32065
  CML DOM 09261310252D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <NSC>
32065

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
127-07-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
CH4N2O2

>  <Molecular Weight (nearest integer)>
76

>  <dtpname:USAN>
Hydroxyurea

>  <dtpname:INN:BAN>
Hydroxycarbamide

>  <dtpname:Brand Name>
Hydrea

>  <dtpname:Chemical Name>
Hydroxylamine, N-carbamoyl-

>  <dtpname:Chemical Name>
Hydroxylamine, N-(aminocarbonyl)-

>  <dtpname:Chemical Name>
N-Carbamoylhydroxylamine

>  <dtpname:Chemical Name>
N-Hydroxyurea

>  <dtpname:Chemical Name>
Hydroxyurea(d4)

>  <dtpname:Chemical Name>
Carbamoyl oxime

>  <dtpname:Chemical Name>
Hydroxyurea (D4)

>  <dtpname:Chemical Name>
Hydroxycarbamine

>  <dtpname:Chemical Name>
Carbamyl hydroxamate

>  <dtpname:Chemical Name>
Carbamohydroximic acid

>  <dtpname:Chemical Name>
Carbamohydroxamic acid

>  <dtpname:Chemical Name>
Carbamohydroxyamic acid

>  <dtpname:Chemical Name>
Onco-carbide

>  <dtpname:Chemical Name>
Biosupressin

>  <dtpname:Chemical Name>
HU

>  <dtpname:Chemical Name>
Hydura

>  <dtpname:Chemical Name>
Hidrix

>  <dtpname:Chemical Name>
Litalir

>  <dtpname:Chemical Name>
SQ 1089

>  <dtpname:Chemical Name>
Litaler

>  <dtpname:Chemical Name>
Hydreia

>  <dtpname:Chemical Name>
Oxyurea

>  <dtpname:Chemical Name>
Hydurea

>  <dtpname:Chemical Name>
SK 22591

>  <dtpname:Chemical Name>
NCI-C04831

>  <dtpname:Chemical Name>
NSC 32065

>  <dtpname:Chemical Name>
HYDROXYUREA

>  <dtpname:Chemical Name>
Hydroxyurea

>  <dtpname:Chemical Name>
Hydroxylurea

>  <dtpname:Chemical Name>
WLN: ZVMQ

>  <dtpname:9th C.I.>
Urea, hydroxy-

>  <dtpname:8th C.I.>
Urea, hydroxy-

$$$$
261726
  CML DOM 09261310252D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.5207   -8.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2558   -1.8394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -3.2660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344   -5.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1657   -4.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7758   -6.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6739   -4.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -5.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4023   -7.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344   -3.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2676   -6.1634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8941   -7.2202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  3  7  1  0  0  0  0
  4 10  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <NSC>
261726

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41729-52-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H6N4O

>  <Molecular Weight (nearest integer)>
150

>  <dtpname:Chemical Name>
ICN 4221

>  <dtpname:Chemical Name>
3-Deazaguanine

>  <dtpname:9th C.I.>
4H-Imidazo[4,5-c]pyridin-4-one, 6-amino-1,5-dihydro-

$$$$
18805
  CML DOM 09261310252D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.7449   -3.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0787   -4.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434   -5.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066   -2.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066   -1.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3566   -5.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580   -3.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2918   -4.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308   -2.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943   -7.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901   -7.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0507   -8.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
18805

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
672-76-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12O2

>  <Molecular Weight (nearest integer)>
164

>  <dtpname:Chemical Name>
THUJAPLICIN, ALPHA

>  <dtpname:Chemical Name>
.gamma.-Thujaplicin

>  <dtpname:Chemical Name>
.gamma.-Thujaplicine

>  <dtpname:Chemical Name>
5-Isopropyltropolone

>  <dtpname:Chemical Name>
WLN: L7VJ BQ EY1&1

>  <dtpname:9th C.I.>
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-

>  <dtpname:8th C.I.>
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-isopropyl-

$$$$
4170
  CML DOM 09261310252D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  2  0  0  0  0
  3 13  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <NSC>
4170

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58-27-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8O2

>  <Molecular Weight (nearest integer)>
172

>  <dtpname:Chemical Name>
MNQ

>  <dtpname:Chemical Name>
Kipca

>  <dtpname:Chemical Name>
Kareon

>  <dtpname:Chemical Name>
Kaykot

>  <dtpname:Chemical Name>
Kanone

>  <dtpname:Chemical Name>
Karcon

>  <dtpname:Chemical Name>
Koaxin

>  <dtpname:Chemical Name>
Juva-K

>  <dtpname:Chemical Name>
Synkay

>  <dtpname:Chemical Name>
Kolklot

>  <dtpname:Chemical Name>
Hemodal

>  <dtpname:Chemical Name>
Mitenon

>  <dtpname:Chemical Name>
Kativ-G

>  <dtpname:Chemical Name>
Kayklot

>  <dtpname:Chemical Name>
K-Vitan

>  <dtpname:Chemical Name>
Aquakay

>  <dtpname:Chemical Name>
Klottone

>  <dtpname:Chemical Name>
Panosine

>  <dtpname:Chemical Name>
Mitenone

>  <dtpname:Chemical Name>
Menadion

>  <dtpname:Chemical Name>
Aquinone

>  <dtpname:Chemical Name>
Kaergona

>  <dtpname:Chemical Name>
Kappaxin

>  <dtpname:Chemical Name>
Prokayvit

>  <dtpname:Chemical Name>
Menadione

>  <dtpname:Chemical Name>
MENADIONE

>  <dtpname:Chemical Name>
Menaphtone

>  <dtpname:Chemical Name>
K-Thrombyl

>  <dtpname:Chemical Name>
Kayquinone

>  <dtpname:Chemical Name>
Menaphthon

>  <dtpname:Chemical Name>
Vitamin K3

>  <dtpname:Chemical Name>
Menaquinone

>  <dtpname:Chemical Name>
Menaphthone

>  <dtpname:Chemical Name>
Usaf ek-5185

>  <dtpname:Chemical Name>
Thyloquinone

>  <dtpname:Chemical Name>
Menaquinone 0

>  <dtpname:Chemical Name>
Vitamin K2(0)

>  <dtpname:Chemical Name>
Kipca-Oil Soluble

>  <dtpname:Chemical Name>
Kipca, oil soluble

>  <dtpname:Chemical Name>
2-Methylnaphthoquinone

>  <dtpname:Chemical Name>
3-Methyl-1,4-naphthoquinone

>  <dtpname:Chemical Name>
2-Methyl-1,4-naphthoquinone

>  <dtpname:Chemical Name>
2-Methyl-1,4-naphthalenedione

>  <dtpname:Chemical Name>
WLN: L66 BV EVJ C1

>  <dtpname:9th C.I.>
1,4-Naphthalenedione, 2-methyl-

>  <dtpname:8th C.I.>
1,4-Naphthoquinone, 2-methyl-

>  <dtpname:VAN>
Kappaxan

>  <dtpname:German Name>
2-Methyl-1,4-naphthochinon

$$$$
326397
  CML DOM 09261310252D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.8901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.8901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    4.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9554    3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
326397

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6478-73-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H4Cl2N2

>  <Molecular Weight (nearest integer)>
187

$$$$
148958
  CML DOM 09261310252D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.1640   -0.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6722   -3.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5814   -2.5081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8804   -0.2581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8804   -6.2581    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4785   -4.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8804   -1.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2823   -1.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8558   -1.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8557    0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2823    0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1795   -4.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8804   -4.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5814   -4.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1795   -2.5081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  8  2  1  6  0  0  0
  3  7  1  0  0  0  0
  8  3  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  2  0  0  0  0
  5 13  1  0  0  0  0
  6 12  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
148958

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
37076-68-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H9FN2O3

>  <Molecular Weight (nearest integer)>
200

>  <dtpname:Chemical Name>
FT 207

>  <dtpname:Chemical Name>
Neberk

>  <dtpname:Chemical Name>
Tegafur

>  <dtpname:Chemical Name>
Citofur

>  <dtpname:Chemical Name>
Ftorafur

>  <dtpname:Chemical Name>
Futraful

>  <dtpname:Chemical Name>
Fluorofur

>  <dtpname:Chemical Name>
Sinoflurol

>  <dtpname:Chemical Name>
Uracil, 5-fluoro-1-(tetrahydro-2-furyl)-

>  <dtpname:9th C.I.>
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-

$$$$
26045
  CML DOM 09261310252D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -8.4554   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682   -1.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6681   -6.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  3  4  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
26045

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6374-92-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H3Cl2NO2

>  <Molecular Weight (nearest integer)>
216

>  <dtpname:Chemical Name>
5,7-Dichloroisatin

>  <dtpname:Chemical Name>
Isatin, 5,7-dichloro-

>  <dtpname:Chemical Name>
5,7-Dichloroindole-2,3-dione

>  <dtpname:9th C.I.>
1H-Indole-2,3-dione, 5,7-dichloro-

>  <dtpname:8th C.I.>
Indole-2,3-dione, 5,7-dichloro-

$$$$
635441
  CML DOM 09261310252D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    3.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
635441

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12N2O3

>  <Molecular Weight (nearest integer)>
220

$$$$
5200
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.5048   -7.7988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8038   -5.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9067   -7.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1029   -4.7988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7962   -5.0358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5357   -3.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2057   -7.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2057   -5.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5048   -4.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0609   -3.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6514   -3.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100   -2.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3909   -1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9495   -1.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   -0.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8038   -7.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1029   -7.7988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5048   -3.2988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  2  4  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
5200

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3054-70-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10N6O

>  <Molecular Weight (nearest integer)>
230

>  <dtpname:Chemical Name>
Py 40

>  <dtpname:Chemical Name>
Py 101

>  <dtpname:Chemical Name>
4-Pyrimidinol, 2,6-diamino-5-phenylazo-

$$$$
66914
  CML DOM 09261310252D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.1716   -3.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -7.7745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  9  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
66914

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58-81-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H7Cl3N2

>  <Molecular Weight (nearest integer)>
226

>  <dtpname:Chemical Name>
Pyrimidine, 2,4,6-trichloro-5-propyl-

$$$$
3970
  CML DOM 09261310252D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -5.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  9  2  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
3970

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66-22-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H4N2O2

>  <Molecular Weight (nearest integer)>
112

>  <dtpname:Chemical Name>
Ura

>  <dtpname:Chemical Name>
Pyrod

>  <dtpname:Chemical Name>
Pirod

>  <dtpname:Chemical Name>
URACIL

>  <dtpname:Chemical Name>
Hybar X

>  <dtpname:Chemical Name>
RU 12709

>  <dtpname:Chemical Name>
2,4-Pyrimidinediol

>  <dtpname:Chemical Name>
2,4-Pyrimidinedione

>  <dtpname:Chemical Name>
2,4-Dioxopyrimidine

>  <dtpname:Chemical Name>
2,4-Dihydroxypyrimidine

>  <dtpname:9th C.I.>
2,4(1H,3H)-Pyrimidinedione

>  <dtpname:8th C.I.>
Uracil

>  <dtpname:VAN>
Uracil

$$$$
285166
  CML DOM 09261310252D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -6.5056   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5056   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2066   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2066   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3095   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3095   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <NSC>
285166

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
148-24-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7NO

>  <Molecular Weight (nearest integer)>
145

>  <dtpname:Chemical Name>
Oxin

>  <dtpname:Chemical Name>
8-OQ

>  <dtpname:Chemical Name>
Oxine

>  <dtpname:Chemical Name>
Tumex

>  <dtpname:Chemical Name>
Albisal

>  <dtpname:Chemical Name>
8-Quinol

>  <dtpname:Chemical Name>
Oxychinolin

>  <dtpname:Chemical Name>
Quinophenol

>  <dtpname:Chemical Name>
Oxyquinoline

>  <dtpname:Chemical Name>
8-Quinolinol

>  <dtpname:Chemical Name>
Fennosan H 30

>  <dtpname:Chemical Name>
Phenopyridine

>  <dtpname:Chemical Name>
8-Oxyquinoline

>  <dtpname:Chemical Name>
8-Hydroxychinolin

>  <dtpname:Chemical Name>
8-Hydroxyquinoline

>  <dtpname:Chemical Name>
1-Azanaphthalene-8-ol

$$$$
37364
  CML DOM 09261310252D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.5062    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8053    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5309    3.4635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9944    4.8901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5309    1.0365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8053    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1043    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1043    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4126    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8053    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3  4  1  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
37364

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
20535-83-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H7N5O

>  <Molecular Weight (nearest integer)>
165

>  <dtpname:Chemical Name>
6-METHOXYGUANINE

>  <dtpname:Chemical Name>
6-Methoxyguanine

>  <dtpname:Chemical Name>
O6-Methylguanine

>  <dtpname:Chemical Name>
2-Amino-6-methoxypurine

>  <dtpname:9th C.I.>
1H-Purin-2-amine, 6-methoxy-

>  <dtpname:8th C.I.>
Purine, 2-amino-6-methoxy-

$$$$
4857
  CML DOM 09261310252D

  9  7  0  0  0  0  0  0  0  0999 V2000
   -0.2746   -1.0246    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.6987   -5.0222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4487   -3.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1987   -5.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4487   -3.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9487   -3.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4487   -6.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9487   -6.3212    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987   -7.6203    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  1   1   1
M  END
>  <NSC>
4857

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
148-18-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H11NS2.Na

>  <Molecular Weight (nearest integer)>
172

>  <dtpname:Chemical Name>
DDC

>  <dtpname:Chemical Name>
DTC

>  <dtpname:Chemical Name>
DEDC

>  <dtpname:Chemical Name>
DEDK

>  <dtpname:Chemical Name>
Cupral

>  <dtpname:Chemical Name>
GS 694A

>  <dtpname:Chemical Name>
Thiocarb

>  <dtpname:Chemical Name>
Dithiocarb

>  <dtpname:Chemical Name>
NCI Co2835

>  <dtpname:Chemical Name>
Sodium DEDT

>  <dtpname:Chemical Name>
Usaf ek-2596

>  <dtpname:Chemical Name>
Dithiocarbamate

>  <dtpname:Chemical Name>
Sodium diethylaminodithioate

>  <dtpname:Chemical Name>
Sodium diethyldithiocarbamate

>  <dtpname:Chemical Name>
Diethyldithiocarbamate, sodium

>  <dtpname:Chemical Name>
Sodium diethyldithiocarbamaate

>  <dtpname:Chemical Name>
Diethyl sodium dithiocarbamate

>  <dtpname:Chemical Name>
Sodium N,N-diethyldithiocarbmate

>  <dtpname:Chemical Name>
Sodium diethylaminocarbodithioate

>  <dtpname:Chemical Name>
Sodium N,N-diethyldithiocarbamate

>  <dtpname:Chemical Name>
Diethyldithiocarbamic acid, sodium

>  <dtpname:Chemical Name>
Diethyl dithiocarbamate sodium salt

>  <dtpname:Chemical Name>
Diethyldithiocarbamic acid sodium salt

>  <dtpname:Chemical Name>
Diethyldithiocarbamic acid, sodium salt

>  <dtpname:Chemical Name>
Diethylcarbamodithioic acid, sodium salt

>  <dtpname:Chemical Name>
N,N-Diethyldithiocarbamic acid, sodium salt

>  <dtpname:Chemical Name>
Sodium salt of N,N-diethyldithiocarbamic acid

>  <dtpname:Chemical Name>
WLN: SUYSHN2 & 2 &-NA-

>  <dtpname:9th C.I.>
Carbamodithioic acid, diethyl-, sodium salt

>  <dtpname:8th C.I.>
Carbamic acid, diethyldithio-, sodium salt

$$$$
369317
  CML DOM 09261310252D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.0490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    4.6471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <NSC>
369317

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
79174-47-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H5FN2S

>  <Molecular Weight (nearest integer)>
180

$$$$
176324
  CML DOM 09261310252D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.9128    3.4599    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3309    0.8198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5445   -0.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7211   -1.0703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1846    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7945    2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2945    2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7580    0.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    3.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1883   -0.7584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2993    1.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7259    0.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9874    2.8272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  5  4  1  6  0  0  0
  8  5  1  1  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
176324

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H7ClN2O4

>  <Molecular Weight (nearest integer)>
195

>  <dtpname:Chemical Name>
Hydroxy AT 125

>  <dtpname:Chemical Name>
5-Isoxazoleacetic acid, .alpha.-amino-3-chloro-4,5-dihydro-4-hydroxy-

>  <dtpname:Chemical Name>
5-Isoxazoleacetic acid, .alpha.-amino-3-chloro-4,5-dihydro-4-hydroxy-, (4R-(4.alpha.,5.beta.(S*)))-

>  <dtpname:Chemical Name>
5-isoxazolecetic Acid, .alpha.-amino-3-chloro-4,5-dihydro-4-hydrxoxy-, [4R-[4.alpha.,5.beta.(S*)]]-

$$$$
107415
  CML DOM 09261310252D

 16 19  0  0  0  0  0  0  0  0999 V2000
    4.7670    0.4191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0624    1.3789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7025    1.7971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4890    0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4890   -0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0624   -1.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1807    0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0660    1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5706   -1.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0660    2.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7670    3.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4523   -2.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4679    2.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0789   -1.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9605   -2.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4679    1.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
107415

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
884-68-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H15NO2

>  <Molecular Weight (nearest integer)>
217

>  <dtpname:Chemical Name>
Allosecurinin

>  <dtpname:Chemical Name>
Allosecurinine

>  <dtpname:Chemical Name>
Phyllochrysine

>  <dtpname:9th C.I.>
Securinan-11-one, (2.alpha.)-

>  <dtpname:8th C.I.>
2-Allosecurinine

$$$$
635975
  CML DOM 09261310252D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -6.4574    0.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063    0.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2945   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2339   -1.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7850   -1.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3967   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7434   -1.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8041   -0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1923   -1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1316   -2.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479    0.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8872   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8872   -2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872   -2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872   -0.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
635975

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H18O2

>  <Molecular Weight (nearest integer)>
206

$$$$
7210
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -4.6471   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2 15  2  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  2  0  0  0  0
  4  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <NSC>
7210

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
117-10-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H8O4

>  <Molecular Weight (nearest integer)>
240

>  <dtpname:Chemical Name>
LTAN

>  <dtpname:Chemical Name>
Altan

>  <dtpname:Chemical Name>
Istin

>  <dtpname:Chemical Name>
Laxipur

>  <dtpname:Chemical Name>
Regulin

>  <dtpname:Chemical Name>
Danivac

>  <dtpname:Chemical Name>
Dantron

>  <dtpname:Chemical Name>
Dionone

>  <dtpname:Chemical Name>
Dorbane

>  <dtpname:Chemical Name>
Istizin

>  <dtpname:Chemical Name>
Dorbanex

>  <dtpname:Chemical Name>
Diaquone

>  <dtpname:Chemical Name>
Laxanorm

>  <dtpname:Chemical Name>
Danthron

>  <dtpname:Chemical Name>
Zwitsalax

>  <dtpname:Chemical Name>
Chrysazin

>  <dtpname:Chemical Name>
Laxipurin

>  <dtpname:Chemical Name>
Antrapurol

>  <dtpname:Chemical Name>
Usaf nd-59

>  <dtpname:Chemical Name>
Laxanthreen

>  <dtpname:Chemical Name>
component of Doxan

>  <dtpname:Chemical Name>
component of Modane

>  <dtpname:Chemical Name>
component of Doxidan

>  <dtpname:Chemical Name>
component of Dorbantyl

>  <dtpname:Chemical Name>
1,8-Dihydroxyanthraquinone

>  <dtpname:Chemical Name>
1,8-Dihydroxy-9,10-anthraquinone

>  <dtpname:Chemical Name>
WLN: L C666 BV IVJ DQ NQ

>  <dtpname:9th C.I.>
9,10-Anthracenedione, 1,8-dihydroxy-

>  <dtpname:8th C.I.>
Anthraquinone, 1,8-dihydroxy-

>  <dtpname:Czech Name>
1,8-Dihydroxyanthrachinon

$$$$
86100
  CML DOM 09261310252D

 19 22  0  0  0  0  0  0  0  0999 V2000
  -10.3563   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700   -1.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -3.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -6.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -6.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0573   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
86100

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4238-67-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N2

>  <Molecular Weight (nearest integer)>
234

$$$$
4728
  CML DOM 09261310252D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -1.3571   -0.9776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2600    1.1873    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5950    0.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8030    0.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2840    0.3670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <NSC>
4728

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4005-51-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C2H3N3S

>  <Molecular Weight (nearest integer)>
101

>  <dtpname:Chemical Name>
ATDA

>  <dtpname:Chemical Name>
X 26

>  <dtpname:Chemical Name>
TF 128

>  <dtpname:Chemical Name>
NSC 4728

>  <dtpname:Chemical Name>
FDA 0084

>  <dtpname:Chemical Name>
Aminothiadiazole

>  <dtpname:Chemical Name>
2-Aminothiadiazole

>  <dtpname:Chemical Name>
2-AMINOTHIADIAZOLE

>  <dtpname:Chemical Name>
2-Amino-1,3,4-thiadiazole

>  <dtpname:Chemical Name>
2-Amino-1-thia-3,4-diazole

>  <dtpname:Chemical Name>
1,3,4-Thiadiazole, 2-amino

>  <dtpname:9th C.I.>
1,3,4-Thiadiazol-2-amine

>  <dtpname:8th C.I.>
1,3,4-Thiadiazole, 2-amino-

$$$$
626433
  CML DOM 09261310252D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.0356    1.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5356    1.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9991    0.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4257   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7376   -1.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5404    0.7454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7856   -0.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5721    0.2052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1539    2.8454    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7640    4.2157    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6622    2.6886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  CHG  2   9   1  10  -1
M  END
>  <NSC>
626433

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H2N2O4

>  <Molecular Weight (nearest integer)>
142

>  <dtpname:Chemical Name>
3-Nitro-5-formylisoxazole

$$$$
349438
  CML DOM 09261310252D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -8.9609    0.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1744   -0.7669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7109   -2.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2109   -2.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7474   -0.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3208   -0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2061   -1.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0089    1.1638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795   -0.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6648   -1.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9766   -3.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2382   -1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
349438

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
55659-41-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12O3

>  <Molecular Weight (nearest integer)>
168

>  <dtpname:Chemical Name>
4-IPOMEANOL

>  <dtpname:Chemical Name>
4-IPOMEANOL

>  <dtpname:Chemical Name>
4-Ipomeanol

>  <dtpname:Chemical Name>
1-Pentanone, 1-(3-furanyl)-4-hydroxy-

$$$$
11897
  CML DOM 09261310252D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -4.4224   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7214   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3195   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7214   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3195   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4 13  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <NSC>
11897

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
483-55-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8O3

>  <Molecular Weight (nearest integer)>
188

>  <dtpname:Chemical Name>
Phthiokol

>  <dtpname:Chemical Name>
PHTHIOCOL

>  <dtpname:Chemical Name>
Phthiocol

>  <dtpname:Chemical Name>
3-Hydroxy-2-methyl-1,4-naphthoquinone

>  <dtpname:Chemical Name>
2-Hydroxy-3-methyl-1,4-naphthoquinone

>  <dtpname:Chemical Name>
2-Methyl-3-hydroxy-1,4-naphthoquinone

>  <dtpname:Chemical Name>
WLN: L66 BV EVJ CQ D1

>  <dtpname:9th C.I.>
1,4-Naphthalenedione, 2-hydroxy-3-methyl-

>  <dtpname:8th C.I.>
1,4-Naphthoquinone, 2-hydroxy-3-methyl-

$$$$
369318
  CML DOM 09261310252D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    4.6471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  3  0  0  0  0
M  END
>  <NSC>
369318

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H10N2S

>  <Molecular Weight (nearest integer)>
190

$$$$
620050
  CML DOM 09261310252D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
620050

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10O3S

>  <Molecular Weight (nearest integer)>
198

$$$$
128734
  CML DOM 09261310252D

 17 20  0  0  0  0  0  0  0  0999 V2000
  -10.3418   -2.2391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3171   -0.2755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3171   -2.7026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7070   -4.0729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2152   -4.2297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5702   -0.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9601   -1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0620   -0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8417   -3.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9436   -1.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3335   -3.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4354   -1.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0427    0.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3418   -0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7437   -0.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7437   -2.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0427   -2.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  1 14  1  0  0  0  0
  2 12  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
128734

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
18091-77-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H7N5

>  <Molecular Weight (nearest integer)>
221

>  <dtpname:Chemical Name>
Pyrido[4',3':4,5]imidazo[1,2-c][1,2,3]benzotriazine

$$$$
657449
  CML DOM 09261310252D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
657449

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H8N2O3S

>  <Molecular Weight (nearest integer)>
212

$$$$
7833
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2 15  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <NSC>
7833

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
128-95-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10N2O2

>  <Molecular Weight (nearest integer)>
238

>  <dtpname:Chemical Name>
C.I. 61100

>  <dtpname:Chemical Name>
Krisolamine

>  <dtpname:Chemical Name>
Oil Violet R

>  <dtpname:Chemical Name>
Seacyl Violet R

>  <dtpname:Chemical Name>
Grasol Violet R

>  <dtpname:Chemical Name>
Setacyl Violet R

>  <dtpname:Chemical Name>
Oracet Violet 2R

>  <dtpname:Chemical Name>
Gracet Violet 2R

>  <dtpname:Chemical Name>
Setile Violet 3R

>  <dtpname:Chemical Name>
Nacelan Violet 4R

>  <dtpname:Chemical Name>
Duranol Violet 2R

>  <dtpname:Chemical Name>
Cibacet Violet 2R

>  <dtpname:Chemical Name>
Resiren Violet TR

>  <dtpname:Chemical Name>
Solvent Violet 11

>  <dtpname:Chemical Name>
Disperse Violet K

>  <dtpname:Chemical Name>
Cibacet Violet E2R

>  <dtpname:Chemical Name>
Perliton Violet 3R

>  <dtpname:Chemical Name>
Artisil Violet 2RP

>  <dtpname:Chemical Name>
Setacyl Violet P-R

>  <dtpname:Chemical Name>
Cibacete Violet 2R

>  <dtpname:Chemical Name>
Amacel Heliotrope R

>  <dtpname:Chemical Name>
Dispersive Violet K

>  <dtpname:Chemical Name>
Acetate Red Violet R

>  <dtpname:Chemical Name>
Nyloquinone Violet R

>  <dtpname:Chemical Name>
Lurafix Red Violet RN

>  <dtpname:Chemical Name>
Microsetile Violet 3R

>  <dtpname:Chemical Name>
Sectacyl Violet propyl

>  <dtpname:Chemical Name>
C.I. Disperse Violet 1

>  <dtpname:Chemical Name>
C.I. Disperse Violet 9

>  <dtpname:Chemical Name>
C.I. Solvent Violet 11

>  <dtpname:Chemical Name>
Celliton Fast Violet R

>  <dtpname:Chemical Name>
Celutate Red Violet RH

>  <dtpname:Chemical Name>
Fenacet Fast Violet 5R

>  <dtpname:Chemical Name>
Cilla Fast Red Violet RN

>  <dtpname:Chemical Name>
Celliton Fast Red Violet

>  <dtpname:Chemical Name>
Celanthrene Red Violet R

>  <dtpname:Chemical Name>
Amaplast Red Violet P 2R

>  <dtpname:Chemical Name>
1,4-Diaminoanthraquinone

>  <dtpname:Chemical Name>
Miketon Fast Red Violet R

>  <dtpname:Chemical Name>
Artisil Direct Violet 2RP

>  <dtpname:Chemical Name>
1,4-Anthraquinonyldiamine

>  <dtpname:Chemical Name>
Mideton Fast Red Violet R

>  <dtpname:Chemical Name>
Diacelliton Fast Violet 5R

>  <dtpname:Chemical Name>
Acetylon Fast Red Violet R

>  <dtpname:Chemical Name>
Interchem Acetate Violet R

>  <dtpname:Chemical Name>
Serisol Brilliant Violet 2R

>  <dtpname:Chemical Name>
Celliton Fast Red Violet RN

>  <dtpname:Chemical Name>
Supracet Brilliant Violet 3R

>  <dtpname:Chemical Name>
Interchem Hisperse Violet 2RH

>  <dtpname:Chemical Name>
1,4-Diamino-9,10-anthraquinone

>  <dtpname:Chemical Name>
1,4-Diamino-9-10-anthraquinone

>  <dtpname:Chemical Name>
Duranol Violet 2R, 1,4-diamino-

>  <dtpname:Chemical Name>
Celliton Fast Red Violet RNA-CF

>  <dtpname:Chemical Name>
Acetoquinone Light Heliotrope NL

>  <dtpname:Chemical Name>
Interchem Acetate Red Violet RRLF

>  <dtpname:Chemical Name>
WLN: L C666 BV IVJ DZ GZ

>  <dtpname:9th C.I.>
9,10-Anthracenedione, 1,4-diamino-

>  <dtpname:8th C.I.>
Anthraquinone, 1,4-diamino-

>  <dtpname:Czech Name>
1,4-Diaminoanthrachinon

$$$$
87206
  CML DOM 09261310252D

 19 22  0  0  0  0  0  0  0  0999 V2000
  -10.3563   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700   -1.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -3.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -6.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -6.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0573   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
87206

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4238-66-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H12N2

>  <Molecular Weight (nearest integer)>
232

>  <dtpname:Chemical Name>
11-Dimethylellipticine

>  <dtpname:Chemical Name>
Ellipticine, 11-demethyl-

>  <dtpname:9th C.I.>
6H-Pyrido[4,3-b]carbazole, 5-methyl-

>  <dtpname:8th C.I.>
6H-Pyrido[4,3-b]carbazole, 5-methyl-

$$$$
4960
  CML DOM 09261310252D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.8726   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <NSC>
4960

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
150-76-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H8O2

>  <Molecular Weight (nearest integer)>
124

>  <dtpname:Chemical Name>
MME

>  <dtpname:Chemical Name>
HQMME

>  <dtpname:Chemical Name>
Mequinol

>  <dtpname:Chemical Name>
Usaf an-7

>  <dtpname:Chemical Name>
Leucobasal

>  <dtpname:Chemical Name>
p-Guaiacol

>  <dtpname:Chemical Name>
Mechinolum

>  <dtpname:Chemical Name>
Leucodine B

>  <dtpname:Chemical Name>
p-Methoxyphenol

>  <dtpname:Chemical Name>
4-Methoxyphenol

>  <dtpname:Chemical Name>
p-Hydroxyanisole

>  <dtpname:Chemical Name>
4-Hydroxyanisole

>  <dtpname:Chemical Name>
Novo-Dermoquinona

>  <dtpname:Chemical Name>
Hydroquinone methyl ether

>  <dtpname:Chemical Name>
1-Hydroxy-4-methoxybenzene

>  <dtpname:Chemical Name>
Hydroquinone monomethyl ether

>  <dtpname:Chemical Name>
Monomethyl ether hydroquinone

>  <dtpname:Chemical Name>
WLN: QR DO1

>  <dtpname:9th C.I.>
Phenol, 4-methoxy-

>  <dtpname:8th C.I.>
Phenol, p-methoxy-

$$$$
635968
  CML DOM 09261310252D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.3579    0.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1372    0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9179    1.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146   -1.0010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764   -1.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045   -1.1973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977   -3.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348    1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375    2.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090    1.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
635968

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H11NO2

>  <Molecular Weight (nearest integer)>
141

$$$$
400944
  CML DOM 09261310252D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -5.4707   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 12  2  0  0  0  0
  3 10  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
400944

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7467-33-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H5NO2

>  <Molecular Weight (nearest integer)>
159

>  <dtpname:Chemical Name>
5,6-Quinolinedione

$$$$
45388
  CML DOM 09261310252D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -5.6825   -7.4612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2687   -7.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8015   -7.5193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1288   -4.5381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3706   -5.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8788   -5.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3834   -8.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3743   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8415   -5.1911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9108   -3.4527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288   -4.5381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8788   -3.2391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6212   -3.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
45388

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4342-03-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H10N6O

>  <Molecular Weight (nearest integer)>
182

>  <dtpname:USAN>
Dacarbazine

>  <dtpname:Brand Name>
DTIC-Dome

>  <dtpname:Chemical Name>
DTIC

>  <dtpname:Chemical Name>
Imidazole carboxamide

>  <dtpname:Chemical Name>
4-(Dimethyltriazeno)imidazole-5-carboxamide

>  <dtpname:Chemical Name>
Di-me-triazenoimidazolecarboxamide

>  <dtpname:Chemical Name>
Dimethyltriazenoimidazolecarboxamide

>  <dtpname:Chemical Name>
(Dimethyltriazeno)imidazolecarboxamide

>  <dtpname:Chemical Name>
5-(Dimethyltriazeno)imidazole-4-carboxamide

>  <dtpname:Chemical Name>
5-(Dimethyltriazeno)imidazole-4-carboximide

>  <dtpname:Chemical Name>
5-(3,3-Dimethyltriazeno)imidazole-4-carboxamide

>  <dtpname:Chemical Name>
5-(3,3-Dimethyl-1-triazeno)imidazole-4-carboxamide

>  <dtpname:Chemical Name>
4-(3,3-Dimethyl-1-triazeno)imidazole-5-carboxamide

>  <dtpname:Chemical Name>
Carboxamide, 5-(3,3-dimethyl-1-triazeno)imidazole-4-

>  <dtpname:Chemical Name>
4(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide

>  <dtpname:Chemical Name>
4-(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide

>  <dtpname:Chemical Name>
4-(or 5)-(3,3-Dimethyl-1-triazeno)imidazole-5(or 4)-carboxamide

>  <dtpname:Chemical Name>
Imidazole-4(or 5)-carboxamide, 5(or 4)-(3,3-dimethyl-1-triazeno)-

>  <dtpname:Chemical Name>
DIC

>  <dtpname:Chemical Name>
ICDT

>  <dtpname:Chemical Name>
DTIE

>  <dtpname:Chemical Name>
ICDMT

>  <dtpname:Chemical Name>
Deticene

>  <dtpname:Chemical Name>
DACARBAZINE

>  <dtpname:Chemical Name>
NSC 45388

>  <dtpname:Chemical Name>
NCI-C04717

>  <dtpname:Chemical Name>
WLN: T5M CNJ DVZ ENUNN1&1

>  <dtpname:9th C.I.>
1H-Imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazenyl)-

>  <dtpname:8th C.I.>
Imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazeno)-

$$$$
625639
  CML DOM 09261310252D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
625639

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10N2O2

>  <Molecular Weight (nearest integer)>
178

$$$$
625748
  CML DOM 09261310252D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -2.0490    7.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    6.6213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    5.1213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    4.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.1213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    6.6213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    8.8713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    2.8713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1097    9.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    9.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1097    1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    1.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   10.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
625748

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H12N6

>  <Molecular Weight (nearest integer)>
192

>  <dtpname:Chemical Name>
1,2,4,5-tetrazine, 3,6-bis(1-azetidinyl)-

$$$$
132493
  CML DOM 09261310252D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2 12  2  0  0  0  0
  3 10  2  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
132493

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61895-38-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N2O3

>  <Molecular Weight (nearest integer)>
218

>  <dtpname:Chemical Name>
5,8-Quinolinedione, 7-amino-6-methoxy-2-methyl-

$$$$
666526
  CML DOM 09261310252D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5607    5.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6213    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1213    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5607    3.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.5258    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6213    2.5258    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
666526

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H16Cl2O

>  <Molecular Weight (nearest integer)>
223

$$$$
11905
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4 13  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
11905

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
84-79-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14O3

>  <Molecular Weight (nearest integer)>
242

>  <dtpname:Chemical Name>
Lapachol

>  <dtpname:Chemical Name>
LAPACHOL

>  <dtpname:Chemical Name>
NSC 11905

>  <dtpname:Chemical Name>
Taigu Wood

>  <dtpname:Chemical Name>
C.I. 75490

>  <dtpname:Chemical Name>
Greenhartin

>  <dtpname:Chemical Name>
Taiguic acid

>  <dtpname:Chemical Name>
Lapachol Wood

>  <dtpname:Chemical Name>
Bethabarra Wood

>  <dtpname:Chemical Name>
Ipe-tobacco Wood

>  <dtpname:Chemical Name>
C.I. Natural Yellow 16

>  <dtpname:Chemical Name>
Surinam Greenheart Wood

>  <dtpname:Chemical Name>
2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone

>  <dtpname:Chemical Name>
WLN: L66 BV EVJ CQ D2UY1&1

>  <dtpname:9th C.I.>
1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)-

>  <dtpname:8th C.I.>
1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-

>  <dtpname:VAN>
Tecomin

$$$$
99027
  CML DOM 09261310252D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -9.8433   -1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
99027

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53878-12-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H7BrO2

>  <Molecular Weight (nearest integer)>
239

$$$$
5354
  CML DOM 09261310252D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.2522   -2.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468   -3.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513   -3.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513   -4.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468   -4.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2522   -5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2522   -1.0631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8503   -2.5631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <NSC>
5354

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
95-54-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H8N2

>  <Molecular Weight (nearest integer)>
108

>  <dtpname:Chemical Name>
PODA

>  <dtpname:Chemical Name>
OPDA

>  <dtpname:Chemical Name>
EK 1700

>  <dtpname:Chemical Name>
SQ 15500

>  <dtpname:Chemical Name>
Orthamine

>  <dtpname:Chemical Name>
C.I. 76010

>  <dtpname:Chemical Name>
2-Aminoaniline

>  <dtpname:Chemical Name>
o-Diaminobenzene

>  <dtpname:Chemical Name>
o-Benzenediamine

>  <dtpname:Chemical Name>
1,2-Diaminobenzene

>  <dtpname:Chemical Name>
1,2-Phenylenediamine

>  <dtpname:Chemical Name>
C.I. Oxidation Base 16

>  <dtpname:Chemical Name>
WLN: ZR BZ

>  <dtpname:9th C.I.>
1,2-Benzenediamine

>  <dtpname:8th C.I.>
o-Phenylenediamine

$$$$
749
  CML DOM 09261310252D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.2123   -5.5193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816   -7.2577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721   -2.9780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820   -8.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721   -3.8347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721   -2.3347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2221   -6.1430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6857   -4.7164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086   -4.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -4.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7221   -6.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7488   -6.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7525   -8.0606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2  4  1  0  0  0  0
  3  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
749

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
134-58-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H4N6O

>  <Molecular Weight (nearest integer)>
152

>  <dtpname:Chemical Name>
AZG

>  <dtpname:Chemical Name>
Azan

>  <dtpname:Chemical Name>
8 AG

>  <dtpname:Chemical Name>
SK 1150

>  <dtpname:Chemical Name>
NSC-749

>  <dtpname:Chemical Name>
Guanazol

>  <dtpname:Chemical Name>
Guanazolo

>  <dtpname:Chemical Name>
Pathocidin

>  <dtpname:Chemical Name>
PATHOCIDIN

>  <dtpname:Chemical Name>
Azaguanine

>  <dtpname:Chemical Name>
Pathocidine

>  <dtpname:Chemical Name>
8-Azaguanine

>  <dtpname:Chemical Name>
8-AZAGUANINE

>  <dtpname:Chemical Name>
AZAGUANINE,8

>  <dtpname:Chemical Name>
Triazologuanine

>  <dtpname:Chemical Name>
v-Triazolo[4,5-d]pyrimidin-7-ol, 5-amino-

>  <dtpname:Chemical Name>
WLN: T56 BNNM FVM INJ HZ

>  <dtpname:9th C.I.>
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-1,4-dihydro-

>  <dtpname:8th C.I.>
7H-v-Triazolo[4,5-d]pyrimidin-7-one, 5-amino-1,6-dihydro-

$$$$
603719
  CML DOM 09261310252D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -5.8573   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1317   -3.4635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4554   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <NSC>
603719

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H5NO3

>  <Molecular Weight (nearest integer)>
151

$$$$
51148
  CML DOM 09261310252D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -2.5245   -0.2745    0.0000 Cd  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745    1.0245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -0.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
>  <NSC>
51148

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10108-64-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
CdCl2

>  <Molecular Weight (nearest integer)>
183

>  <dtpname:Chemical Name>
Caddy

>  <dtpname:Chemical Name>
Vi-Cad

>  <dtpname:Chemical Name>
Dichlorocadmium

>  <dtpname:Chemical Name>
Cadmium chloride

>  <dtpname:Chemical Name>
Cadmium dichloride

>  <dtpname:Chemical Name>
WLN: CD G2

>  <dtpname:9th C.I.>
Cadmium chloride (CdCl2)

>  <dtpname:8th C.I.>
Cadmium chloride

>  <dtpname:German Name>
Kadmiumchlorid

$$$$
61805
  CML DOM 09261310252D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -2.0834   -0.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    2.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235    0.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648   -2.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2466    1.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4877    1.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6387    0.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1783   -0.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812   -1.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9727   -1.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6633   -0.9420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1809    2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5889   -2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
 11  1  1  1  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  6  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  6  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
61805

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
56-25-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12O4

>  <Molecular Weight (nearest integer)>
196

>  <dtpname:Chemical Name>
CAN

>  <dtpname:Chemical Name>
Kantaridin

>  <dtpname:Chemical Name>
Cantharone

>  <dtpname:Chemical Name>
Cantharidin

>  <dtpname:Chemical Name>
CANTHARIDIN

>  <dtpname:Chemical Name>
Cantharidine

>  <dtpname:Chemical Name>
Cantharides camphor

>  <dtpname:Chemical Name>
1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride

>  <dtpname:Chemical Name>
exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride

>  <dtpname:Chemical Name>
Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione

>  <dtpname:Chemical Name>
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-

>  <dtpname:Chemical Name>
2,3-Dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride

>  <dtpname:Chemical Name>
WLN: T C555 A AO DVOVTJ C1 G1

>  <dtpname:9th C.I.>
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-

>  <dtpname:8th C.I.>
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl-

$$$$
664298
  CML DOM 09261310252D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537    3.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672    1.5082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7221    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0211    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9182    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6192    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6192    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9182    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7221    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <NSC>
664298

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H16N2O

>  <Molecular Weight (nearest integer)>
204

$$$$
166464
  CML DOM 09261310252D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.7500   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
166464

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27978-30-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10ClNOS

>  <Molecular Weight (nearest integer)>
216

>  <dtpname:Chemical Name>
Acetamide, 2-chloro-N-[4-(methylthio)phenyl]-

$$$$
688795
  CML DOM 09261310252D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
688795

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12O4

>  <Molecular Weight (nearest integer)>
220

$$$$
18938
  CML DOM 09261310252D

 17 16  0  0  0  0  0  0  0  0999 V2000
    3.2745    1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    1.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2745   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0245   -4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5245   -4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2745   -6.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7745   -6.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5245   -7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0245   -7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
18938

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2507-55-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H28O3

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:Chemical Name>
2-Hydroxymyristic acid

>  <dtpname:Chemical Name>
2-Hydroxytetradecanoic acid

>  <dtpname:Chemical Name>
.alpha.-Hydroxymyristic acid

>  <dtpname:Chemical Name>
TETRADECANOIC ACID, 2-HYDROXY

>  <dtpname:9th C.I.>
Tetradecanoic acid, 2-hydroxy-

>  <dtpname:8th C.I.>
Tetradecanoic acid, 2-hydroxy-

$$$$
126849
  CML DOM 09261310252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.1682   -7.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3817   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3817   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9798   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3817   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3817   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952   -7.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1317   -9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317   -9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3601  -11.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134  -10.2718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -10.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0218   -7.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
126849

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
39935-49-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13NO6

>  <Molecular Weight (nearest integer)>
243

>  <dtpname:Chemical Name>
DAU

>  <dtpname:Chemical Name>
DeazaUrd

>  <dtpname:Chemical Name>
ICN 1007

>  <dtpname:Chemical Name>
3-DEAZAURIDINE

>  <dtpname:Chemical Name>
3-Deazauridine

>  <dtpname:9th C.I.>
2,4(1H,3H)-Pyridinedione, 1-.beta.-D-ribofuranosyl-

$$$$
89303
  CML DOM 09261310252D

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.3987    4.9387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2260    4.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8745    4.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231    4.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5598    2.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893    2.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245    1.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1245    1.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0222    2.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <NSC>
89303

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
533-75-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6O2

>  <Molecular Weight (nearest integer)>
122

>  <dtpname:Chemical Name>
Purpurocatechol

>  <dtpname:9th C.I.>
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-

>  <dtpname:8th C.I.>
Tropolone

$$$$
755
  CML DOM 09261310252D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.2292   -4.6857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110   -2.1444    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7015   -6.4242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650   -7.8507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -3.0012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -1.5012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2052   -5.3094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7745   -3.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417   -3.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052   -5.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688   -3.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2343   -6.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <NSC>
755

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
50-44-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H4N4S

>  <Molecular Weight (nearest integer)>
152

>  <dtpname:USAN>
Mercaptopurine

>  <dtpname:Chemical Name>
6-Purinethiol

>  <dtpname:Chemical Name>
6-Mercaptopurine

>  <dtpname:Chemical Name>
6-Thiopurine

>  <dtpname:Chemical Name>
Purinethol

>  <dtpname:Chemical Name>
6-MP

>  <dtpname:Chemical Name>
3H-Purine-6-thiol

>  <dtpname:Chemical Name>
Purine, 6-mercapto-

>  <dtpname:Chemical Name>
7-Mercapto-1,3,4,6-tetrazaindene

>  <dtpname:Chemical Name>
Ismipur

>  <dtpname:Chemical Name>
MP

>  <dtpname:Chemical Name>
Leukeran

>  <dtpname:Chemical Name>
Leukerin

>  <dtpname:Chemical Name>
Leupurin

>  <dtpname:Chemical Name>
Purine-6-thiol, monohydrate

>  <dtpname:Chemical Name>
Mercapurin

>  <dtpname:Chemical Name>
Purimethol

>  <dtpname:Chemical Name>
Mercaleukin

>  <dtpname:Chemical Name>
Mern

>  <dtpname:Chemical Name>
6-Thioxopurine

>  <dtpname:Chemical Name>
U-4748

>  <dtpname:Chemical Name>
6-Mercaptopurin

>  <dtpname:Chemical Name>
NCI-C04886

>  <dtpname:Chemical Name>
6 MP

>  <dtpname:Chemical Name>
Puri-Nethol

>  <dtpname:Chemical Name>
Mercaleukim

>  <dtpname:Chemical Name>
NSC 755

>  <dtpname:Chemical Name>
WLN: T56 BM DN FN HNJ ISH

>  <dtpname:Chemical Name>
6-MERCAPTOPURINE

>  <dtpname:9th C.I.>
6H-Purine-6-thione, 1,7-dihydro-

>  <dtpname:8th C.I.>
Purine-6-thiol

>  <dtpname:VAN>
Purinethiol

>  <dtpname:VAN>
Hypoxanthine, thio-

$$$$
614928
  CML DOM 09261310252D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.7804    2.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5669    3.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0304    4.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304    4.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9940    3.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1403    2.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0304    5.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5304    4.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    5.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9570    4.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4205    2.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <NSC>
614928

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H16O3

>  <Molecular Weight (nearest integer)>
160

>  <dtpname:Chemical Name>
Furan, 2,5-dihydroxy-3,3,4,4-tetramethyl-

$$$$
54297
  CML DOM 09261310252D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.6205   -1.0337    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2962    1.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9629    1.1671    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4113    0.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4880   -0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870   -1.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1444   -0.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3536   -0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1721   -1.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6972    0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9542    1.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
54297

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
28989-50-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H6N2S2

>  <Molecular Weight (nearest integer)>
182

$$$$
95580
  CML DOM 09261310252D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
95580

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3073-59-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H20N2O2

>  <Molecular Weight (nearest integer)>
200

>  <dtpname:Chemical Name>
HMBA

>  <dtpname:Chemical Name>
HMBA

>  <dtpname:Chemical Name>
Hexamethylenediacetamide

>  <dtpname:Chemical Name>
HEXAMETHYLENEBISACETAMIDE

>  <dtpname:Chemical Name>
Hexamethylene bisacetamide

>  <dtpname:Chemical Name>
N,N'-Hexamethylenebisacetamide

>  <dtpname:Chemical Name>
N,N'-Diacetylhexamethylenediamine

>  <dtpname:9th C.I.>
Acetamide, N,N'-1,6-hexanediylbis-

>  <dtpname:8th C.I.>
Acetamide, N,N'-hexamethylenebis-

$$$$
673912
  CML DOM 09261310252D

 14 17  0  0  0  0  0  0  0  0999 V2000
   -3.8429   -8.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7282   -7.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4291   -7.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -9.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062   -7.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2328   -9.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4163   -5.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9245   -5.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3144   -6.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1745   -4.2294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3255   -4.2294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755   -2.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3255   -1.6313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755   -2.9303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
673912

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N3O

>  <Molecular Weight (nearest integer)>
191

$$$$
357683
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.4408   -8.3868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -8.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995   -7.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7024  -10.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041  -10.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995   -8.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8995   -6.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8171  -11.3213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758  -10.7811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0876  -10.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6985   -7.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995   -5.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6985   -6.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995   -4.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6985   -3.3467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8996   -3.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5556   -9.3905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6985   -1.8467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9976   -4.0966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
  1 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <NSC>
357683

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
79127-35-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9NO5

>  <Molecular Weight (nearest integer)>
223

>  <dtpname:Chemical Name>
XK 213

>  <dtpname:Chemical Name>
ECHINOSPORIN

>  <dtpname:Chemical Name>
1,5-(Epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-5-hydroxy-8-oxo-, (1.alpha.,4a.beta.,5.beta.,7a.beta.)-(-)-

>  <dtpname:Chemical Name>
1,5-(epoxymethano)cyclopenta[c]pyran-3-carboxamide, 1,4a,5,7a-tetrahydro-5-hydroxy-8-oxo-, (1.alpha.,4a.beta.,5.beta.,7a.beta.)-, (-)-

$$$$
693053
  CML DOM 09261310252D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -6.5765   -3.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0347   -4.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6076   -4.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0765   -3.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9691   -4.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793   -4.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7105   -6.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105   -6.3403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7523   -4.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8179   -5.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6725   -4.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4595   -4.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5780   -3.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7659   -6.4093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1907   -6.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3092   -5.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
693053

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12N2O3

>  <Molecular Weight (nearest integer)>
220

$$$$
21548
  CML DOM 09261310252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.7500   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346   -7.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5616   -7.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265  -11.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7164  -10.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9798  -10.2718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
21548

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
50-89-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14N2O5

>  <Molecular Weight (nearest integer)>
242

>  <dtpname:Chemical Name>
DT

>  <dtpname:Chemical Name>
DThyd

>  <dtpname:Chemical Name>
Thymidin

>  <dtpname:Chemical Name>
THYMIDINE

>  <dtpname:Chemical Name>
Deoxythymidin

>  <dtpname:Chemical Name>
Deoxythymidine

>  <dtpname:Chemical Name>
2'-Deoxythymidine

>  <dtpname:Chemical Name>
5-Methyldeoxyuridine

>  <dtpname:Chemical Name>
Thyminedeoxyriboside

>  <dtpname:Chemical Name>
Thymine-2-desoxyriboside

>  <dtpname:Chemical Name>
Uridine, 2'-deoxy-5-methyl-

>  <dtpname:Chemical Name>
.beta.-D-Ribofuranoside, thymine-1 2-deoxy-

>  <dtpname:Chemical Name>
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-ribofuranosyl)-5-methyl-

>  <dtpname:Chemical Name>
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-5-methyl-

>  <dtpname:9th C.I.>
Thymidine

>  <dtpname:8th C.I.>
Thymidine

$$$$
169543
  CML DOM 09261310252D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.6838   -2.7927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1756   -5.5475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7857   -1.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710   -0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1756   -2.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3719   -1.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0016   -0.7153    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8448    0.7764    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7881   -1.5970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256   -4.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256   -6.8466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4256   -6.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1756   -5.5475    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1756   -8.1456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6756   -8.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  CHG  2   7   1   8  -1
M  END
>  <NSC>
169543

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H8N4O2S2

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:Chemical Name>
Hydrazinecarbothioamide, N-methyl-2-[(5-nitro-2-thienyl)methylene]-

$$$$
295156
  CML DOM 09261310252D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849   -6.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0132   -6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <NSC>
295156

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23438-23-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H8O2

>  <Molecular Weight (nearest integer)>
124

>  <dtpname:Chemical Name>
2,5-Cyclohexadien-1-one, 4-hydroxy-4-methyl-

$$$$
11779
  CML DOM 09261310252D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.8335   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5345    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8335    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5835    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0835    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0835   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7845   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2354    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5835   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8335    3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8335   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8335   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
>  <NSC>
11779

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10453-89-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H16O2

>  <Molecular Weight (nearest integer)>
168

>  <dtpname:Chemical Name>
Chrysanthemic acid

>  <dtpname:Chemical Name>
Chrysanthemumic acid

>  <dtpname:Chemical Name>
(.+-.)-Chrysanthemumic acid

>  <dtpname:Chemical Name>
CHRYSANTHEMUMMONOCARBOXYLIC ACID

>  <dtpname:Chemical Name>
Chrysanthemummonocarboxylic acid

>  <dtpname:Chemical Name>
3-Isobutenyl-2,2-dimethylcyclopropanecarboxylic acid

>  <dtpname:Chemical Name>
2-(1-Isobutenyl)-3,3-dimethylcyclopropanecarboxylic acid

>  <dtpname:Chemical Name>
WLN: L3TJ A1 A1 BVQ C1UY1&1

>  <dtpname:9th C.I.>
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-

>  <dtpname:8th C.I.>
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-

$$$$
695218
  CML DOM 09261310252D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -7.8068   -0.2603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0203   -1.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5568   -2.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0568   -2.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5933   -1.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1667   -0.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0520   -1.6821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8548    0.7888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6254   -1.2186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3638   -3.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5106   -2.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
695218

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H13NO3

>  <Molecular Weight (nearest integer)>
159

$$$$
99733
  CML DOM 09261310252D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.8243    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3195    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3195    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  3  9  1  0  0  0  0
  4 12  2  0  0  0  0
  5 11  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8 13  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
99733

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5016-18-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H5N5O2

>  <Molecular Weight (nearest integer)>
179

>  <dtpname:Chemical Name>
Reumycin

>  <dtpname:Chemical Name>
Reumitsin

>  <dtpname:Chemical Name>
Rheumygin

>  <dtpname:Chemical Name>
Pyrimido[5,4-e]-as-triazine-5,7(6H,8H)-dione, 6-methyl-

$$$$
95678
  CML DOM 09261310252D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -6.1202   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
95678

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3814-79-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H8N4OS

>  <Molecular Weight (nearest integer)>
196

>  <dtpname:Chemical Name>
3-HP

>  <dtpname:Chemical Name>
3-HP

>  <dtpname:Chemical Name>
Picolinaldehyde, 3-hydroxy-, thiosemicarbazone

>  <dtpname:Chemical Name>
Pyridine-2-carboxaldehyde, 3-hydroxy-, thiosemicarbazone

>  <dtpname:9th C.I.>
Hydrazinecarbothioamide, 2-[(3-hydroxy-2-pyridinyl)methylene]-

$$$$
1620
  CML DOM 09261310252D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -3.6295   -4.4615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305   -2.2115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295   -7.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2988   -7.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314   -2.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314   -4.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305   -5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295   -2.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9285   -6.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0853   -5.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5525   -4.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3025   -6.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305   -6.7115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952   -4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768   -3.7115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952   -2.4980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  2  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
1620

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H9N5O

>  <Molecular Weight (nearest integer)>
215

>  <dtpname:Chemical Name>
4-[[(2-FURANYL)METHYL]AMINO]-1H-PYRAZOLO[3,4-D]PYRIMIDINE

$$$$
403883
  CML DOM 09261310252D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.6327    2.2086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5999    1.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7871    0.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    0.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9112    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047   -0.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054   -0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1593   -0.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3401   -1.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1574   -2.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0247   -2.1453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5464   -0.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6018    2.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    2.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5477   -2.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  6 12  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  1  0  0  0
  8 12  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  1  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
403883

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
77-53-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H26O

>  <Molecular Weight (nearest integer)>
222

>  <dtpname:Chemical Name>
CEDROL

>  <dtpname:Chemical Name>
Cedrol

>  <dtpname:Chemical Name>
EUDESMOL

>  <dtpname:Chemical Name>
.alpha.-Cedrol

>  <dtpname:9th C.I.>
1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, [3R-(3.alpha.,3a.beta.,6.alpha.,7.beta.,8a.alpha.)]-

>  <dtpname:8th C.I.>
8.beta.H-Cedran-8-ol

$$$$
1771
  CML DOM 09261310252D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.0245   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745   -1.5736    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245   -2.8726    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245   -2.8726    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745   -4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745   -4.1716    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245   -5.4707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245   -5.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745   -6.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
1771

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
137-26-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H12N2S4

>  <Molecular Weight (nearest integer)>
240

>  <dtpname:USAN>
Thiram

>  <dtpname:Chemical Name>
Tuex

>  <dtpname:Chemical Name>
TUEX

>  <dtpname:Chemical Name>
TNTD

>  <dtpname:Chemical Name>
TMTD

>  <dtpname:Chemical Name>
TMTDS

>  <dtpname:Chemical Name>
Tutan

>  <dtpname:Chemical Name>
Tuads

>  <dtpname:Chemical Name>
Tmtds

>  <dtpname:Chemical Name>
Heryl

>  <dtpname:Chemical Name>
Tersan

>  <dtpname:Chemical Name>
Arasan

>  <dtpname:Chemical Name>
Atiram

>  <dtpname:Chemical Name>
Hermal

>  <dtpname:Chemical Name>
Thiotox

>  <dtpname:Chemical Name>
Aapirol

>  <dtpname:Chemical Name>
Aatiram

>  <dtpname:Chemical Name>
Tyradin

>  <dtpname:Chemical Name>
Tulisan

>  <dtpname:Chemical Name>
Fermide

>  <dtpname:Chemical Name>
Fernide

>  <dtpname:Chemical Name>
Tirampa

>  <dtpname:Chemical Name>
Pomasol

>  <dtpname:Chemical Name>
Puralin

>  <dtpname:Chemical Name>
SQ 1489

>  <dtpname:Chemical Name>
Thylate

>  <dtpname:Chemical Name>
Thiuram

>  <dtpname:Chemical Name>
Thiurad

>  <dtpname:Chemical Name>
Thiulix

>  <dtpname:Chemical Name>
Thiulin

>  <dtpname:Chemical Name>
Thiosan

>  <dtpname:Chemical Name>
Thiotex

>  <dtpname:Chemical Name>
Rezifilm

>  <dtpname:Chemical Name>
Tripomol

>  <dtpname:Chemical Name>
Nomersan

>  <dtpname:Chemical Name>
Thillate

>  <dtpname:Chemical Name>
Thiramad

>  <dtpname:Chemical Name>
Thirasan

>  <dtpname:Chemical Name>
Pomarsol

>  <dtpname:Chemical Name>
Fernacol

>  <dtpname:Chemical Name>
Tridipam

>  <dtpname:Chemical Name>
Arasan-m

>  <dtpname:Chemical Name>
Arasan-M

>  <dtpname:Chemical Name>
Fernasan

>  <dtpname:Chemical Name>
Hexathir

>  <dtpname:Chemical Name>
Kregasan

>  <dtpname:Chemical Name>
Mercuram

>  <dtpname:Chemical Name>
Spotrete

>  <dtpname:Chemical Name>
Sadoplon

>  <dtpname:Chemical Name>
Trametan

>  <dtpname:Chemical Name>
Thiram B

>  <dtpname:Chemical Name>
Tiuramyl

>  <dtpname:Chemical Name>
Ekagom TB

>  <dtpname:Chemical Name>
Falitiram

>  <dtpname:Chemical Name>
Thiram 75

>  <dtpname:Chemical Name>
Formalsol

>  <dtpname:Chemical Name>
Vuagt-i-4

>  <dtpname:Chemical Name>
Nobecutan

>  <dtpname:Chemical Name>
Normersan

>  <dtpname:Chemical Name>
Accel TMT

>  <dtpname:Chemical Name>
Thiram 80

>  <dtpname:Chemical Name>
Tersan 75

>  <dtpname:Chemical Name>
Thiuramyl

>  <dtpname:Chemical Name>
Thiuram-M

>  <dtpname:Chemical Name>
Thiuram M

>  <dtpname:Chemical Name>
Arasan 75

>  <dtpname:Chemical Name>
Arasan-SF

>  <dtpname:Chemical Name>
VUAgT-I-4

>  <dtpname:Chemical Name>
Thiuram D

>  <dtpname:Chemical Name>
Arasan 70

>  <dtpname:Chemical Name>
Cyuram DS

>  <dtpname:Chemical Name>
Ekagom tb

>  <dtpname:Chemical Name>
Aceto TETD

>  <dtpname:Chemical Name>
Arasan 42S

>  <dtpname:Chemical Name>
Fernasan A

>  <dtpname:Chemical Name>
Hermat TMT

>  <dtpname:Chemical Name>
Panoram 75

>  <dtpname:Chemical Name>
Thioscabin

>  <dtpname:Chemical Name>
Royal TMTD

>  <dtpname:Chemical Name>
Tetrasipton

>  <dtpname:Chemical Name>
Vulkacit TH

>  <dtpname:Chemical Name>
Arasan-sf-x

>  <dtpname:Chemical Name>
Sadoplon 75

>  <dtpname:Chemical Name>
Arasan 42-S

>  <dtpname:Chemical Name>
Vulcafor TMT

>  <dtpname:Chemical Name>
Methyl tuads

>  <dtpname:Chemical Name>
Vulkacit mtic

>  <dtpname:Chemical Name>
Methyl Thiram

>  <dtpname:Chemical Name>
Polyram ultra

>  <dtpname:Chemical Name>
Vulcafor TMTD

>  <dtpname:Chemical Name>
Accelerator T

>  <dtpname:Chemical Name>
Vancida tm-95

>  <dtpname:Chemical Name>
Pomarsol forte

>  <dtpname:Chemical Name>
Arasan 70-S Red

>  <dtpname:Chemical Name>
Vulkacit thiuram

>  <dtpname:Chemical Name>
Tetramethylthiuram

>  <dtpname:Chemical Name>
Zaprawa Nasienna T

>  <dtpname:Chemical Name>
Accelerator Thiuram

>  <dtpname:Chemical Name>
Tetrathiuram disulfide

>  <dtpname:Chemical Name>
Methylthiuram disulfide

>  <dtpname:Chemical Name>
Teramethylthiuram disulfide

>  <dtpname:Chemical Name>
Tetramethylthiuram disulfide

>  <dtpname:Chemical Name>
Tetramethylthiuram bisulfide

>  <dtpname:Chemical Name>
Thiuram M rubber accelerator

>  <dtpname:Chemical Name>
Tetramethylthiurum disulfide

>  <dtpname:Chemical Name>
Tetramethylthiurane disulfide

>  <dtpname:Chemical Name>
Tetramethylthiuram disulphide

>  <dtpname:Chemical Name>
Thiuram disulfide, tetramethyl-

>  <dtpname:Chemical Name>
Tetramethylenethiuram disulfide

>  <dtpname:Chemical Name>
Tersantetramethyldiurane sulfide

>  <dtpname:Chemical Name>
N,N-Tetramethylthiuram disulfide

>  <dtpname:Chemical Name>
Bis(diethylthiocarbamoyl) sulfide

>  <dtpname:Chemical Name>
Tetramethylthiocarbamoyldisulphide

>  <dtpname:Chemical Name>
Bis(dimethylthiocarbamyl) disulfide

>  <dtpname:Chemical Name>
Bis(dimethylthiocarbamoyl) disulfide

>  <dtpname:Chemical Name>
N,N,N',N'-Tetramethylthiuram disulfide

>  <dtpname:Chemical Name>
Tetramethylthioperoxydicarbonic diamide

>  <dtpname:Chemical Name>
Bis[(dimethylamino)carbonothioyl] disulfide

>  <dtpname:Chemical Name>
Formamide, 1,1'-dithiobis(N,N-dimethylthio-

>  <dtpname:Chemical Name>
.alpha.,.alpha.'-Dithiobis(dimethylthio)formamide

>  <dtpname:Chemical Name>
TETRAMETHYLTHIOPEROXYDICARBONIC ACID [(H2N)C(S)]2S2

>  <dtpname:Chemical Name>
N,N'-(Dithiodicarbonothioyl)bis(N-methylmethanamine)

>  <dtpname:Chemical Name>
WLN: 1N1 & YUS & SSYUS & N1 & 1

>  <dtpname:DOT Name>
Thiram

>  <dtpname:9th C.I.>
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetramethyl-

>  <dtpname:8th C.I.>
Disulfide, bis(dimethylthiocarbamoyl)

>  <dtpname:German Name>
Tetramethyl-thiram disulfid

>  <dtpname:German Name>
Bis(dimethyl-thiocarbamoyl)-disulfid

>  <dtpname:French Name>
Thirame

>  <dtpname:French Name>
Disulfure de tetramethylthiourame

>  <dtpname:Dutch Name>
Tetramethylthioramdisulfide

>  <dtpname:Italian Name>
Disolfuro di tetrametiltiourame

>  <dtpname:Polish Name>
Tiuram

$$$$
33004
  CML DOM 09261310252D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6563   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -1.0365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -3.4635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  8  2  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  7 14  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 11 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <NSC>
33004

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6265-55-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9NOS

>  <Molecular Weight (nearest integer)>
227

$$$$
175634
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -4.6235   -3.5354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6235   -5.0354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6235   -9.5354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3245   -7.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254   -8.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8686   -3.5436    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2216   -5.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9226   -5.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5206   -5.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9226   -7.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5206   -7.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6235   -8.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2216   -8.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254   -5.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6551   -5.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3245   -5.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486   -4.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4014   -3.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2087   -1.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  4 16  1  0  0  0  0
  4  5  1  0  0  0  0
  6 14  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
175634

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N2OS

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:Chemical Name>
4(1H)-Quinazolinone, 2,3-dihydro-2-(5-methyl-2-thienyl)-

$$$$
118976
  CML DOM 09261310252D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -5.4707   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <NSC>
118976

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
622-78-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H7NS

>  <Molecular Weight (nearest integer)>
149

>  <dtpname:Chemical Name>
Urogran

>  <dtpname:Chemical Name>
Tromalyt

>  <dtpname:Chemical Name>
Tromacaps

>  <dtpname:Chemical Name>
Benzyl mustard oil

>  <dtpname:Chemical Name>
Benzylisothiocyanate

>  <dtpname:Chemical Name>
Benzyl isothiocyanate

>  <dtpname:Chemical Name>
Toluene, .alpha.-isothiocyanato-

>  <dtpname:Chemical Name>
WLN: SCN1R

>  <dtpname:9th C.I.>
Benzene, (isothiocyanatomethyl)-

>  <dtpname:8th C.I.>
Isothiocyanic acid, benzyl ester

>  <dtpname:VAN>
AB 2

>  <dtpname:German Name>
Benzylsenfoel

$$$$
18804
  CML DOM 09261310252D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1047    1.4363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775    0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9804    0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3142   -0.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9437   -0.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789   -2.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8789   -2.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    2.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7765   -1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7968   -0.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2187   -2.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
18804

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
499-44-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12O2

>  <Molecular Weight (nearest integer)>
164

>  <dtpname:Chemical Name>
Hinokitol

>  <dtpname:Chemical Name>
Hinokitiol

>  <dtpname:Chemical Name>
THUJAPLICIN, BETA

>  <dtpname:Chemical Name>
.beta.-Thujaplicin

>  <dtpname:Chemical Name>
.beta.-Thujaplicine

>  <dtpname:Chemical Name>
4-Isopropyltropolone

>  <dtpname:Chemical Name>
Tropolone, 4-isopropyl-

>  <dtpname:Chemical Name>
.beta.-Isopropyltropolon

>  <dtpname:Chemical Name>
2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one

>  <dtpname:Chemical Name>
WLN: L7VJ BQ DY1&1

>  <dtpname:9th C.I.>
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-

>  <dtpname:8th C.I.>
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-isopropyl-

$$$$
3852
  CML DOM 09261310252D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.1082    7.9195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    7.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1908    7.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7889    7.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1908    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7889    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1082    4.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4072    7.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4072    5.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    4.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    9.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    3.4195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7889    2.6695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <NSC>
3852

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3565-26-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H6N2O2

>  <Molecular Weight (nearest integer)>
174

>  <dtpname:Chemical Name>
Hydron III

>  <dtpname:Chemical Name>
5-Nitroso-8-quinolinol

>  <dtpname:Chemical Name>
5-Nitroso-8-cinnolinol

>  <dtpname:Chemical Name>
8-Hydroxy-5-nitrosoquinoline

>  <dtpname:Chemical Name>
5-Nitroso-8-hydroxyquinoline

>  <dtpname:Chemical Name>
WLN: T66 BNJ GNO JQ

>  <dtpname:9th C.I.>
8-Quinolinol, 5-nitroso-

>  <dtpname:8th C.I.>
8-Quinolinol, 5-nitroso-

$$$$
111041
  CML DOM 09261310252D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <NSC>
111041

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H7N3O2

>  <Molecular Weight (nearest integer)>
189

$$$$
98447
  CML DOM 09261310252D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0490    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7500    3.3481    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    5.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 12 13  3  0  0  0  0
 14 15  3  0  0  0  0
M  CHG  2   8   1   9  -1
M  END
>  <NSC>
98447

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2700-23-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H5N3O2

>  <Molecular Weight (nearest integer)>
199

>  <dtpname:Chemical Name>
AG 1714

>  <dtpname:Chemical Name>
DICYANO-P-NITROSTYRENE

>  <dtpname:Chemical Name>
p-Nitrobenzalmalonitrile

>  <dtpname:Chemical Name>
4'-Nitro-1,1-dicyanostyrene

>  <dtpname:Chemical Name>
p-Nirobenzylidene malononitrile

>  <dtpname:Chemical Name>
4-Nitrobenzylidenemalononitrile

>  <dtpname:Chemical Name>
4-(2,2-Dicyanoethenyl)nitrobenzene

>  <dtpname:Chemical Name>
.beta.,.beta.-Dicyano-p-nitrostyrene

>  <dtpname:Chemical Name>
Malononitrile, (p-nitrobenzylidene)-

>  <dtpname:Chemical Name>
2-Cyano-3-(p-nitrophenyl)acrylonitrile

>  <dtpname:Chemical Name>
Propanedinitrile, [(4-nitrophenyl)methylene]-

$$$$
4280
  CML DOM 09261310252D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.2745    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
4280

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
484-11-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2

>  <Molecular Weight (nearest integer)>
208

>  <dtpname:Chemical Name>
Neocuproin

>  <dtpname:Chemical Name>
neo-Cuproin

>  <dtpname:Chemical Name>
Neocuproine

>  <dtpname:Chemical Name>
2,9-Dimethylphenanthroline

>  <dtpname:Chemical Name>
2,9-Dimethyl-o-phenanthroline

>  <dtpname:Chemical Name>
2,9-Dimethyl-1,10-phenanthroline

>  <dtpname:9th C.I.>
1,10-Phenanthroline, 2,9-dimethyl-

>  <dtpname:8th C.I.>
1,10-Phenanthroline, 2,9-dimethyl-

$$$$
606532
  CML DOM 09261310252D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.1524    8.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8533    7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8533    5.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524    5.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4514    5.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4514    7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524    9.6087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7504    8.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1524    3.6087    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.4514    2.8587    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8533    2.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4457    5.1087    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4457    3.6087    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.7448    5.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  CHG  4  10   1  11  -1  13   1  14  -1
M  END
>  <NSC>
606532

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H7N3O5

>  <Molecular Weight (nearest integer)>
213

$$$$
3905
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  1 18  1  0  0  0  0
  2  9  2  0  0  0  0
  2 13  1  0  0  0  0
  3  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
3905

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1148-79-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H11N3

>  <Molecular Weight (nearest integer)>
233

>  <dtpname:Chemical Name>
Ba 2799

>  <dtpname:Chemical Name>
Tripyridyl

>  <dtpname:Chemical Name>
Tripyridine

>  <dtpname:Chemical Name>
2,2',2''-Tripyridyl

>  <dtpname:Chemical Name>
2,2',2''-Terpyridyl

>  <dtpname:Chemical Name>
2,2',2''-Tripyridine

>  <dtpname:Chemical Name>
2,2',2''-Terpyridine

>  <dtpname:Chemical Name>
2,6-Bis(2-pyridyl)pyridine

>  <dtpname:Chemical Name>
.alpha.,.alpha.',.alpha.''-Tripyridyl

>  <dtpname:9th C.I.>
2,2':6',2''-Terpyridine

>  <dtpname:8th C.I.>
2,2':6',2''-Terpyridine

$$$$
56544
  CML DOM 09261310252D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -3.9108   -4.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4473   -8.8377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7127   -7.6534    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6364   -4.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3374   -5.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9355   -5.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3374   -6.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9355   -6.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9108   -7.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0291   -6.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6364   -7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -9.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -9.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892   -8.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7791   -7.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5291   -6.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  2  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
56544

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6622-22-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H8O2S

>  <Molecular Weight (nearest integer)>
228

$$$$
299879
  CML DOM 09261310252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0490    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
>  <NSC>
299879

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9NO5

>  <Molecular Weight (nearest integer)>
235

$$$$
319726
  CML DOM 09261310252D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.2405   -3.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7405   -3.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9905   -5.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2405   -6.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9905   -5.1907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7405   -6.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9905   -7.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905   -7.7887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905  -10.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9905  -10.3868    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7405  -11.6859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1287  -13.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7084  -12.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201  -13.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7405   -9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7405   -9.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
319726

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71555-25-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H14N4S

>  <Molecular Weight (nearest integer)>
234

>  <dtpname:Chemical Name>
AZETIDINE CARBOTHIOIC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE

>  <dtpname:Chemical Name>
Azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene] hydrazide

$$$$
625355
  CML DOM 09261310252D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.2702   -0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5353   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2132   -2.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692   -1.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2159   -0.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8856   -2.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9950   -3.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0091   -3.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6072   -1.1894    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9243    1.2179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1335    2.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8419    3.8147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3411    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1320    2.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3658    2.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
625355

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11FN2O4

>  <Molecular Weight (nearest integer)>
230

>  <dtpname:Chemical Name>
1-(2'-Deoxy-2'-fluoro-D-arabinofuranosyl)- 1,2-pyrimidine-2-one

$$$$
186
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -9.4683   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  1  0  0  0
 11 18  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
186

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
518-75-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14O5

>  <Molecular Weight (nearest integer)>
250

>  <dtpname:Chemical Name>
Citriain

>  <dtpname:Chemical Name>
Citrinin

>  <dtpname:Chemical Name>
Antimycin

>  <dtpname:Chemical Name>
WLN: T66 CO HV AUT&J D1 E1 G1 IVQ JQ

>  <dtpname:9th C.I.>
3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)-

$$$$
32946
  CML DOM 09261310252D

 14 12  0  0  0  0  0  0  0  0999 V2000
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5957    6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <NSC>
32946

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7059-23-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H12N8.2ClH

>  <Molecular Weight (nearest integer)>
257

>  <dtpname:Chemical Name>
MGBG

>  <dtpname:Chemical Name>
MGGH

>  <dtpname:Chemical Name>
Methyl-G

>  <dtpname:Chemical Name>
Methyl-GAG

>  <dtpname:Chemical Name>
METHYL GAG

>  <dtpname:Chemical Name>
Methyl GAG

>  <dtpname:Chemical Name>
Mitoguazone

>  <dtpname:Chemical Name>
Guanylhydrazone

>  <dtpname:Chemical Name>
Methylglyoxal bis(guanylhydrazone)dihydrochloride

>  <dtpname:Chemical Name>
Methylglyoxal bis(guanylhydrazone) dihydrochloride

>  <dtpname:Chemical Name>
Methyl glyoxal bis(amidinohydrazone) dihydrochloride

>  <dtpname:Chemical Name>
Guanidine, 1,1'-methylethanediylidenedinitrilo)di-, dihydrochloride

>  <dtpname:Chemical Name>
Guanidine, 1,1'-[(methylethanediylidene)dinitrilo]di-, dihydrochloride, monohydrate

>  <dtpname:9th C.I.>
Hydrazinecarboximidamide, 2,2'-(1-methyl-1,2-ethanediylidene)bis-, dihydrochloride

>  <dtpname:8th C.I.>
Guanidine, 1,1'-[(methylethanediylidene)dinitrilo]di-, dihydrochloride

>  <dtpname:8th C.I.>
Guanidine, 1,1'-[(methylethanediylidene)dinitrilo]di-, dihydrochloride

$$$$
146268
  CML DOM 09261310252D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.7443    2.1507    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6163   -0.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6384    4.9421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601    0.9508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    1.0161    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456    3.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7514    2.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457    2.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1327   -0.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5364   -1.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5336   -2.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8640   -2.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2982   -4.2469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3120   -4.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2065   -2.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4470    3.5464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158   -1.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
146268

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27089-56-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H11N3O5S

>  <Molecular Weight (nearest integer)>
261

>  <dtpname:Chemical Name>
as-Triazine-3,5(2H,4H)-dione, 2-.beta.-D-ribofuranosyl-3-thio-

$$$$
283162
  CML DOM 09261310252D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <NSC>
283162

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
64124-21-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H18N6O3

>  <Molecular Weight (nearest integer)>
258

>  <dtpname:Chemical Name>
TRIMETHYL TMM

>  <dtpname:Chemical Name>
Trimethyl TMM

>  <dtpname:9th C.I.>
Methanol, [1,3,5-triazine-2,4,6-triyltris(methylimino)]tris-

$$$$
400978
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.5205   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050   -6.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5205   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2215   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7949   -2.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8195   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7949   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2215   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8195   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5205   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5695   -5.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3195   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2967   -3.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3326   -1.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5205   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985   -2.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -5.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7985   -4.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  8  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
400978

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1146-04-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20O3

>  <Molecular Weight (nearest integer)>
248

>  <dtpname:Chemical Name>
DR-15977

>  <dtpname:Chemical Name>
ILLUDIN M

>  <dtpname:Chemical Name>
Illudin M

>  <dtpname:Chemical Name>
Illudine M

>  <dtpname:Chemical Name>
Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S-trans)-

>  <dtpname:9th C.I.>
Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S,6'R)-

>  <dtpname:8th C.I.>
Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 2',3'-dihydro-3'.beta.,6'.alpha.-dihydroxy- 2',2',4',6'-tetramethyl-

$$$$
667235
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
  -10.1178   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168   -0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187    1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    1.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7159    1.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
667235

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12O5

>  <Molecular Weight (nearest integer)>
248

$$$$
118742
  CML DOM 09261310252D

 15 14  0  0  0  0  0  0  0  0999 V2000
    6.2208    0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5198    2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8189    0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8189    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5198   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9218    2.5244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227    1.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9218    4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246    0.2744    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5199   -1.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8189   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1179    2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4170    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
118742

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35832-09-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H16N6.ClH

>  <Molecular Weight (nearest integer)>
233

>  <dtpname:Chemical Name>
PMM HCl

>  <dtpname:Chemical Name>
PENTAMETHYLMELAMINE HCL

>  <dtpname:Chemical Name>
Pentamethylmelamine monoHCl

>  <dtpname:Chemical Name>
Pentamethylmelamine monohydrochloride

>  <dtpname:Chemical Name>
Melamine, N2,N2,N4,N4,N6-pentamethyl-, monohydrochloride

>  <dtpname:9th C.I.>
1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N''-pentamethyl-, monohydrochloride

$$$$
9706
  CML DOM 09261310252D

 15 18  0  0  0  0  0  0  0  0999 V2000
    3.2502   -1.5313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5492   -3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8482   -1.5313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8482   -6.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1473   -3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4463   -1.5313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1963   -0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9463   -1.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5001   -0.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7502   -1.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1473   -2.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5492   -2.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8482   -4.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5982   -7.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0982   -7.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  2 13  1  0  0  0  0
  3 11  2  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 13  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
9706

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51-18-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12N6

>  <Molecular Weight (nearest integer)>
204

>  <dtpname:USAN>
Triethylenemelamine

>  <dtpname:INN:BAN>
Tretamine

>  <dtpname:Chemical Name>
TET

>  <dtpname:Chemical Name>
Triaziridinyl triazine

>  <dtpname:Chemical Name>
Melamine, triethylene-

>  <dtpname:Chemical Name>
Triethanomelamine

>  <dtpname:Chemical Name>
2,4,6-Tris(1-aziridinyl)-s-triazine

>  <dtpname:Chemical Name>
Tretamin

>  <dtpname:Chemical Name>
Triamelin

>  <dtpname:Chemical Name>
Tem-Simes

>  <dtpname:Chemical Name>
Persistol

>  <dtpname:Chemical Name>
Trisaziridinyltriazine

>  <dtpname:Chemical Name>
Tris(ethyleneimino)triazine

>  <dtpname:Chemical Name>
2,4,6-Tri(ethylenimino-s-trazine

>  <dtpname:Chemical Name>
2,4,6-Tris(ethylenimino)-s-triazine

>  <dtpname:Chemical Name>
2,4,6-Tri(ethyleneimino)-s-triazine

>  <dtpname:Chemical Name>
2,4,6-Tris(ethyleneimino)-s-triazine

>  <dtpname:Chemical Name>
2,4,6-Tri(ethylenimino-1,3,5-triazine

>  <dtpname:Chemical Name>
2,4,6-Tri(ethyleneimino)-1,3,5-triazine

>  <dtpname:Chemical Name>
2,4,6-Tris(1-aziridinyl)-1,3,5-triazine

>  <dtpname:Chemical Name>
1,1',1''-s-Triazine-2,4,6-triyltrisaziridine

>  <dtpname:Chemical Name>
Aziridine, 1,1',1''-s-triazine-2,4,6-triyltris-

>  <dtpname:Chemical Name>
TAT

>  <dtpname:Chemical Name>
TEM

>  <dtpname:Chemical Name>
R-246

>  <dtpname:Chemical Name>
R 246

>  <dtpname:Chemical Name>
M-9500

>  <dtpname:Chemical Name>
M 9500

>  <dtpname:Chemical Name>
SK 1133

>  <dtpname:Chemical Name>
SK #1133

>  <dtpname:Chemical Name>
DRP 859025

>  <dtpname:Chemical Name>
ENT 25,296

>  <dtpname:Chemical Name>
TEM (cytostatic)

>  <dtpname:Chemical Name>
Persistol Ho 1/193

>  <dtpname:Chemical Name>
Persistol Hoe 1/193

>  <dtpname:Chemical Name>
NSC-9706

>  <dtpname:Chemical Name>
WLN: T6N CN ENJ B- AT3NTJ& D- AT3NTJ& F- AT3NTJ

>  <dtpname:9th C.I.>
1,3,5-Triazine, 2,4,6-tris(1-aziridinyl)-

>  <dtpname:8th C.I.>
s-Triazine, 2,4,6-tris(1-aziridinyl)-

$$$$
328587
  CML DOM 09261310252D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -4.5586    6.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3086    5.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2479    4.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2479    2.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9489    4.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9489    1.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9489    6.3991    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6498    4.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6498    2.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.4883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    6.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9131    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
328587

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
30990-64-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H10N2O2Se

>  <Molecular Weight (nearest integer)>
245

>  <dtpname:9th C.I.>
6H-[1,2,5]Oxaselenazolo[4,3,2-hi][2,1,3]benzoxaselenazole-3-SeIV, 7,8-dihydro-7,7-dimethyl-

>  <dtpname:8th C.I.>
6H-[1,2,5]Oxaselenazolo[4,3,2-hi][2,1,3]benzoxaselenazole-3-SeIV, 7,8-dihydro-7,7-dimethyl-

$$$$
635563
  CML DOM 09261310252D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.9240    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    2.8995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8924    6.7894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8961    7.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3879    7.7473    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1461    9.2032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6789    8.8913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  2   6   1   7  -1
M  END
>  <NSC>
635563

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H6N4O3S

>  <Molecular Weight (nearest integer)>
238

$$$$
750
  CML DOM 09261310252D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -4.5386   -0.4624    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8230   -1.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7637   -1.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2542    0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9410   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566    0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6566   -0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -0.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5386    0.4624    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7637    1.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -0.8220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8230    1.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3134    0.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
750

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
55-98-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H14O6S2

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:USAN>
Busulfan

>  <dtpname:Brand Name>
Myleran

>  <dtpname:Brand Name>
Busulfex

>  <dtpname:Chemical Name>
1,4-Dimethylsulfonoxybutane

>  <dtpname:Chemical Name>
1,4-Butanediol dimethylsulfonate

>  <dtpname:Chemical Name>
GT 41

>  <dtpname:Chemical Name>
X 149

>  <dtpname:Chemical Name>
Mablin

>  <dtpname:Chemical Name>
NSC-750

>  <dtpname:Chemical Name>
NSC 750

>  <dtpname:Chemical Name>
Mileran

>  <dtpname:Chemical Name>
MYLERAN

>  <dtpname:Chemical Name>
GT 2041

>  <dtpname:Chemical Name>
G.T. 41

>  <dtpname:Chemical Name>
CB 2041

>  <dtpname:Chemical Name>
Mielosan

>  <dtpname:Chemical Name>
Misulban

>  <dtpname:Chemical Name>
Mitostan

>  <dtpname:Chemical Name>
AN 33501

>  <dtpname:Chemical Name>
Myelosan

>  <dtpname:Chemical Name>
Buzulfan

>  <dtpname:Chemical Name>
Mielucin

>  <dtpname:Chemical Name>
Mylecytan

>  <dtpname:Chemical Name>
Busulphan

>  <dtpname:Chemical Name>
C.B. 2041

>  <dtpname:Chemical Name>
Mielevcin

>  <dtpname:Chemical Name>
Milecitan

>  <dtpname:Chemical Name>
NCI-C01592

>  <dtpname:Chemical Name>
2041 C. B.

>  <dtpname:Chemical Name>
Citosulfan

>  <dtpname:Chemical Name>
Leucosulfan

>  <dtpname:Chemical Name>
Myeloleukon

>  <dtpname:Chemical Name>
Sulphabutin

>  <dtpname:Chemical Name>
NSC-750sulphabutin

>  <dtpname:Chemical Name>
1,4-Dimesyloxybutane

>  <dtpname:Chemical Name>
1,4-Dimethanesulfonoxybutane

>  <dtpname:Chemical Name>
1,4-Dimethylsulfonyloxybutane

>  <dtpname:Chemical Name>
1,4-Dimethanesulfonyloxybutane

>  <dtpname:Chemical Name>
1,4-Bis[methanesulfonoxy]butane

>  <dtpname:Chemical Name>
1,4-Bis(methanesulfonyloxy)butane

>  <dtpname:Chemical Name>
1,4-Butanediol dimethanesulfonate

>  <dtpname:Chemical Name>
Tetramethylene dimethane sulfonate

>  <dtpname:Chemical Name>
Tetramethylene bis[methanesulfonate]

>  <dtpname:Chemical Name>
Methanesulfonic acid, tetramethylene ester

>  <dtpname:Chemical Name>
WLN: WS1&O4OSW1

>  <dtpname:9th C.I.>
1,4-Butanediol, dimethanesulfonate

>  <dtpname:8th C.I.>
1,4-Butanediol, dimethanesulfonate

>  <dtpname:VAN>
Sulfabutin

$$$$
63984
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4506    4.0699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2902    2.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0457    3.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6335    1.4783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9875   -3.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -3.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0388   -1.7637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1372    1.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    2.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3711   -1.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440    2.2013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -2.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7855    0.1901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1954    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623   -5.6710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8853    5.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1701   -4.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7929   -2.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
63984

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73-03-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N5O3

>  <Molecular Weight (nearest integer)>
251

>  <dtpname:Chemical Name>
Cordycepin

>  <dtpname:Chemical Name>
CORDYCEPIN

>  <dtpname:Chemical Name>
Cordycepine

>  <dtpname:Chemical Name>
3-DEOXYADENOSINE

>  <dtpname:Chemical Name>
3-Deoxyadenosine

>  <dtpname:Chemical Name>
3'-Deoxyadenosine

>  <dtpname:Chemical Name>
9-Cordyceposidoadenine

>  <dtpname:Chemical Name>
9-(.beta.-D-3'-Deoxyribofuranosyl)adenine

>  <dtpname:Chemical Name>
.beta.-D-erythro-Pentofuranoside, adenine-9 3-deoxy-

>  <dtpname:Chemical Name>
9H-Purine, 6-amino-9-(3-deoxy-.beta.-D-ribofuranosyl)-

>  <dtpname:Chemical Name>
9H-Purin-6-amine, 9-(3-deoxy-.beta.-D-erythro-pentofuranosyl)-

>  <dtpname:9th C.I.>
Adenosine, 3'-deoxy-

>  <dtpname:8th C.I.>
Adenosine, 3'-deoxy-

$$$$
146604
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.0560    1.9396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8229   -0.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2169    4.8964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925    0.8286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9239    2.4294    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5754    3.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    2.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5610    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3489   -0.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3710   -1.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581   -2.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140   -2.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3644   -4.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3800   -4.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3299   -3.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0804    3.4180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8588   -2.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
146604

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
316-46-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11FN2O6

>  <Molecular Weight (nearest integer)>
262

>  <dtpname:Chemical Name>
FUR

>  <dtpname:Chemical Name>
5-Fur

>  <dtpname:Chemical Name>
5-FUR

>  <dtpname:Chemical Name>
5-Fluorouridine

>  <dtpname:Chemical Name>
WLN: T6NVMVJ EF A-ET5OTJ B1Q CQ DQ

>  <dtpname:9th C.I.>
Uridine, 5-fluoro-

>  <dtpname:8th C.I.>
Uridine, 5-fluoro-

$$$$
286193
  CML DOM 09261310252D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.4422    4.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2373   -3.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5881    1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2738   -1.3155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848    1.3651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6313    2.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648    3.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0991   -1.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462   -3.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1203   -2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9336    4.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9287   -5.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9532   -4.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913   -1.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4422    5.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 17  2  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  2  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <NSC>
286193

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
60084-10-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12N2O5S

>  <Molecular Weight (nearest integer)>
260

>  <dtpname:USAN>
Tiazofurin

>  <dtpname:Chemical Name>
TIAZOFURIN

>  <dtpname:Chemical Name>
2-.beta.-D-Ribofuranosyl-4-thiazolecarboxamide

>  <dtpname:Chemical Name>
2-.beta.-D-Ribofuranosylthiazole-4-carboxamide

>  <dtpname:9th C.I.>
4-Thiazolecarboxamide, 2-.beta.-D-ribofuranosyl-

$$$$
405158
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.7500   -6.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.4413   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
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 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
M  END
>  <NSC>
405158

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
958-11-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9ClN2O

>  <Molecular Weight (nearest integer)>
257

>  <dtpname:Chemical Name>
2,5-Cyclohexadiene-.delta.1,.alpha.-acetonitrile, .alpha.-(p-chlorophenyl)-4-oxo-, oxime

$$$$
676561
  CML DOM 09261310252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.4974    2.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9973    2.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457    3.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2457    3.3549    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7490    0.7548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9973    2.0568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4973    2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
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  9 10  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
676561

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13NO2S

>  <Molecular Weight (nearest integer)>
247

$$$$
54650
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -6.2207    1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   -1.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    3.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    4.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    3.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.4169    5.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
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 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
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 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
54650

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6951-16-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H11NO3

>  <Molecular Weight (nearest integer)>
253

$$$$
159935
  CML DOM 09261310252D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.7141    1.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1155    4.2917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2131    1.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -0.9008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9138    3.0218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0114    0.4255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5103    0.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4127    3.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2110    1.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1134    4.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7099    1.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4106    3.1908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8075   -0.7317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1048   -1.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6058   -2.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
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 15 16  2  0  0  0  0
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 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
159935

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
28277-68-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12N2O4

>  <Molecular Weight (nearest integer)>
224

$$$$
373853
  CML DOM 09261310252D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.4000    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3329    6.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2971    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5961    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5961    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8952    2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
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  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
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  7  9  2  0  0  0  0
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  9 12  2  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
373853

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
107089-76-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H7ClN2O2S

>  <Molecular Weight (nearest integer)>
231

>  <dtpname:Chemical Name>
4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide

$$$$
637833
  CML DOM 09261310252D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.6154   -0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154   -0.0666    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1154    2.5315    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8654    3.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154    5.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6154   -0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8654   -1.3656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8654    1.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
637833

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H10O3S3

>  <Molecular Weight (nearest integer)>
238

>  <dtpname:Chemical Name>
Tris(acetylthio)methane

$$$$
1906
  CML DOM 09261310252D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.0366   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5366   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2866   -6.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1616   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0366   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5366   -7.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9116   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4116   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1616   -2.0491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6616   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9116   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7866   -6.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2866   -6.1471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9116   -3.3481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
1906

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
98-77-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H11NS2.C5H11N

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:Chemical Name>
Accelerator 552

>  <dtpname:Chemical Name>
PMP (accelerator)

>  <dtpname:Chemical Name>
''522'' Rubber accelerator

>  <dtpname:Chemical Name>
Piperidinium piperidinedithiocarbamate

>  <dtpname:Chemical Name>
Piperidine pentamethylenedithiocarbamate

>  <dtpname:Chemical Name>
Piperidinium pentamethylenedithiocarbamate

>  <dtpname:Chemical Name>
Piperidinium pentamethylene dithiocarbamate

>  <dtpname:Chemical Name>
Piperidinium N,N-pentamethylenedithiocarbamate

>  <dtpname:Chemical Name>
1-Piperidinecarbodithioic acid, piperidine salt

>  <dtpname:Chemical Name>
Piperidinecarbodithioic acid, piperidinium salt

>  <dtpname:Chemical Name>
WLN: T6NTJ AYUS & SH & T6MTJ

>  <dtpname:9th C.I.>
1-Piperidinecarbodithioic acid, compd. with piperidine (1:1)

>  <dtpname:8th C.I.>
1-Piperidinecarbodithioic acid, compd. with piperidine (1:1)

>  <dtpname:VAN>
PMP

$$$$
80087
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6304   -2.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9294   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9294   -4.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313   -4.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304   -5.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9294   -7.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2997   -6.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0862   -9.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0825  -10.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460  -11.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3034   -8.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5534   -9.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0133  -11.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0170  -10.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304   -0.7811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3313   -0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9294   -0.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304   -6.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
80087

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
443-30-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H17N

>  <Molecular Weight (nearest integer)>
247

>  <dtpname:Chemical Name>
DABI

>  <dtpname:Chemical Name>
[(4-Dimethylamino)benzylidene]indene

>  <dtpname:Chemical Name>
1-[4-(Dimethylaminobenzylidene)]indene

>  <dtpname:Chemical Name>
N,N-Dimethyl-.alpha.-indolylidene-p-toluidine

>  <dtpname:Chemical Name>
p-Toluidine, .alpha.-inden-1-ylidene-N,N-dimethyl-

>  <dtpname:Chemical Name>
4-(1H-Inden-1-ylidenemethyl)-N,N-dimethylbenzenamine

>  <dtpname:Chemical Name>
Benzenamine, 4-(1H-inden-1-ylidenemethyl)-N,N-dimethyl-

$$$$
175274
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -7.4139    0.5102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4139   -0.9898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7738   -1.4079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6804   -2.9845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0947   -1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0984   -2.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6275   -1.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6349   -4.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1639   -3.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1676   -4.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6639   -3.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2004   -1.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0189   -6.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4088   -5.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1372   -8.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9170   -5.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6454   -7.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0353   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1886   -2.8277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2905   -4.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7822   -4.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  4 19  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  2  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
175274

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
844-63-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13N3O

>  <Molecular Weight (nearest integer)>
263

>  <dtpname:Chemical Name>
2H-Indol-2-one, 3-(2-hydrazono-2-phenylethylidene)-1,3-dihydro-

$$$$
292147
  CML DOM 09261310252D

 19 22  0  0  0  0  0  0  0  0999 V2000
    1.7610    1.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9178    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745    2.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2881   -0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448    1.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5016    0.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9688    0.0180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7151    2.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0270    3.8990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7188   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7188    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2188   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2188    1.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9688    0.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9688   -2.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4688   -2.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4688    0.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2188   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9688   -2.5801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
292147

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62584-08-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10N2O2

>  <Molecular Weight (nearest integer)>
250

>  <dtpname:Chemical Name>
12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one

$$$$
634471
  CML DOM 09261310252D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -9.8433   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
634471

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10Cl2N2O3

>  <Molecular Weight (nearest integer)>
265

$$$$
7364
  CML DOM 09261310252D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -3.0000   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   -2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   -4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -5.9462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.3481    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.2500   -3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3 11  1  0  0  0  0
  3  6  2  0  0  0  0
  3 16  1  0  0  0  0
  4 14  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <NSC>
7364

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7761-45-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10Cl2N4

>  <Molecular Weight (nearest integer)>
269

>  <dtpname:USAN>
Metoprine

>  <dtpname:Chemical Name>
DDMP

>  <dtpname:Chemical Name>
U 197

>  <dtpname:Chemical Name>
BW50197

>  <dtpname:Chemical Name>
SK 5265

>  <dtpname:Chemical Name>
BW 197U

>  <dtpname:Chemical Name>
BW 197 U

>  <dtpname:Chemical Name>
BW 50197

>  <dtpname:Chemical Name>
Methodichlorophen

>  <dtpname:Chemical Name>
2,4-Diamino-5-(3,4-dichlorophenyl)-6-methylpyrimidine

>  <dtpname:Chemical Name>
WLN: T6N CNJ BZ DZ ER CG DG& F1

>  <dtpname:9th C.I.>
2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-methyl-

>  <dtpname:8th C.I.>
Pyrimidine, 2,4-diamino-5-(3,4-dichlorophenyl)-6-methyl-

$$$$
105808
  CML DOM 09261310252D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -8.3195   -2.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7214   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4224   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1234   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7214   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3195   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  3 13  2  0  0  0  0
  4 11  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
105808

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14173-81-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H5BrN2O2

>  <Molecular Weight (nearest integer)>
253

>  <dtpname:Chemical Name>
5,8-Quinolinedione, 6-amino-7-bromo-

$$$$
296961
  CML DOM 09261310252D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.4822   -7.2452    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9822   -7.2452    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9822   -5.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9823   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4823   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7322   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7322   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2322   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4822   -4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9822   -8.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4822   -7.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7323   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <NSC>
296961

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
20537-88-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H15N2O3PS

>  <Molecular Weight (nearest integer)>
214

>  <dtpname:USAN>
Amifostine

>  <dtpname:Brand Name>
Ethyol

>  <dtpname:Chemical Name>
Ethiofos

>  <dtpname:Chemical Name>
Aminopropylaminoethyl thiophosphate

>  <dtpname:Chemical Name>
2-(3-Aminopropylamino)ethyl thiophosphate

>  <dtpname:Chemical Name>
S-(2-(3-Aminopropylamino)ethyl) phosphorothioate

>  <dtpname:Chemical Name>
S-[2-(3-Aminopropylamino)ethyl] phosphorothioate

>  <dtpname:Chemical Name>
S-[2-[(3-Aminopropyl)amino]ethyl] dihydrogen phosphorothioate

>  <dtpname:Chemical Name>
SAPEP

>  <dtpname:Chemical Name>
WR 2721C

>  <dtpname:Chemical Name>
WR 2721

>  <dtpname:Chemical Name>
AU-95722

>  <dtpname:Chemical Name>
Gammaphos

>  <dtpname:9th C.I.>
Ethanethiol, 2-[(3-aminopropyl)amino]-, dihydrogen phosphate (ester)

>  <dtpname:9th C.I.>
Ethanethiol, S-[(3-aminopropyl)amino]-, dihydrogen phosphate- (ester)

>  <dtpname:8th C.I.>
Phosphorothioic acid, S-[2-[(3-aminopropyl)amino]ethyl]ester

>  <dtpname:8th C.I.>
Phosphorothioic acid, S-[2-[(3-aminopropyl)amino]ethyl] ester

$$$$
375294
  CML DOM 09261310252D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -4.0429   -3.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7324   -4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0197   -4.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4219   -4.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7556   -2.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9965   -6.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4533   -4.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987   -6.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -3.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4683   -1.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6860   -7.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4158   -6.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3161   -5.5776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384   -3.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4001   -5.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1578   -2.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8572   -8.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 12 17  2  0  0  0  0
  8 11  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
375294

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H22O2

>  <Molecular Weight (nearest integer)>
234

>  <dtpname:Chemical Name>
CONFERTIFOLINE

$$$$
645987
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.5726    8.9287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5726    7.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2735    6.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2735    5.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745    4.4287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    5.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995    3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8177    2.9369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5726    4.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5726    2.9287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716    5.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716    6.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1706    7.4286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5410    6.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5447    7.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7947    9.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3274    8.9204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
645987

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N4O2

>  <Molecular Weight (nearest integer)>
242

>  <dtpname:Chemical Name>
1,4-Benzenediol, 2,5-bis(1-pyrazolyl)-

$$$$
4114
  CML DOM 09261310252D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.6387    7.4668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9377    8.2168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5358    9.7168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630    3.7303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9611    5.2303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2368   10.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9377    9.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6620    5.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630    5.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5358    8.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2368    7.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9611    3.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6620    2.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2601    5.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5591    5.2303    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2601    7.4803    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
4114

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5327-10-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H9NOS2.C4H9NO

>  <Molecular Weight (nearest integer)>
250

>  <dtpname:Chemical Name>
Morpholine-N-dithiocarbamate

>  <dtpname:Chemical Name>
Morpholinium 4-morpholinecarbodithioate

>  <dtpname:Chemical Name>
Morpholinium morpholine-N-dithiocarbamate

>  <dtpname:Chemical Name>
Morpholinium morpholine-N-dithiocarboxylate

>  <dtpname:Chemical Name>
Morpholinium-N-oxydiethylenedithiocarbamate

>  <dtpname:9th C.I.>
4-Morpholinecarbodithioic acid, compd. with morpholine (1:1)

>  <dtpname:8th C.I.>
4-Morpholinecarbodithioic acid, compd. with morpholine (1:1)

$$$$
85236
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.8099   -2.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    2.2844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   -1.8733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9782    2.5108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9434    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781   -0.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656    2.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4580    1.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326    2.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4071    0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9273   -0.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974   -0.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5021   -0.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7499   -1.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1200   -1.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5218   -1.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6009   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3604   -2.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7499    3.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453   -2.5887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304   -2.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
 10  2  1  6  0  0  0
 13  3  1  6  0  0  0
  8  4  1  6  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  6  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  1  0  0  0
 16 21  1  6  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <NSC>
85236

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6754-13-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H18O4

>  <Molecular Weight (nearest integer)>
262

>  <dtpname:Chemical Name>
PF 56

>  <dtpname:Chemical Name>
HELENALIN

>  <dtpname:Chemical Name>
Helenalin

>  <dtpname:Chemical Name>
WLN: T C575 DYVO MV KUTJ A1 BQ DU1 I1

>  <dtpname:9th C.I.>
Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, [3aS-(3a.alpha.,4.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)]-

>  <dtpname:8th C.I.>
Ambrosa-2,11(13)-dien-12-oic acid, 6.alpha.,8.beta.-dihydroxy-4-oxo-, 12,8-lactone

$$$$
176655
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -7.5932    6.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5932    3.7150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4615    6.2276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2115    4.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4615    3.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9615    3.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7480   -1.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1750   -1.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4615    1.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2115   -0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2115    2.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7115   -0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7115    2.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4615    1.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3188    6.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6179    5.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0198    5.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0198    4.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6179    4.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3188    3.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9615   -2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7115    4.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
  2 22  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
176655

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H11NO3

>  <Molecular Weight (nearest integer)>
265

>  <dtpname:Chemical Name>
Benzoxazole, 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-, (Z)-

$$$$
307454
  CML DOM 09261310252D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.3995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495    2.9731    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8995    4.2721    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8505    8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495    8.1692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005    9.4683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505   10.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005   12.0663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3505   10.7673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8505    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005    6.8702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005    9.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8505   10.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2   6  -1   7   1
M  END
>  <NSC>
307454

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70015-86-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11ClN4O3

>  <Molecular Weight (nearest integer)>
259

>  <dtpname:9th C.I.>
Urea, N-(2-chloroethyl)-N-nitroso-N'-(3-pyridinylmethyl)-, N-oxide

$$$$
634650
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
  -12.4100   -2.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7091   -3.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7091   -4.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4100   -5.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1110   -4.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8119   -5.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5129   -4.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5129   -3.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8119   -2.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1110   -3.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2139   -2.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2139   -1.0537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9148   -3.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6158   -2.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2455   -3.1638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2418   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4590   -1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
634650

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H12O3

>  <Molecular Weight (nearest integer)>
252

$$$$
9856
  CML DOM 09261310252D

 22 21  0  0  0  0  0  0  0  0999 V2000
    6.2745    6.2207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2745    6.2207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2745    8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7745    8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5245   10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0245   10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0245   12.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5245   12.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2745   14.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2745   11.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
9856

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
112-80-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H34O2

>  <Molecular Weight (nearest integer)>
282

>  <dtpname:Chemical Name>
K 52

>  <dtpname:Chemical Name>
Red oil

>  <dtpname:Chemical Name>
Groco 4

>  <dtpname:Chemical Name>
Groco 2

>  <dtpname:Chemical Name>
Groco 6

>  <dtpname:Chemical Name>
Metaupon

>  <dtpname:Chemical Name>
Groco 5l

>  <dtpname:Chemical Name>
Glycon wo

>  <dtpname:Chemical Name>
Oelsauere

>  <dtpname:Chemical Name>
Glycon ro

>  <dtpname:Chemical Name>
Oleic acid

>  <dtpname:Chemical Name>
OLEIC ACID

>  <dtpname:Chemical Name>
Hy-phi 2066

>  <dtpname:Chemical Name>
Hy-phi 2102

>  <dtpname:Chemical Name>
Pamolyn 100

>  <dtpname:Chemical Name>
Oleine 7503

>  <dtpname:Chemical Name>
Emersol 210

>  <dtpname:Chemical Name>
Emersol 211

>  <dtpname:Chemical Name>
Emersol 213

>  <dtpname:Chemical Name>
Hy-phi 1055

>  <dtpname:Chemical Name>
Hy-phi 1088

>  <dtpname:Chemical Name>
Hy-phi 2088

>  <dtpname:Chemical Name>
Emersol 6321

>  <dtpname:Chemical Name>
Vopcolene 27

>  <dtpname:Chemical Name>
neo-Fat 92-04

>  <dtpname:Chemical Name>
Elaidoic acid

>  <dtpname:Chemical Name>
Emersol 233ll

>  <dtpname:Chemical Name>
neo-Fat 90-04

>  <dtpname:Chemical Name>
cis-Oleic acid

>  <dtpname:Chemical Name>
Tego-oleic 130

>  <dtpname:Chemical Name>
9-Octadecenoic acid

>  <dtpname:Chemical Name>
Century cd fatty acid

>  <dtpname:Chemical Name>
Z-9-Octadecenoic acid

>  <dtpname:Chemical Name>
9,10-Octadecenoic acid

>  <dtpname:Chemical Name>
.delta.9-cis-Oleic acid

>  <dtpname:Chemical Name>
cis-9-Octadecenoic acid

>  <dtpname:Chemical Name>
cis-Octadec-9-enoic acid

>  <dtpname:Chemical Name>
9-Octadecenoic acid, (Z)-

>  <dtpname:Chemical Name>
9-Octadecenoic acid, cis-

>  <dtpname:Chemical Name>
cis-.delta.9-Octadecenoate

>  <dtpname:Chemical Name>
Emersol 220 White Oleic Acid

>  <dtpname:Chemical Name>
cis-.delta.9-Octadecenoic acid

>  <dtpname:Chemical Name>
cis-.delta.(sup 9)-Octadecenoic acid

>  <dtpname:Chemical Name>
Emersol 221 Low Titer White Oleic Acid

>  <dtpname:Chemical Name>
WLN: QV8U9-C

>  <dtpname:9th C.I.>
9-Octadecenoic acid (Z)-

>  <dtpname:VAN>
Wecoline OO

>  <dtpname:French Name>
L'Acide oleique

$$$$
637729
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.3235  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746  -11.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726  -10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2746   -5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
637729

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10N2O2

>  <Molecular Weight (nearest integer)>
250

>  <dtpname:Chemical Name>
Naphthalene-1,2-dione, 1,2-dihydro-4-[(3-pyridinyl)amino]-

$$$$
326231
  CML DOM 09261310252D

 14 13  0  0  0  0  0  0  0  0999 V2000
  -12.7889   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0389   -1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5389   -1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7889    0.2856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4898   -0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0879    1.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1908    0.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8918   -0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0389    1.5846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5927    0.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2937   -0.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5927    1.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8918   -1.9644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2889   -2.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  1  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <NSC>
326231

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
83730-53-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H18N2O3S

>  <Molecular Weight (nearest integer)>
222

>  <dtpname:Chemical Name>
BSO

>  <dtpname:Chemical Name>
BSO

>  <dtpname:Chemical Name>
L-Buthionine sulfoximine

>  <dtpname:Chemical Name>
Butanoic acid, 2-amino-4-(S-butylsulfonimidoyl)-

$$$$
375575
  CML DOM 09261310252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.1912    5.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1911    8.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4902    6.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7892    8.7570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4902    8.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0883    8.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0883    6.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7892    5.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    6.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    5.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5671    3.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0344    4.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563    4.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6746    5.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9570    2.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1491    3.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3873    8.7570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1  3  1  1  0  0  0
  1 12  1  0  0  0  0
  2  5  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  6  0  0  0
 12 16  1  6  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
375575

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
90597-22-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N3O4

>  <Molecular Weight (nearest integer)>
239

>  <dtpname:Chemical Name>
CYCLOPENTENYLCYTOSINE

>  <dtpname:Chemical Name>
CYCLOPENTENYLCYTOSINE

>  <dtpname:Chemical Name>
Cyclopentenylcytosine

>  <dtpname:Chemical Name>
2(1H)-Pyrimidinone, 4-amino-1-[4,5-dihydroxy- 3-(hydroxymethyl)-2-cyclopenten-1-yl]-

$$$$
664286
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.5000    5.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672    5.2418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537    3.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7221    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7221    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0211    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6192    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9182    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2173    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2173    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9182    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6192    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0211    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
664286

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15N3O

>  <Molecular Weight (nearest integer)>
241

$$$$
10447
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2 15  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <NSC>
10447

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
81-54-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H8O5

>  <Molecular Weight (nearest integer)>
256

>  <dtpname:Chemical Name>
PURPURIN

>  <dtpname:Chemical Name>
Verantin

>  <dtpname:Chemical Name>
Purpurin

>  <dtpname:Chemical Name>
Purpurine

>  <dtpname:Chemical Name>
C.I. 58205

>  <dtpname:Chemical Name>
C.I. 75410

>  <dtpname:Chemical Name>
Smoke Brown G

>  <dtpname:Chemical Name>
Hydroxylizaric acid

>  <dtpname:Chemical Name>
1,2,4-Trihydroxyanthraquinone

>  <dtpname:Chemical Name>
1,2,4-Trihydroxy-9,10-anthraquinone

>  <dtpname:Chemical Name>
WLN: L C666 BV IVJ DQ EQ GQ

>  <dtpname:9th C.I.>
9,10-Anthracenedione, 1,2,4-trihydroxy-

>  <dtpname:8th C.I.>
Anthraquinone, 1,2,4-trihydroxy-

>  <dtpname:Czech Name>
1,2,4-Trihydroxyanthrachinon

$$$$
85998
  CML DOM 09261310252D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    5.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7182    7.3996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7182    8.8996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  1  0  0  0
  4  5  1  0  0  0  0
  4 11  1  1  0  0  0
  5 13  1  1  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
85998

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
18883-66-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H15N3O7

>  <Molecular Weight (nearest integer)>
265

>  <dtpname:USAN>
Streptozocin

>  <dtpname:Brand Name>
Zanosar

>  <dtpname:Chemical Name>
STZ

>  <dtpname:Chemical Name>
Streptozoticin

>  <dtpname:Chemical Name>
2-Deoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose

>  <dtpname:Chemical Name>
D-Glucose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-

>  <dtpname:Chemical Name>
D-Glucopyranose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-

>  <dtpname:Chemical Name>
2-Deoxy-2-(3-methyl-3-nitrosoureido)-.alpha.(and.beta.)-D-glucopyranose

>  <dtpname:Chemical Name>
U-9889

>  <dtpname:Chemical Name>
U 9889

>  <dtpname:Chemical Name>
NSC 85998

>  <dtpname:Chemical Name>
STREPTOZOCIN

>  <dtpname:Chemical Name>
STREPTOZOTOCIN, PURE

>  <dtpname:9th C.I.>
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-

>  <dtpname:8th C.I.>
Glucopyranose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-, D-

>  <dtpname:VAN>
Streptozotocin

$$$$
191384
  CML DOM 09261310252D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.3481   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
191384

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H19NO

>  <Molecular Weight (nearest integer)>
265

$$$$
310618
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -9.2091    1.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7432    1.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8746   -0.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2385   -1.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7798   -2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1316    2.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5807    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5969   -1.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3061   -1.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9990   -1.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9827    0.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2736    1.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7082   -1.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7245   -3.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4011   -1.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4619   -3.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3935    2.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3745   -0.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  7  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  5 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  1  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
310618

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H18O3

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:Chemical Name>
Manicol

>  <dtpname:Chemical Name>
NICOLINE

>  <dtpname:Chemical Name>
Nicoline

>  <dtpname:Chemical Name>
1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-2-hydroxy-4-methyl-7-(1-methylethenyl)-

$$$$
643028
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
   11.3163    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6154    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6154    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6154   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9144   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9144    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  3  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <NSC>
643028

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H10N2O

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:Chemical Name>
.para.-Phenoxybenzylidene-malononitrile

$$$$
65381
  CML DOM 09261310252D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  3  4  3  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <NSC>
65381

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
543-21-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H4N2O2

>  <Molecular Weight (nearest integer)>
112

>  <dtpname:Chemical Name>
Lenamycin

>  <dtpname:Chemical Name>
Aquamycin

>  <dtpname:Chemical Name>
CELLOCIDIN

>  <dtpname:Chemical Name>
Cellocidin

>  <dtpname:Chemical Name>
Acetylenedicarboxylic acid diamide

>  <dtpname:Chemical Name>
WLN: ZV1UU1VZ

>  <dtpname:9th C.I.>
2-Butynediamide

>  <dtpname:8th C.I.>
Acetylenedicarboxamide

$$$$
667251
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.3995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3995    3.5221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495   -2.9730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   -4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6495   -2.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
667251

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16N2

>  <Molecular Weight (nearest integer)>
248

>  <dtpname:Chemical Name>
2-Propenenitrile, 3-[3-(dimethylamino)phenyl]-2-phenyl-

$$$$
174280
  CML DOM 09261310252D

  7  5  0  0  0  0  0  0  0  0999 V2000
   -5.1495   -2.2231    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -4.3995   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8995   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495    0.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -2.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  CHG  1   1   1
M  END
>  <NSC>
174280

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
156-54-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H8O2.Na

>  <Molecular Weight (nearest integer)>
111

>  <dtpname:Chemical Name>
Butyrate sodium

>  <dtpname:Chemical Name>
Sodium butyrate

>  <dtpname:Chemical Name>
Sodium butanoate

>  <dtpname:Chemical Name>
Sodium n-butyrate

>  <dtpname:9th C.I.>
Butanoic acid, sodium salt

>  <dtpname:8th C.I.>
Butyric acid, sodium salt

$$$$
379531
  CML DOM 09261310252D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.0490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    4.6471    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    4.6471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  3  0  0  0  0
M  END
>  <NSC>
379531

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4955-79-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H4Cl2N2S

>  <Molecular Weight (nearest integer)>
231

$$$$
664331
  CML DOM 09261310252D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -7.0924    3.1637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8789    1.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231    3.3037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    7.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1240    5.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231    4.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    5.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    7.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4231    7.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7221    2.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3461    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0961    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6974    5.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8158    6.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6974    7.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2339    8.9438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2339    3.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 10  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
664331

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H12N2O2

>  <Molecular Weight (nearest integer)>
228

$$$$
13966
  CML DOM 09261310252D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.7132   -1.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0489   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214   -1.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3233   -3.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7499   -3.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3480   -3.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3397   -3.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4416   -4.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7499   -5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3480   -5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9498   -4.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0489   -6.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7868   -7.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3233   -5.7925    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8967   -6.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6470   -6.0789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1521   -2.8950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  3  1  0  0  0  0
  2  6  2  0  0  0  0
  2  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
13966

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6259-19-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N2O2S

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:Chemical Name>
Usaf nd-67

>  <dtpname:Chemical Name>
Benzidine sulfone

>  <dtpname:Chemical Name>
2,7-Diaminodiphenylenesulfone

>  <dtpname:Chemical Name>
3,7-Diaminodiphenylene sulfone

>  <dtpname:Chemical Name>
Biphenylene sulfone, 3,7-diamino-

>  <dtpname:9th C.I.>
3,7-Dibenzothiophenediamine, 5,5-dioxide

>  <dtpname:8th C.I.>
3,7-Dibenzothiophenediamine, 5,5-dioxide

$$$$
106296
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6226   -1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189   -3.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189   -2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802   -4.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802   -1.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -3.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4179   -4.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <NSC>
106296

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6756-41-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14N2O

>  <Molecular Weight (nearest integer)>
262

$$$$
191389
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.9462   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
191389

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19358-23-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H17NO

>  <Molecular Weight (nearest integer)>
251

$$$$
320846
  CML DOM 09261310252D

 19 22  0  0  0  0  0  0  0  0999 V2000
    2.0490    4.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.9906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.2406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6718    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6718    4.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7737    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6554    1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0453    3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1353    6.1308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.9906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
320846

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67199-66-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H11N3O

>  <Molecular Weight (nearest integer)>
249

>  <dtpname:Chemical Name>
BAY-H 2049

>  <dtpname:Chemical Name>
Batracyclin

>  <dtpname:Chemical Name>
Daniquidone

>  <dtpname:9th C.I.>
Isoindolo[1,2-b]quinazolin-12(10H)-one, 8-amino-

$$$$
643031
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
   11.3163    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6154    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9144    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9144   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6154   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  3  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <NSC>
643031

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H10N2O

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:Chemical Name>
.meta.-Phenoxybenzylidene-malononitrile

$$$$
40212
  CML DOM 09261310252D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -4.6891   -3.5733    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910   -3.5732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910   -8.0732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7919   -5.8232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3900   -4.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3900   -5.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910   -6.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7919   -4.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6890   -6.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5071   -3.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  8  2  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <NSC>
40212

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1780-33-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H6Cl2N2

>  <Molecular Weight (nearest integer)>
177

>  <dtpname:Chemical Name>
4,6-dichloro-2,5-dimethylpyrimidine

$$$$
1026
  CML DOM 09261310252D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.7370   -2.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9505   -2.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234   -2.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9870   -4.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4870   -4.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734   -1.5855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1531   -3.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604   -2.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9963   -4.9864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <NSC>
1026

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52-52-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H11NO2

>  <Molecular Weight (nearest integer)>
129

>  <dtpname:Chemical Name>
ACPC

>  <dtpname:Chemical Name>
X 201

>  <dtpname:Chemical Name>
CB 1639

>  <dtpname:Chemical Name>
WR 14997

>  <dtpname:Chemical Name>
NSC 1026

>  <dtpname:Chemical Name>
Cycloleucin

>  <dtpname:Chemical Name>
Cycloleucine

>  <dtpname:Chemical Name>
CYCLOLEUCINE

>  <dtpname:Chemical Name>
1-AMINOCYCLOPENTANECARBOXYLIC ACID

>  <dtpname:Chemical Name>
1-Aminocyclopentanecarboxylic acid

>  <dtpname:Chemical Name>
CYCLOPENTANECARBOXYLIC ACID, L-AMINO

>  <dtpname:Chemical Name>
1-Aminocyclopentane-1-carboxylic acid

>  <dtpname:Chemical Name>
1-Amino-1-cyclopentanecarboxylic acid

>  <dtpname:Chemical Name>
Cyclopentanecarboxylic acid, 1-amino-, L-

>  <dtpname:Chemical Name>
WLN: L5TJ AZ AVQ

>  <dtpname:9th C.I.>
Cyclopentanecarboxylic acid, 1-amino-

>  <dtpname:8th C.I.>
Cyclopentanecarboxylic acid, 1-amino-

$$$$
163501
  CML DOM 09261310252D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.3977    3.6510    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4924    1.7609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    1.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    5.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8263    2.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060    4.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2424    4.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4560    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0289    3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2060    5.9865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7060    4.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4560    5.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4560    3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  6  4  1  1  0  0  0
  8  5  1  6  0  0  0
  8  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
163501

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
42228-92-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H7ClN2O3

>  <Molecular Weight (nearest integer)>
179

>  <dtpname:Chemical Name>
ACIA

>  <dtpname:Chemical Name>
ACIVICIN

>  <dtpname:Chemical Name>
ACIVICIN

>  <dtpname:Chemical Name>
Acivicin

>  <dtpname:Chemical Name>
Antibiotic AT 125

>  <dtpname:9th C.I.>
5-Isoxazoleacetic acid, .alpha.-amino-3-chloro-4,5-dihydro-, [S-(R*,R*)]-

$$$$
602617
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.3481    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
602617

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10N2O2

>  <Molecular Weight (nearest integer)>
238

>  <dtpname:Chemical Name>
Benzo[g]quinoxaline-5,10-dione, 5,10-dihydro-2,3-dimethyl-

$$$$
674495
  CML DOM 09261310252D

 17 19  0  0  0  0  0  0  0  0999 V2000
  -11.6563   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -3.4635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -1.0365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -3.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
674495

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2S

>  <Molecular Weight (nearest integer)>
240

>  <dtpname:Chemical Name>
BENZOTHIAZOLE

>  <dtpname:Chemical Name>
Benzothiazole, 2-(4-amino-3-methylphenyl)-

>  <dtpname:Chemical Name>
Benzenamine, 4-(benzothiazol-2-yl)-2-methyl-

$$$$
22194
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.2506   -7.5032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105   -4.9619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3669   -6.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5068   -2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7068   -3.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7203   -3.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1740   -3.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1777   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568   -5.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2432   -5.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7142   -6.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2469   -6.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7179   -7.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1851   -6.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1888   -7.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7834   -7.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2543   -8.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7253   -9.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871   -8.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2580   -9.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0186   -2.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5068   -1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  0  0  0
 12  2  1  1  0  0  0
 10  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  1  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <NSC>
22194

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2529-64-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H24O

>  <Molecular Weight (nearest integer)>
256

>  <dtpname:Chemical Name>
3-Deoxyestradiol

>  <dtpname:Chemical Name>
Estradiol, 3-deoxy-

>  <dtpname:Chemical Name>
3-Deoxy-17.beta.-estradiol

>  <dtpname:Chemical Name>
17.beta.-Estradiol, 3-deoxy-

>  <dtpname:Chemical Name>
3-Deoxy-D-3,17.beta.-estradiol

>  <dtpname:Chemical Name>
1,3,5(10)-Estratriene-17.beta.-ol

>  <dtpname:Chemical Name>
17.beta.-Hydroxyestra-1,3,5(10)-triene

>  <dtpname:9th C.I.>
Estra-1,3,5(10)-trien-17-ol, (17.beta.)-

>  <dtpname:8th C.I.>
Estra-1,3,5(10)-trien-17.beta.-ol

$$$$
119686
  CML DOM 09261310252D

 19 22  0  0  0  0  0  0  0  0999 V2000
  -10.3563   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -2.5365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -3.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -6.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -6.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0573   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <NSC>
119686

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21339-68-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13NS

>  <Molecular Weight (nearest integer)>
263

>  <dtpname:Chemical Name>
Thiallipticine

>  <dtpname:Chemical Name>
THIAELLIPTICINE

>  <dtpname:Chemical Name>
Thiaellipticine

>  <dtpname:8th C.I.>
[1]Benzothieno[2,3-g]isoquinoline, 5,11-dimethyl-

$$$$
267213
  CML DOM 09261310252D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.4087    7.9258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2982   12.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2982   13.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9992   11.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9992   14.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7002   12.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7002   13.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9992   15.9388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2982   16.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9992    9.9388    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4992    9.9388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992    9.9388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9992    8.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5578    8.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9674    8.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1164    9.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2278    6.8997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
267213

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
75968-21-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H10N2O5S

>  <Molecular Weight (nearest integer)>
258

>  <dtpname:9th C.I.>
Acetic acid, [[(4-methoxyphenyl)sulfonyl]hydrazono]-

$$$$
336628
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.4457   -8.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7447   -7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438   -8.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438   -9.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7447  -10.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4457   -9.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533   -7.3587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -8.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -9.6087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4514   -7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7504   -8.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7504   -9.6087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0495   -7.3587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0495   -5.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3485   -5.1087    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7504   -5.1087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4514   -5.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524   -5.1087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
336628

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
97534-21-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9N3O3S

>  <Molecular Weight (nearest integer)>
263

>  <dtpname:Chemical Name>
MERBARONE

>  <dtpname:Chemical Name>
Merbarone

>  <dtpname:Chemical Name>
5-Pyrimidinecarboxamide, hexahydro-4,6-dioxo-N-phenyl-2-thioxo-

$$$$
659501
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
  -10.5044   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2054   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9063   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2054   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5044   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6073   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3083   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6073   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817   -4.9635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817   -2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6073   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6073   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182   -1.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
659501

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10N2O2S

>  <Molecular Weight (nearest integer)>
258

>  <dtpname:Chemical Name>
Naphtho[2,3-d]thiazole-4,9-dione, 3-methyl-2-(methylimino)-

$$$$
253272
  CML DOM 09261310252D

 13 12  0  0  0  0  0  0  0  0999 V2000
    5.4391    0.7258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4391   -0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381    1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7381    2.9758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8486   -1.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9977   -0.3230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400    1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400    2.9758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8410    0.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0371    0.7258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1091   -2.7644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3362    1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9600   -3.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <NSC>
253272

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
81424-67-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H11N3O4

>  <Molecular Weight (nearest integer)>
189

>  <dtpname:USAN>
Caracemide

>  <dtpname:Chemical Name>
CARACEMIDE

>  <dtpname:9th C.I.>
Acetamide, N-[(methylamino)carbonyl]-N-[[(methylamino)carbonyl]oxy]-

$$$$
529469
  CML DOM 09261310252D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -4.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245    2.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0245   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -1.5736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <NSC>
529469

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5854-93-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C3H7N3O4

>  <Molecular Weight (nearest integer)>
149

>  <dtpname:Chemical Name>
ALANOSINE

>  <dtpname:Chemical Name>
L-Alanosine

>  <dtpname:Chemical Name>
L-ALANOSINE

>  <dtpname:Chemical Name>
L-2-Amino-3-(hydroxynitrosamino)propionic acid

>  <dtpname:Chemical Name>
2-Amino-3-(hydroxynitrosamino)propionic acid, L-

>  <dtpname:Chemical Name>
L-2-Amino-3-[(N-nitroso)hydroxylamino]propionic acid

>  <dtpname:Chemical Name>
Propionic acid, 2-amino-3-(hydroxynitrosamino)-, (L)-

>  <dtpname:Chemical Name>
WLN: QVYZ1NQNO -L

>  <dtpname:9th C.I.>
L-Alanine, 3-(hydroxynitrosoamino)-

>  <dtpname:8th C.I.>
Propionic acid, 2-amino-3-(hydroxynitrosamino)-, L-

>  <dtpname:VAN>
Alanosine

$$$$
15200
  CML DOM 09261310252D

  5  3  0  0  0  0  0  0  0  0999 V2000
   -0.2744    1.0246    0.0000 Ga  0  0  0  0  0  0  0  0  0  0  0  0
    0.1006    4.2722    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6494    5.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006    4.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6494    2.9732    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  2   2   1   5  -1
M  END
>  <NSC>
15200

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13494-90-1

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for H3Ga in Ga.3HNO3

>  <Molecular Formula in DIS>
Ga.3HNO3

>  <Molecular Weight (nearest integer)>
259

>  <dtpname:Chemical Name>
Gallium nitrate

>  <dtpname:Chemical Name>
Gallium trinitrate

>  <dtpname:Chemical Name>
GALLIUM(III) NITRATE

>  <dtpname:Chemical Name>
Gallium(III) nitrate (1:3)

>  <dtpname:Chemical Name>
WLN: GA N-O3*3

>  <dtpname:9th C.I.>
Nitric acid, gallium salt

>  <dtpname:8th C.I.>
Nitric acid, gallium salt

$$$$
607347
  CML DOM 09261310252D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2255    3.6226    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    3.6226    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745    6.2207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    6.2207    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
607347

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H9Cl2FS

>  <Molecular Weight (nearest integer)>
239

>  <dtpname:Chemical Name>
Benzene, 1-[[2-chloro-1-(chloromethyl)ethyl]thio]-4-fluoro-

$$$$
697726
  CML DOM 09261310252D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.9976   -4.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9976   -6.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986   -6.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995   -6.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995   -4.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986   -3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986   -2.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986   -8.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005   -6.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986   -6.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2966   -3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005   -3.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995   -3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7966   -6.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0466   -8.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2966   -6.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
697726

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H14N2O3

>  <Molecular Weight (nearest integer)>
234

>  <dtpname:Chemical Name>
RH 1

>  <dtpname:Chemical Name>
RH-1

>  <dtpname:Chemical Name>
2,5-Diaziridinyl-3-(hydroxymethyl)- 6-methyl-1,4-benzoquinone

>  <dtpname:9th C.I.>
2,5-Cyclohexadiene-1,4-dione,2,5-bis(1-aziridinyl)-3-(hydroxymethyl)-6-methyl-

$$$$
29603
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6826   -0.3785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9817   -2.6285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7073    0.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7073   -2.3420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9817    0.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2807   -0.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2807   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5890   -1.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6381   -4.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1016   -5.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1708   -3.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0979   -6.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1671   -4.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6307   -6.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836   -2.6285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0405   -0.6427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9817    1.8715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
29603

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H10N6.ClH

>  <Molecular Weight (nearest integer)>
263

$$$$
145150
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.6560   -0.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9551   -2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5531    1.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714   -0.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9797    0.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9797   -0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5531   -1.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541   -0.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550   -1.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8614   -2.0413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5531   -2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9797   -3.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541   -3.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    0.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0896    2.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4432   -4.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4396   -5.7961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9105   -4.9933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1932    1.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
145150

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70857-52-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16O4

>  <Molecular Weight (nearest integer)>
260

>  <dtpname:Chemical Name>
U 36699

>  <dtpname:Chemical Name>
PENTALENOPYRAN-5-CARBOXYLIC ACID DERIV

>  <dtpname:Chemical Name>
Pentaleno[1,6a-c]pyran-5-carboxylic acid, 1,2,4,4a,6a,7-hexahydro-7,8-dimethyl-1-methylene-2-oxo-

$$$$
278619
  CML DOM 09261310252D

 17 15  0  0  0  0  0  0  0  0999 V2000
   -1.6937    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947    3.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937    2.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1937    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9437    5.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5563    7.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9437    7.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5563    5.0615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063    8.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8063    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5563   10.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9437   10.2577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8063    8.9587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563    7.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8800    8.1719    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <NSC>
278619

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H17N3O4.ClH

>  <Molecular Weight (nearest integer)>
256

>  <dtpname:Chemical Name>
PRUMYCIN

>  <dtpname:Chemical Name>
Prumycin

>  <dtpname:Chemical Name>
Prumycin HCl

>  <dtpname:Chemical Name>
L-Arabinose, 2-amino-4-[(2-amino-1-oxopropyl)amino]-2,4-dideoxy-, monohydrochloride

$$$$
382007
  CML DOM 09261310252D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    6.1471    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <NSC>
382007

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H14ClNO.ClH

>  <Molecular Weight (nearest integer)>
260

>  <dtpname:Chemical Name>
2-Propen-1-one, 1-(2-chlorophenyl)-2-[(dimethylamino) methyl]-, hydrochloride

$$$$
663996
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
    5.7221    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0211    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3202    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0211    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7221    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4230    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4230    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7221    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0211    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6192    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9182    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672    3.7582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7537    5.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    3.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
663996

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H18N2O2

>  <Molecular Weight (nearest integer)>
246

$$$$
63446
  CML DOM 09261310252D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.8340   -5.9314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7648   -7.6699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5185   -2.7469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5185   -4.2469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2685   -6.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8377   -4.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3050   -5.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7685   -6.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320   -5.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2976   -7.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2939   -8.4727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0524   -3.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3742   -3.3901    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9107   -1.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8008   -2.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <NSC>
63446

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
82499-04-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H7N5O2S

>  <Molecular Weight (nearest integer)>
213

>  <dtpname:Chemical Name>
1H-Purin-2-amime, 6-(methylsulfonyl)-

$$$$
347466
  CML DOM 09261310252D

  5  3  0  0  0  0  0  0  0  0999 V2000
   -0.1740    5.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1740    4.1987    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2744    1.0246    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -1.4730    3.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1251    3.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  1   3   1
M  END
>  <NSC>
347466

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10102-18-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
H2O3Se.2Na

>  <Molecular Weight (nearest integer)>
175

>  <dtpname:Chemical Name>
Selendale

>  <dtpname:Chemical Name>
Disodium selenite

>  <dtpname:Chemical Name>
Disodium selenium trioxide

>  <dtpname:Chemical Name>
Selenious acid, disodium salt

>  <dtpname:Chemical Name>
Sodium selenium oxide (Na2SeO3)

>  <dtpname:Chemical Name>
WLN: NA2 SE-O3

>  <dtpname:9th C.I.>
Selenious acid (H2SeO3), disodium salt

>  <dtpname:8th C.I.>
Selenious acid (H2SeO3), disodium salt

>  <dtpname:VAN>
Sodium selenite

$$$$
263500
  CML DOM 09261310252D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.2500    2.0490    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    2.0490    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0000    4.8481    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  3   1   1  12   1  13  -1
M  END
>  <NSC>
263500

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1910-42-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H14N2.2Cl

>  <Molecular Weight (nearest integer)>
257

>  <dtpname:Chemical Name>
Paraquat

>  <dtpname:Chemical Name>
Gramixel

>  <dtpname:Chemical Name>
Gramoxone

>  <dtpname:Chemical Name>
Dextrone-X

>  <dtpname:Chemical Name>
Gramoxone W

>  <dtpname:Chemical Name>
Paraquat cl

>  <dtpname:Chemical Name>
Gramoxone S

>  <dtpname:Chemical Name>
Methyl viologen

>  <dtpname:Chemical Name>
Viologen, methyl-

>  <dtpname:Chemical Name>
Paraquat chloride

>  <dtpname:Chemical Name>
Paraquat dichloride

>  <dtpname:Chemical Name>
Gramoxone dichloride

>  <dtpname:Chemical Name>
Paraquat, dichloride

>  <dtpname:Chemical Name>
Methyl viologen (reduced)

>  <dtpname:Chemical Name>
Methyl viologen dichloride

>  <dtpname:Chemical Name>
4,4'-Dimethyldipyridyl dichloride

>  <dtpname:Chemical Name>
1,1-Dimethyl-4,4-dipyridilium dichloride

>  <dtpname:Chemical Name>
1,1'-Dimethyl-4,4'-dipyridylium chloride

>  <dtpname:Chemical Name>
N,N'-Dimethyl-4,4'-dipyridylium dichloride

>  <dtpname:Chemical Name>
1,1'-Dimethyl-4,4'-dipyridylium dichloride

>  <dtpname:Chemical Name>
1,1'-Dimethyl-4,4'-bipyridynium dichloride

>  <dtpname:Chemical Name>
1,1'-Dimethyl-4,4'-bipyridinium dichloride

>  <dtpname:Chemical Name>
N,N'-Dimethyl-4,4'-bipyridinium dichloride

>  <dtpname:Chemical Name>
N,N'-Dimethyl-4,4'-bipyridylium dichloride

>  <dtpname:Chemical Name>
1,1'-DIMETHYL-4,4'-BIPYRIDINIUM, DICHLORIDE

>  <dtpname:Chemical Name>
Bipyridinium, 1,1'-dimethyl-4,4'-, dichloride

>  <dtpname:Chemical Name>
WLN: T6KJ A1 D- DT6KJ A1 &G 2

>  <dtpname:9th C.I.>
4,4'-Bipyridinium, 1,1'-dimethyl-, dichloride

>  <dtpname:8th C.I.>
4,4'-Bipyridinium, 1,1'-dimethyl-, dichloride

$$$$
13973
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  5  1  0  0  0  0
  3  7  2  0  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  2  0  0  0  0
  8 17  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 14  2  0  0  0  0
 10 13  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <NSC>
13973

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
135-49-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15N3.ClH

>  <Molecular Weight (nearest integer)>
274

>  <dtpname:Chemical Name>
Basic Yellow K

>  <dtpname:Chemical Name>
Acridine Yellow

>  <dtpname:Chemical Name>
Acridine yellow

>  <dtpname:Chemical Name>
Acridine Yellow G

>  <dtpname:Chemical Name>
Acridine yellow G

>  <dtpname:Chemical Name>
Acridine yellow H107

>  <dtpname:Chemical Name>
3,6-Diamino-2,7-dimethylacridine, hydrochloride

>  <dtpname:9th C.I.>
3,6-Acridinediamine, 2,7-dimethyl-, monohydrochloride

>  <dtpname:8th C.I.>
Acridine, 3,6-diamino-2,7-dimethyl-, monohydrochloride

$$$$
69187
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
  -13.9072   -0.3181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2844    1.6454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8209    3.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0101    1.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7110    1.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3091    1.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6081    1.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9072    1.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7110   -0.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3091   -0.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0100   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2844   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9110    0.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3009   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4027    0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1825   -2.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6743   -2.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6081   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0101    3.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0100   -2.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5724   -3.6790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0806   -3.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
69187

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10371-86-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N2O

>  <Molecular Weight (nearest integer)>
276

>  <dtpname:Chemical Name>
AT 181

>  <dtpname:Chemical Name>
ICI 180 base

>  <dtpname:Chemical Name>
B 656501K003

>  <dtpname:Chemical Name>
B 656501 K003

>  <dtpname:Chemical Name>
Methoxyelliptione

>  <dtpname:Chemical Name>
Methoxyellipticine

>  <dtpname:Chemical Name>
9-Methoxyellipticine

>  <dtpname:Chemical Name>
ELLIPTICINE, 9-METHOXY

>  <dtpname:Chemical Name>
Ellipticine, 9-methoxy-

>  <dtpname:9th C.I.>
6H-Pyrido[4,3-b]carbazole, 9-methoxy-5,11-dimethyl-

>  <dtpname:8th C.I.>
6H-Pyrido[4,3-b]carbazole, 9-methoxy-5,11-dimethyl-

$$$$
97703
  CML DOM 09261310252D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -3.9872    2.1467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9099    0.4645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4790    6.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1800    5.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7780    5.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0771    6.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3761    5.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1799    4.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7780    4.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3761    4.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4790    3.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0771    3.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4790    1.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7909    0.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0899   -0.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0899   -1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4918   -0.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7909   -2.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4918   -1.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3771    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9708    2.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 20  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 17  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
97703

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
56282-16-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14O2

>  <Molecular Weight (nearest integer)>
274

$$$$
175493
  CML DOM 09261310252D

 15 20  0  0  0  0  0  0  0  0999 V2000
    2.5537   -1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1442   -1.6474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3911    0.2627    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    7.2773   -1.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2771    1.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7771    1.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7773   -1.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0272    0.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3785    0.9134    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3786   -0.3883    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4433    0.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0504    1.3412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8361    2.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0449   -1.8507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  6  5  1  0  0  0  0
  8  5  2  0  0  0  0
  7  6  2  0  0  0  0
 11 10  2  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <NSC>
175493

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
12128-65-3

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - O(a2) connected atoms =[ C ]

>  <Molecular Formula in DIS>
C9H11FeNOS2

>  <Molecular Weight (nearest integer)>
269

>  <dtpname:Chemical Name>
Iron, carbonyl(.eta.(5)-2,4-cyclopentadien-1-yl)(dimethylcarbamodithioato-S,S')-

$$$$
308847
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.7745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    6.2207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    3.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    8.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2648    7.8907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    2.3236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7876    7.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2289    6.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7778    9.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  3 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
308847

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
69408-81-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17N3O2

>  <Molecular Weight (nearest integer)>
283

>  <dtpname:Chemical Name>
AMONAFIDE

>  <dtpname:Chemical Name>
Amonafide

>  <dtpname:Chemical Name>
Nafidimide

>  <dtpname:Chemical Name>
Benzisoquinolinedione

>  <dtpname:9th C.I.>
1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(dimethylamino)ethyl]-

$$$$
622684
  CML DOM 09261310252D

 17 16  0  0  0  0  0  0  0  0999 V2000
  -12.4413   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -6.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
622684

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H14N2O2S.ClH

>  <Molecular Weight (nearest integer)>
275

$$$$
640624
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
  -11.6563   -2.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6563   -3.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1694   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1336   -2.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -4.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -3.6596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -2.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -1.6960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -2.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -4.1231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -4.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -4.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -2.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0000   -1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -5.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -1.4096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2  5  2  0  0  0  0
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  5 18  1  0  0  0  0
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  6 10  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
640624

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N4S

>  <Molecular Weight (nearest integer)>
272

$$$$
697923
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -8.1879   -4.3191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2008   -2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0860   -3.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1961   -7.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -6.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6962   -4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4998   -2.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8701   -2.2418    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -10.0269   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -11.0836   -3.1235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  2  0  0  0  0
  3  7  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
697923

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9NO5S

>  <Molecular Weight (nearest integer)>
267

>  <dtpname:Chemical Name>
2-Nitro-5-p-toluenesulfonylfuran

$$$$
105014
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.0491    7.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0491    5.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225    5.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7408    6.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225    7.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7592    6.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2626    4.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657    9.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657   10.9636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   11.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677   10.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676    9.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    8.7136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589   11.4271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0406   10.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589    9.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1058    3.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1648    8.7136    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   13.2136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589    3.7198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
105014

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4291-63-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12ClN5O3

>  <Molecular Weight (nearest integer)>
286

>  <dtpname:USAN>
Cladribine

>  <dtpname:Brand Name>
Leustatin

>  <dtpname:Chemical Name>
Leustat

>  <dtpname:Chemical Name>
Adenosine, 2-chloro-2'-deoxy-

>  <dtpname:Chemical Name>
Cladibina

>  <dtpname:Chemical Name>
RWJ-26251

$$$$
349155
  CML DOM 09261310252D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.3481    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8435   12.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2334   10.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3353   11.9672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  7  1  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
>  <NSC>
349155

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19622-83-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H13NO6

>  <Molecular Weight (nearest integer)>
291

>  <dtpname:Chemical Name>
MARGETINE

>  <dtpname:Chemical Name>
B844009K069

>  <dtpname:Chemical Name>
LYCORICIDINE

>  <dtpname:Chemical Name>
DEOXYNARCICLASINE

>  <dtpname:Chemical Name>
Margetine lycoricidine

$$$$
19994
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.2351    3.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    0.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9077    2.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829    1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0871    2.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6224   -1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7121   -3.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5591   -2.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343   -3.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350    5.2405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2624    3.8998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0598    5.0648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4145    1.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7813   -1.9285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3541    2.0740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0196    0.0468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5846    2.7347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -5.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8837   -4.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2631   -5.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0575   -2.5021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  2 15  2  0  0  0  0
  2 16  1  0  0  0  0
  3 15  1  0  0  0  0
  3  4  2  0  0  0  0
  4 16  1  0  0  0  0
  4 13  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  2  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
19994

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
118-00-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N5O5

>  <Molecular Weight (nearest integer)>
283

>  <dtpname:Chemical Name>
Guo

>  <dtpname:Chemical Name>
Guanozin

>  <dtpname:Chemical Name>
GUANOSINE

>  <dtpname:Chemical Name>
Usaf cb-11

>  <dtpname:Chemical Name>
Guanine riboside

>  <dtpname:Chemical Name>
GUANINE-9:BETA-D-RIBOFURANOSIDE

>  <dtpname:Chemical Name>
9-.beta.-D-ribofuranosylguanine

>  <dtpname:Chemical Name>
.beta.-D-Ribofuranoside, guanine-9

>  <dtpname:Chemical Name>
Ribofuranoside, guanine-9, .beta.-D-

>  <dtpname:Chemical Name>
2(3H)-Imino-9-.beta.-D-ribofuranosyl-9H-purin-6(1H)-one

>  <dtpname:Chemical Name>
2-Amino-1,9-dihydro-9-.beta.-D-ribofuranosyl-6H-purin-6-one

>  <dtpname:Chemical Name>
6H-Purin-6-one, 2-amino-1,9-dihydro-9-.beta.-D-ribofuranosyl-

>  <dtpname:Chemical Name>
WLN: T56 BN DN FMYMVJ GUM D-BT5OTJ CQ DQ E1Q

>  <dtpname:9th C.I.>
Guanosine

>  <dtpname:8th C.I.>
Guanosine

>  <dtpname:VAN>
Vernine

>  <dtpname:VAN>
Inosine, 2-amino-

>  <dtpname:VAN>
Guanine, 9-.beta.-D-ribofuranosyl-

$$$$
70422
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.2097    2.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2274    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4939   -0.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8472    1.6454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0228    0.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791   -0.8620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0965   -2.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660   -2.9790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5502   -0.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3165    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836   -1.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5499   -0.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8164    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9237    4.2253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7171    1.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5031    3.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1212   -1.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5172   -3.2043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
70422

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3228-71-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N5O4

>  <Molecular Weight (nearest integer)>
267

>  <dtpname:Chemical Name>
.alpha.-D-Arabinofuranosyladenine

>  <dtpname:Chemical Name>
9-.alpha.-D-Arabinofuranosyladenine

>  <dtpname:9th C.I.>
9H-Purin-6-amine, 9-.alpha.-D-arabinofuranosyl-

>  <dtpname:8th C.I.>
Adenine, 9-.alpha.-D-arabinofuranosyl-

$$$$
126771
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
126771

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
36417-16-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H8Cl2O3

>  <Molecular Weight (nearest integer)>
283

>  <dtpname:Chemical Name>
DCL

>  <dtpname:Chemical Name>
NSC 126771

>  <dtpname:Chemical Name>
Dichlorolawsone

>  <dtpname:Chemical Name>
Dichlorolapachol

>  <dtpname:Chemical Name>
Dichloroallyllawsone

>  <dtpname:Chemical Name>
Dichloroallyl lawsone

>  <dtpname:Chemical Name>
Lawsone, dichlorallyl-

>  <dtpname:Chemical Name>
Dichloroallyl lawsone (DCL)

>  <dtpname:Chemical Name>
1,4-Naphthoquinone, 2-(3,3-dichloroallyl)-3-hydroxy-

>  <dtpname:9th C.I.>
1,4-Naphthalenedione, 2-(3,3-dichloro-2-propenyl)-3-hydroxy-

$$$$
185065
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.6337   -0.8025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765    1.8199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3795    7.6634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3966    6.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238    6.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340    8.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169    9.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8896    9.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3623   -2.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621   -2.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333   -0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9047    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4049    0.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5907   -3.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6763    1.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4479    3.1310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4308    4.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9035    3.9795    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    5.6819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1  9  1  0  0  0  0
  2 15  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
185065

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N5OS

>  <Molecular Weight (nearest integer)>
273

>  <dtpname:Chemical Name>
5-Hydroxy-2-pyridinecarboxaldehyde, 4-(3-pyridinyl)thiosemicarbazone

>  <dtpname:Chemical Name>
Hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methylene]-N-(3-pyridinyl)-

$$$$
404241
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.3236   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -0.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9301   -5.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -2.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2299   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -6.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3519   -9.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -8.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -7.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0248   -5.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  2  0  0  0  0
  3  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
404241

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5536-17-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N5O4

>  <Molecular Weight (nearest integer)>
267

>  <dtpname:Chemical Name>
ARA-A

>  <dtpname:Chemical Name>
Ara-A

>  <dtpname:Chemical Name>
Vira-A

>  <dtpname:Chemical Name>
CI 673

>  <dtpname:Chemical Name>
CI-673

>  <dtpname:Chemical Name>
Vira ATM

>  <dtpname:Chemical Name>
Vidarabin

>  <dtpname:Chemical Name>
NSC-404241

>  <dtpname:Chemical Name>
Vidarabine

>  <dtpname:Chemical Name>
NSC 404241

>  <dtpname:Chemical Name>
VIRDARABINE

>  <dtpname:Chemical Name>
Araadenosine

>  <dtpname:Chemical Name>
Spongoadenosine

>  <dtpname:Chemical Name>
ARA-A NSC 247519

>  <dtpname:Chemical Name>
Arabinosyladenine

>  <dtpname:Chemical Name>
Arabinosyl adenine

>  <dtpname:Chemical Name>
9-Arabinosyladenine

>  <dtpname:Chemical Name>
Adenine arabinoside

>  <dtpname:Chemical Name>
Arabinoside adenine

>  <dtpname:Chemical Name>
9-.beta.-Arabinoadenosine

>  <dtpname:Chemical Name>
.beta.-D-Arabinosyladenine

>  <dtpname:Chemical Name>
9-.beta.-Arabinosyladenine

>  <dtpname:Chemical Name>
9.beta.-D-Arabinofuranosyladenine

>  <dtpname:Chemical Name>
9-.beta.-D-Arabinofuranosyladenine

>  <dtpname:Chemical Name>
Adenine-.beta.-D-arabinofuranoside

>  <dtpname:Chemical Name>
Adenine .beta.-d-arabinofuranoside

>  <dtpname:Chemical Name>
Adenine-9-.beta.-D-arabinofuranoside

>  <dtpname:Chemical Name>
Adenine, 9.beta.-D-arabinofuranosyl-

>  <dtpname:Chemical Name>
Adenine, 9-.beta.-D-arabinofuranosyl-

>  <dtpname:Chemical Name>
6-Amino-9-.beta.-D-arabinofuranosylpurine

>  <dtpname:Chemical Name>
9H-Purin-6-amine, 9.beta.-D-arabinofuranosyl-

>  <dtpname:9th C.I.>
9-.beta.-D-Arabinofuranosyl-9H-purin-6-amine

$$$$
625641
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -9.8433   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
625641

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H13ClN2O2

>  <Molecular Weight (nearest integer)>
277

$$$$
643174
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.4577  -11.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7568  -11.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7568   -9.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4577   -8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1587   -9.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1587  -11.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4577  -13.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7568  -14.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558  -11.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558  -13.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596   -8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596   -7.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6461   -6.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1096   -4.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096   -4.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732   -6.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805   -6.8609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596   -3.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096   -2.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1096   -2.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3596   -3.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
643174

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16O3

>  <Molecular Weight (nearest integer)>
280

>  <dtpname:Chemical Name>
2-(3,4-Dimethoxybenzylidene)-1-indanone

$$$$
12825
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -6.2207    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -2.5245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   -1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 14  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
12825

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6639-96-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10BrNO

>  <Molecular Weight (nearest integer)>
300

$$$$
119875
  CML DOM 09261310252D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.0308   -1.0897    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    1.0897    1.0308    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -1.0308    1.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -1.0308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  3   1  -1   2   2   3  -1
M  END
>  <NSC>
119875

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
15663-27-1

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Cl(a1) connected atoms =[ Pt ]

>  <Molecular Formula in DIS>
Cl2H6N2Pt

>  <Molecular Weight (nearest integer)>
300

>  <dtpname:USAN>
Cisplatin

>  <dtpname:Brand Name>
Plantinol AQ

>  <dtpname:Chemical Name>
Cis-DDP

>  <dtpname:Chemical Name>
CDDP

>  <dtpname:Chemical Name>
cis-Diaminedichloroplatinum

>  <dtpname:Chemical Name>
Platinol

>  <dtpname:Chemical Name>
cis Pt II

>  <dtpname:Chemical Name>
Platiblastin

>  <dtpname:Chemical Name>
DDP

>  <dtpname:Chemical Name>
CACP

>  <dtpname:Chemical Name>
DDPt

>  <dtpname:Chemical Name>
CPDD

>  <dtpname:Chemical Name>
CISPLATIN

>  <dtpname:Chemical Name>
CISPLATIN

>  <dtpname:Chemical Name>
NCI-C55776

>  <dtpname:Chemical Name>
WLN: Z&2 PT-G2

>  <dtpname:9th C.I.>
Platinum, diamminedichloro-, (SP-4-2)-

>  <dtpname:8th C.I.>
Platinum, diamminedichloro-, cis-

$$$$
407010
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6741    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7182    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7182    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  8 16  1  0  0  0  0
  8 11  2  0  0  0  0
  9 16  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <NSC>
407010

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
528-48-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10O6

>  <Molecular Weight (nearest integer)>
286

>  <dtpname:Chemical Name>
Viset

>  <dtpname:Chemical Name>
Fietin

>  <dtpname:Chemical Name>
Fustet

>  <dtpname:Chemical Name>
Fustel

>  <dtpname:Chemical Name>
Fisetin

>  <dtpname:Chemical Name>
FISETIN

>  <dtpname:Chemical Name>
Cotinin

>  <dtpname:Chemical Name>
Fisetholz

>  <dtpname:Chemical Name>
C.I. 75620

>  <dtpname:Chemical Name>
Superfustel

>  <dtpname:Chemical Name>
Zante Fustic

>  <dtpname:Chemical Name>
Young Fustic

>  <dtpname:Chemical Name>
Superfustel K

>  <dtpname:Chemical Name>
Junger Fustik

>  <dtpname:Chemical Name>
Ventin Sumach

>  <dtpname:Chemical Name>
5-Desoxyquercetin

>  <dtpname:Chemical Name>
C.I. Natural Brown 1

>  <dtpname:Chemical Name>
Ungarisches Gelbholz

>  <dtpname:Chemical Name>
Bois bleu de Honqrie

>  <dtpname:Chemical Name>
Young Fustic Crystals

>  <dtpname:Chemical Name>
3,3',4',7-Tetrahydroxyflavone

>  <dtpname:9th C.I.>
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-

>  <dtpname:8th C.I.>
Flavone, 3,3',4',7-tetrahydroxy-

$$$$
22842
  CML DOM 09261310252D

 20 23  0  0  0  0  0  0  0  0999 V2000
    2.9731    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7757   -1.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2840   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6739   -3.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5555   -4.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0473   -4.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6574   -2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9290   -5.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821   -3.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
22842

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
479-13-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H8O5

>  <Molecular Weight (nearest integer)>
268

>  <dtpname:Chemical Name>
Cumostrol

>  <dtpname:Chemical Name>
Coumestrol

>  <dtpname:Chemical Name>
Cumoestrol

>  <dtpname:Chemical Name>
3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, .delta.-lactone

>  <dtpname:9th C.I.>
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-

>  <dtpname:8th C.I.>
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-

$$$$
71851
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.9210   -4.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1507   -0.3579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2447   -1.5534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4734   -5.1398    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4653    2.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1006   -0.1354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5666   -2.0697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5593    3.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576    3.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8273    1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6084    1.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8270   -2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363   -0.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2436   -1.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1496   -2.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5673   -3.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3153   -3.1227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321    6.2380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9939    5.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0887    4.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4 16  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 12 17  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
71851

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2133-81-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N5O3S

>  <Molecular Weight (nearest integer)>
283

>  <dtpname:Chemical Name>
.alpha.-TGdR

>  <dtpname:Chemical Name>
.alpha.-Thiodeoxyguanosine

>  <dtpname:Chemical Name>
.alpha.-2'-Deoxythioguanosine

>  <dtpname:Chemical Name>
.alpha.-2'-Deoxy-6-thioguanosine

>  <dtpname:Chemical Name>
Thioguanine 9.alpha.D-2'-deoxyriboside

>  <dtpname:Chemical Name>
9H-Purine-6-thiol, 2-amino-9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-

>  <dtpname:9th C.I.>
6H-Purine-6-thione, 2-amino-9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-1,9-dihydro-

>  <dtpname:8th C.I.>
9H-Purine-6(1H)-thione, 2-amino-9-(2-deoxy-.alpha.-D-erythro-pentofuranosyl)-

$$$$
129943
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.6740    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   10.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <NSC>
129943

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21416-87-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H16N4O4

>  <Molecular Weight (nearest integer)>
268

>  <dtpname:Chemical Name>
Razoxin

>  <dtpname:Chemical Name>
ICRF 159

>  <dtpname:Chemical Name>
ICRF 159

>  <dtpname:Chemical Name>
NSC 129943

>  <dtpname:Chemical Name>
2,6-Piperazinedione, 4,4'-propylenedi-

>  <dtpname:Chemical Name>
(+-)-1,2-Bis(3,5-dioxopiperazinyl)propane

>  <dtpname:Chemical Name>
(.+-.)-1,2-Bis(3,5-dioxopiperazinyl)propane

>  <dtpname:Chemical Name>
.+-.-(3,5,3',5'-Tetraoxo)-1,2-dipiperazinopropane

>  <dtpname:Chemical Name>
(+-)-(3,5,3',5'-Tetraoxo)-1,2-dipiperazinopropane

>  <dtpname:Chemical Name>
Propane, (.+-.)-1,2-bis(3,5-dioxopiperazin-1-yl)-

>  <dtpname:9th C.I.>
2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (+-)-

>  <dtpname:9th C.I.>
2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (.+-.)-

>  <dtpname:8th C.I.>
2,6-Piperazinedione, 4,4'-propylenedi-, (+-)-

>  <dtpname:8th C.I.>
2,6-Piperazinedione, 4,4'-propylenedi-, (.+-.)-

$$$$
191392
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.6471   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
191392

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73108-81-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14ClNO

>  <Molecular Weight (nearest integer)>
272

$$$$
406021
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -9.2559    6.7837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9569    9.0337    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9569    4.5337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9569    3.0337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2313    7.2472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6494    2.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2313    4.8202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9569    7.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6579    6.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6579    5.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3496    6.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2559    5.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7677    3.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3412    2.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3411    1.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7677    0.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2275   -1.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2313   -0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1276    0.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5547    2.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  1  0  0  0  0
  5 11  2  0  0  0  0
  5  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
406021

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
892-49-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12N4O4S

>  <Molecular Weight (nearest integer)>
284

>  <dtpname:Chemical Name>
Ara-MP

>  <dtpname:Chemical Name>
ARA-6MP

>  <dtpname:Chemical Name>
NSC-406021

>  <dtpname:Chemical Name>
NSC 406021

>  <dtpname:Chemical Name>
6MP-Arabinoside

>  <dtpname:Chemical Name>
Arabinosyl-6-mercaptopurine

>  <dtpname:Chemical Name>
Arabinofuranosyl-6-mercaptopurine

>  <dtpname:Chemical Name>
.beta.-D-Arabinosyl-6-mercaptopurine

>  <dtpname:Chemical Name>
6-Thio-9-.beta.-arabinofuranosylpurine

>  <dtpname:Chemical Name>
6-Thio-9-.beta.-D-arabinofuranosylpurine

>  <dtpname:Chemical Name>
.beta.-D-Arabinofuranosyl-6-mercaptopurine

>  <dtpname:Chemical Name>
9H-purine-6-thiol, 9-.beta.-D-arabinofuranosyl-

>  <dtpname:9th C.I.>
9-.beta.-D-Arabinofuranosyl-1,9-dihydro-6H-purine-6-thione

>  <dtpname:9th C.I.>
6H-Purine-6-thione, 9-.beta.-D-arabinofuranosyl-1,9-dihydro-

>  <dtpname:8th C.I.>
9H-Purine-6-thiol, 9-.beta.-D-arabinofuranosyl-

$$$$
627708
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -5.9461   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6961   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1961   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1961   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6961   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9461   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -2.0490    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1961   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9461   -2.0490    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -10.4461   -2.0490    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -8.1961   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  CHG  2  16   1  17  -1
M  END
>  <NSC>
627708

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11NO4S

>  <Molecular Weight (nearest integer)>
277

>  <dtpname:Chemical Name>
Benzene, 1-[(4-methylphenyl)sulfonyl]-2-nitro-

$$$$
643186
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <NSC>
643186

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H13NO

>  <Molecular Weight (nearest integer)>
283

>  <dtpname:Chemical Name>
2-Naphthylidene benzoylacetonitrile

$$$$
31702
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -5.9461   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2 14  2  0  0  0  0
  2 19  1  0  0  0  0
  3 11  2  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
31702

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6364-25-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H13N3O

>  <Molecular Weight (nearest integer)>
287

>  <dtpname:9th C.I.>
2(10H)-Phenazinone, 8-amino-10-phenyl-

>  <dtpname:8th C.I.>
2(10H)-Phenazinone, 8-amino-10-phenyl-

$$$$
168221
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.6471   -7.4892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471  -10.4892    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442   -9.7392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -7.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -8.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442   -8.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -9.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452  -10.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -7.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -8.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -8.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -10.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -5.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -5.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -3.7392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -2.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -1.4892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
168221

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N2O2S

>  <Molecular Weight (nearest integer)>
286

>  <dtpname:Chemical Name>
5H-Pyrido[3,4-b][1,4]benzothiazine-5-ethanol, acetate (ester)

$$$$
407335
  CML DOM 09261310252D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.0245    6.2745    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4109    7.6791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3090    9.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4058    9.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5241   10.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <NSC>
407335

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H13FN2O6

>  <Molecular Weight (nearest integer)>
288

$$$$
22992
  CML DOM 09261310252D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2966   -7.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <NSC>
22992

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6306-63-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H17NO3.ClH

>  <Molecular Weight (nearest integer)>
272

>  <dtpname:Chemical Name>
1-(2-carboxyphenyl)-3-(dimethyl-amino)-2-methylpropan-1-one, hydrochloride salt

$$$$
74420
  CML DOM 09261310252D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -9.2267   -6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0305   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2315   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7315   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9815   -5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6286   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9276   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3295   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9276   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6286   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2291   -7.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3295   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3295    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6286    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0305    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  8  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <NSC>
74420

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H13ClN4.ClH

>  <Molecular Weight (nearest integer)>
273

$$$$
139109
  CML DOM 09261310252D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.6471   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481  -11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4462   -2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.4462   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.7452   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  1  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
>  <NSC>
139109

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
31191-21-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N2O3

>  <Molecular Weight (nearest integer)>
282

$$$$
191393
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.8188   -7.7745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
191393

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14ClNO

>  <Molecular Weight (nearest integer)>
272

$$$$
408120
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
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   -5.9461   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <NSC>
408120

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
518-82-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10O5

>  <Molecular Weight (nearest integer)>
270

>  <dtpname:Chemical Name>
EMODIN

>  <dtpname:Chemical Name>
Emodol

>  <dtpname:Chemical Name>
Emodin

>  <dtpname:Chemical Name>
C.I. 75440

>  <dtpname:Chemical Name>
Schuttgelb

>  <dtpname:Chemical Name>
Rheum emodin

>  <dtpname:Chemical Name>
Frangula emodin

>  <dtpname:Chemical Name>
Persian Berry Lake

>  <dtpname:Chemical Name>
C.I. Natural Yellow 14

>  <dtpname:Chemical Name>
4,5,7-Trihydroxy-2-methylanthraquinone

>  <dtpname:Chemical Name>
3-Methyl-1,6,8-trihydroxyanthraquinone

>  <dtpname:Chemical Name>
1,3,8-Trihydroxy-6-methylanthraquinone

>  <dtpname:Chemical Name>
1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone

>  <dtpname:9th C.I.>
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-

>  <dtpname:8th C.I.>
Anthraquinone, 1,3,8-trihydroxy-6-methyl-

$$$$
632233
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
  -10.8487   -3.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <NSC>
632233

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H15NO2S

>  <Molecular Weight (nearest integer)>
285

$$$$
643910
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -7.5104    3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5104    1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <NSC>
643910

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N2O2S

>  <Molecular Weight (nearest integer)>
276

$$$$
36826
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.4707   -5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7697   -7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  1  0  0  0  0
  2 14  1  0  0  0  0
  2 20  1  0  0  0  0
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  3 16  1  0  0  0  0
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 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
36826

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5069-77-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10ClN5S

>  <Molecular Weight (nearest integer)>
292

>  <dtpname:Chemical Name>
Purine, 2-amino-6-(o-chlorobenzylthio)-

>  <dtpname:8th C.I.>
Purine, 2-amino-6-[(o-chlorobenzyl)thio]-

$$$$
175296
  CML DOM 09261310252D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.8481   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  2  0  0  0  0
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 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
175296

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
25528-10-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14O5

>  <Molecular Weight (nearest integer)>
286

$$$$
610744
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.5838    6.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5801    5.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.9808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7973    4.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9541    5.7844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5522    8.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512    8.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1503    8.7844    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.2067    4.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 21  2  0  0  0  0
M  CHG  2  19   1  20  -1
M  END
>  <NSC>
610744

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10ClN3O2

>  <Molecular Weight (nearest integer)>
300

>  <dtpname:Chemical Name>
Imidazole, 1-(4-chlorophenyl)-4-(4-nitrophenyl)-

$$$$
33006
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.2500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 18  1  0  0  0  0
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 12 13  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <NSC>
33006

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6265-57-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12N2OS

>  <Molecular Weight (nearest integer)>
268

$$$$
76747
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.2586    5.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6635   -1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
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 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
76747

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
525-58-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16N2

>  <Molecular Weight (nearest integer)>
272

>  <dtpname:Chemical Name>
Indole, 2-methyl-3-[(2-methyl-3H-indol-3-ylidene)methyl]-

$$$$
145669
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -7.2452   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
>  <NSC>
145669

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
31785-60-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14N2O

>  <Molecular Weight (nearest integer)>
274

>  <dtpname:9th C.I.>
4(1H)-Quinazolinone, 2,3-dihydro-2-(1-naphthalenyl)-

>  <dtpname:8th C.I.>
4(1H)-Quinazolinone, 2,3-dihydro-2-(1-naphthyl)-

$$$$
208914
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.7080    6.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6530    7.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1702    0.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  2  0  0  0  0
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 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
208914

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
33205-72-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H24N2O3

>  <Molecular Weight (nearest integer)>
280

>  <dtpname:Chemical Name>
CC 9106

$$$$
605756
  CML DOM 09261310252D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 15  1  0  0  0  0
M  END
>  <NSC>
605756

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11N3.8/5ClH

>  <Molecular Weight (nearest integer)>
268

$$$$
635404
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.6495    6.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8423    6.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3779    4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2596    5.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862    4.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862    3.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2596    2.9754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8997    2.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
635404

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H11N3O3

>  <Molecular Weight (nearest integer)>
281

$$$$
654705
  CML DOM 09261310252D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
654705

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
140674-76-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15NO4

>  <Molecular Weight (nearest integer)>
273

>  <dtpname:Chemical Name>
AG 957

>  <dtpname:Chemical Name>
AG-957

>  <dtpname:9th C.I.>
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester

$$$$
45575
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.3836    0.7589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062   -0.7409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2463    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2689    1.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9361    3.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5791    0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6017   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6485    3.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9813    0.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3142   -1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6711    1.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0040   -0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2718   -1.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5545   -3.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453   -1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716   -3.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2543   -5.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2797   -2.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5799   -4.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199   -6.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970   -3.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2972   -5.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4280    0.2426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 19  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <NSC>
45575

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2653-64-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H14N2O

>  <Molecular Weight (nearest integer)>
298

>  <dtpname:Chemical Name>
Red 2R

>  <dtpname:Chemical Name>
Oil Red B

>  <dtpname:Chemical Name>
C.I. 12170

>  <dtpname:Chemical Name>
Oil Red 2R

>  <dtpname:Chemical Name>
Grasal Red

>  <dtpname:Chemical Name>
Oil Red IIR

>  <dtpname:Chemical Name>
Oil Dark Red

>  <dtpname:Chemical Name>
Sudan Red 2R

>  <dtpname:Chemical Name>
Fat Bordeaux

>  <dtpname:Chemical Name>
Autol Red RLP

>  <dtpname:Chemical Name>
Bordeaux P51N

>  <dtpname:Chemical Name>
Bordeaux P51R

>  <dtpname:Chemical Name>
Fat Bordeaux R

>  <dtpname:Chemical Name>
Pigment Red 40

>  <dtpname:Chemical Name>
Pigment Red RLP

>  <dtpname:Chemical Name>
Waxoline Red BN

>  <dtpname:Chemical Name>
Pigment Bordeaux

>  <dtpname:Chemical Name>
Lutetia Bordeaux B

>  <dtpname:Chemical Name>
Pigment Bordeaux N

>  <dtpname:Chemical Name>
Somalia Bordeaux R

>  <dtpname:Chemical Name>
C.I. Pigment Red 40

>  <dtpname:Chemical Name>
Organol Mahogany TJ

>  <dtpname:Chemical Name>
1-(1-Naphthylazo)-2-naphthol

>  <dtpname:Chemical Name>
Dainichi Naphthylamine Bordeaux 5B

>  <dtpname:9th C.I.>
2-Naphthalenol, 1-(1-naphthalenylazo)-

>  <dtpname:8th C.I.>
C.I. Solvent Red 4

>  <dtpname:VAN>
Oil Red

$$$$
224117
  CML DOM 09261310252D

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.7500    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8923    3.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    6.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    7.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3923    3.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1423    2.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
224117

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H21N3O4

>  <Molecular Weight (nearest integer)>
295

>  <dtpname:Chemical Name>
Uracil, 5-[2-[1-(hydroxymethyl)-3-methylbutyl]amino]- carbonyl]ethenyl]6-methyl-

$$$$
611750
  CML DOM 09261310252D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.6495    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6495    2.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    8.1692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    9.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1495    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    6.8702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1495    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    2.9731    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
611750

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H17BrO3

>  <Molecular Weight (nearest integer)>
289

$$$$
35866
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.4461    5.3390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    7.8803    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847    3.6005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2384    8.5235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2384    7.0235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9884    4.7152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7245   13.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2236   13.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0203   11.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8152   10.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185   11.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3143   10.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424    6.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248    6.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4884    4.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4519    6.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9825    3.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    2.7977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4050    7.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1092    9.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
35866

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
92025-69-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N5S

>  <Molecular Weight (nearest integer)>
271

>  <dtpname:Chemical Name>
AU 135

>  <dtpname:Chemical Name>
Purine, 2-amino-6-(phenethylthio)-

>  <dtpname:Chemical Name>
Purine, 2-amino-6-(phenylethylthio)-

>  <dtpname:Chemical Name>
1H-Purin-2-amine, 6-[(2-phenylethyl)thio]-

$$$$
80396
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.3753    0.5066    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7732    3.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9706    1.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0770    4.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719    2.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783    4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0497    0.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1267   -0.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243    3.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941    0.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    1.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8657   -1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931   -2.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1647   -3.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2885   -4.1254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5364   -5.2069    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6180   -3.3820    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <NSC>
80396

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
392-29-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H7F3O2S

>  <Molecular Weight (nearest integer)>
272

>  <dtpname:Chemical Name>
1,3-Butanedione, 1-benzo[b]thien-3-yl-4,4,4-trifluoro-

$$$$
154754
  CML DOM 09261310252D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -5.7865  -10.2486    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0745   -4.9242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5380   -3.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6479   -6.8877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4480   -6.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0581   -7.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9562   -6.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0745   -7.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1764   -8.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6846   -8.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6479   -5.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -4.5060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9359   -5.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1494   -4.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0927   -6.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4630   -7.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2  3  1  0  0  0  0
  4 11  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
154754

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
78695-17-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H8BrN3O2

>  <Molecular Weight (nearest integer)>
270

>  <dtpname:Chemical Name>
Carbamic acid, (5-bromo-1H-benzimidazol-2-yl)-, methyl ester

$$$$
264880
  CML DOM 09261310252D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -5.9882    7.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6036    4.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901    7.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0911    9.3921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901   10.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0911    7.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901    5.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766    4.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6401    3.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1401    3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6892    7.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4117    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7584    2.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0218    2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6892    9.3921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3901   11.6421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4882    6.1961    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
264880

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62402-31-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H14N4O5.ClH

>  <Molecular Weight (nearest integer)>
283

>  <dtpname:Chemical Name>
DHAC

>  <dtpname:Chemical Name>
5-ACH

>  <dtpname:Chemical Name>
H5AC HCl

>  <dtpname:Chemical Name>
DIHYDRO-5-AZACYTIDINE

>  <dtpname:Chemical Name>
5,6-Dihydro-5-azacytidine hydrochloride

>  <dtpname:9th C.I.>
1,3,5-Triazin-2(1H)-one, 4-amino-3,6-dihydro-1-.beta.-D-ribofuranosyl-, monohydrochloride

$$$$
621889
  CML DOM 09261310252D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -0.4312    1.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7344    1.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8436    0.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2260   -0.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9688   -1.7054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7351   -0.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747   -1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7402   -1.0266    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1959    0.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -2.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2057   -0.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    2.9877    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  CHG  2   8   1  12  -1
M  END
>  <NSC>
621889

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H18NO.I

>  <Molecular Weight (nearest integer)>
283

>  <dtpname:Chemical Name>
Cyclopentanemethanaminium, N,N,N-trimethyl-2-oxo-, iodide

$$$$
636817
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -9.1859    6.4703    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3586    5.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3586    4.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6576    3.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9567    4.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9567    5.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6576    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1858    3.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7235    3.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0726    4.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7235    6.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7882    7.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7882    2.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3362    0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4010   -0.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9177   -0.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9825   -1.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3697    1.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3050    2.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4992   -1.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
636817

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H17NOS

>  <Molecular Weight (nearest integer)>
283

$$$$
658144
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221  -10.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202  -10.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
658144

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2O4

>  <Molecular Weight (nearest integer)>
274

>  <dtpname:Chemical Name>
2-(1-Piperazino)naphthazarin

$$$$
63701
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.5264   -0.2564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4572   -1.9948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790   -3.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609   -0.8801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5301    0.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9973    0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2109    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4244    0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4609   -0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9900   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8426   -2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3426   -2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8061   -3.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926   -4.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8916   -6.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666    2.2849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2327   -3.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926   -5.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2242   -0.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2109    2.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2109    4.4282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  1  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <NSC>
63701

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
606-58-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13N5O4

>  <Molecular Weight (nearest integer)>
291

>  <dtpname:Chemical Name>
B181008

>  <dtpname:Chemical Name>
Vengicide

>  <dtpname:Chemical Name>
Unamycin B

>  <dtpname:Chemical Name>
TOYOCAMYCIN

>  <dtpname:Chemical Name>
TOYOCAMYCIN

>  <dtpname:Chemical Name>
Toyocamycin

>  <dtpname:Chemical Name>
Antibiotic 1037

>  <dtpname:Chemical Name>
Antibiotic E 212

>  <dtpname:Chemical Name>
7-Deaza-7-cyanoadenosine

>  <dtpname:9th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-.beta.-D-ribofuranosyl-

>  <dtpname:8th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-.beta.-D-ribofuranosyl-

$$$$
233872
  CML DOM 09261310252D

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.7500    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    5.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
233872

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61827-19-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H17N3O4S

>  <Molecular Weight (nearest integer)>
299

$$$$
622616
  CML DOM 09261310252D

 21 22  0  0  0  0  0  0  0  0999 V2000
  -12.4413   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
622616

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16O6

>  <Molecular Weight (nearest integer)>
292

$$$$
49660
  CML DOM 09261310252D

 17 19  0  0  0  0  0  0  0  0999 V2000
    8.2201    4.1746    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7501    0.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.1531    2.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    2.3851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1220    0.7674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    4.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081    1.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3271    5.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1972    6.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6281    6.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    4.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    2.4221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1090    1.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1422    3.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8272    5.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0895    4.0596    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  7 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 17  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2   2  -1  17   1
M  END
>  <NSC>
49660

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6296-08-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H17N4S.Cl

>  <Molecular Weight (nearest integer)>
273

>  <dtpname:Chemical Name>
3,5,7-Triaza-1-azoniaadamantane (8CI), 1-(2-thienyl)-, chloride

>  <dtpname:Chemical Name>
Hexamethylenetetramine, compd. with thiophene, 2-(chloromethyl)-

$$$$
82116
  CML DOM 09261310252D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.5000    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500   -0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.8481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <NSC>
82116

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2507-91-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H16N6OS2

>  <Molecular Weight (nearest integer)>
276

>  <dtpname:USAN>
Gloxazone

>  <dtpname:Chemical Name>
U7726

>  <dtpname:Chemical Name>
U 7726

>  <dtpname:Chemical Name>
WR 9838

>  <dtpname:Chemical Name>
KC 1331

>  <dtpname:Chemical Name>
Gloxazon

>  <dtpname:Chemical Name>
BW 356C61

>  <dtpname:Chemical Name>
Contrapar

>  <dtpname:Chemical Name>
B.W. 356-C-61

>  <dtpname:Chemical Name>
B. W. 356-C-61

>  <dtpname:Chemical Name>
KTS, pharmaceutical

>  <dtpname:Chemical Name>
Kethoxal bis(thiosemicarbazone)

>  <dtpname:Chemical Name>
(1-Ethoxyethyl)glyoxal bis(thiosemicarbazone)

>  <dtpname:Chemical Name>
.alpha.-Ethoxyethylglyoxal dithiosemicarbazone

>  <dtpname:Chemical Name>
3-Ethoxy-2-oxobutyraldehyde bis(thiosemicarbazone)

>  <dtpname:Chemical Name>
Butyraldehyde, 3-ethoxy-2-oxo-, bis(thiosemicarbazone, hemihydrate

>  <dtpname:Chemical Name>
WLN: SUYZMNUYY1&O2&1UNMYZUS

>  <dtpname:9th C.I.>
Hydrazinecarbothioamide, 2,2'-[1-(1-ethoxyethyl)-1,2-ethanediylidene]bis-

>  <dtpname:8th C.I.>
Butyraldehyde, 3-ethoxy-2-oxo-, bis(thiosemicarbazone)

>  <dtpname:8th C.I.>
Butyraldehyde, 3-ethoxy-2-oxo-, bis(thiosemicarbazone)

>  <dtpname:VAN>
KTS

$$$$
155595
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.7184   -0.4475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0522    1.0149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7184   -3.8180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0522   -5.2804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7883   -0.6327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.1902   -0.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4893   -1.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8912   -1.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4893   -2.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8912   -2.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1902   -3.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8688    1.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3208    0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336    2.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2561   -0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6052   -2.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8376    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4503    2.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2560   -3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9023    1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3208   -4.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3856   -5.8297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  1  2  1  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  3  4  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  2  0  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <NSC>
155595

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14ClN3

>  <Molecular Weight (nearest integer)>
284

$$$$
269142
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
    6.0423    2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    1.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9109    4.0971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2463    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2029    3.5531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8707    2.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6280    4.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7911    3.3949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7043    0.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7337    3.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4444    2.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4637    1.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7723    0.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1656    3.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8710    2.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3376    1.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1358    3.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6258   -1.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9688   -0.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9314   -1.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6545   -0.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6806    2.5635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  6  0  0  0
  1 10  1  0  0  0  0
  1  5  1  0  0  0  0
  1  2  1  0  0  0  0
  2 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  6  0  0  0
  4 14  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  1  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  6  7  1  1  0  0  0
 14  7  1  1  0  0  0
 15  8  1  6  0  0  0
  9 16  1  0  0  0  0
  9 21  1  1  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  6  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
269142

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2270-41-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H22O5

>  <Molecular Weight (nearest integer)>
282

>  <dtpname:Chemical Name>
BL 5731

>  <dtpname:Chemical Name>
Scirpene-3,4,15-triol

>  <dtpname:Chemical Name>
ANGUIDINE DERIV SCIRPENTRIOL

>  <dtpname:Chemical Name>
Trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, (3.alpha.,4.beta.)-

$$$$
622627
  CML DOM 09261310252D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -4.1623   -6.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1623   -7.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8633   -8.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5642   -7.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5642   -6.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8633   -5.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652   -5.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339   -6.2691    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8633   -4.0191    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.1623   -3.2691    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5642   -3.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652   -8.5191    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0338   -7.7691    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2652  -10.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4613   -8.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2113   -7.2201    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7604   -9.2691    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7113   -9.8182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  4   9   1  10  -1  12   1  13  -1
M  END
>  <NSC>
622627

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H4ClF3N2O4

>  <Molecular Weight (nearest integer)>
285

>  <dtpname:Chemical Name>
2-(chloromethyl)-1,3-dinitro-5-(trifluoromethyl)benzene

$$$$
637731
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -8.7182   -8.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -8.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -6.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -5.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -8.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202  -10.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
637731

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15NO2

>  <Molecular Weight (nearest integer)>
277

>  <dtpname:Chemical Name>
Naphthalene-1,2-dione, 1,2-dihydro- 4-[(2-phenylethyl)amino]-

$$$$
687667
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
  -14.3202    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3202    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0212    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7221    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7221    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0212    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5494    0.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0870    0.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4362    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0870    3.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5494    3.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8832   -1.2816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6685   -0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7333   -1.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500   -1.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2188    0.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2835   -0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
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  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
687667

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H18O2

>  <Molecular Weight (nearest integer)>
278

$$$$
79456
  CML DOM 09261310252D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.1202    8.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    9.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7182    8.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7182    7.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    2.8995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2231    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    5.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    9.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  2  13   1  14  -1
M  END
>  <NSC>
79456

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
33581-08-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14N2O4

>  <Molecular Weight (nearest integer)>
286

>  <dtpname:Chemical Name>
3-Nitro-2',4'-salicyloxylidide

>  <dtpname:Chemical Name>
2',4'-Dimethyl-3-nitrosalicylanilide

>  <dtpname:9th C.I.>
Benzamide, N-(2,4-dimethylphenyl)-2-hydroxy-3-nitro-

$$$$
267033
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0163    6.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0163    4.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3153    3.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144    4.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144    6.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3153    6.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828    3.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5023    7.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5048    4.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4379    5.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    3.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9003    5.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4533    8.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9038    6.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
 18  4  1  6  0  0  0
  5  6  1  0  0  0  0
  8  5  1  6  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 14  9  1  0  0  0  0
  9 17  1  1  0  0  0
 10 11  1  0  0  0  0
 10 15  1  6  0  0  0
 16 10  1  6  0  0  0
 11 12  1  0  0  0  0
 13 11  1  6  0  0  0
 11 19  1  1  0  0  0
 13 14  1  0  0  0  0
 14 20  1  1  0  0  0
 15 16  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
267033

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4682-50-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H24O4

>  <Molecular Weight (nearest integer)>
292

>  <dtpname:Chemical Name>
WG 696

>  <dtpname:Chemical Name>
Trichodermin

>  <dtpname:Chemical Name>
Trichoderonin

>  <dtpname:9th C.I.>
Trichothec-9-en-4-ol, 12,13-epoxy-, acetate, (4.beta.)-

>  <dtpname:8th C.I.>
Trichothec-9-en-4.beta.-ol, 12,13-epoxy-,, acetate

$$$$
625487
  CML DOM 09261310252D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -7.9040   -5.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0223   -4.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
625487

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10F2N2S

>  <Molecular Weight (nearest integer)>
288

>  <dtpname:Chemical Name>
THIAZOLOBENZIMIDAZOLE

>  <dtpname:Chemical Name>
1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-difluorophenyl)-

$$$$
63878
  CML DOM 09261310252D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -1.4731   -0.7769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4866    1.0409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4813    2.7056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5201    3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422    3.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745    2.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645    1.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0301   -0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054   -1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1213   -2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6745   -4.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7752   -3.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884   -4.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6936   -1.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369    5.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    1.2316    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
63878

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
69-74-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H13N3O5.ClH

>  <Molecular Weight (nearest integer)>
280

>  <dtpname:USAN>
Cytarabine hydrochloride

>  <dtpname:Brand Name>
Cytosar-U

>  <dtpname:Chemical Name>
Cytosine arabinoside hydrochloride

>  <dtpname:Chemical Name>
Ara-C

>  <dtpname:Chemical Name>
1.beta.-D-Arabinofuranosylcytosine hydrochloride

>  <dtpname:Chemical Name>
Arabinosyl cytosine hydrochloride

>  <dtpname:Chemical Name>
Cytosar hydrochloride

>  <dtpname:Chemical Name>
Aracytin hydrochloride

>  <dtpname:Chemical Name>
Arabinosylcytosine hydrochloride

>  <dtpname:Chemical Name>
Aracytidine hydrochloride

>  <dtpname:Chemical Name>
Ara-cytidine hydrochloride

>  <dtpname:Chemical Name>
Spongocytidine-hydrochloride

>  <dtpname:Chemical Name>
Arabitin hydrochloride

>  <dtpname:Chemical Name>
Arabinofuranosylcytosine hydrochloride

>  <dtpname:Chemical Name>
Arabinosylcytosin

>  <dtpname:Chemical Name>
1.beta.-D-Arabinofuranosylcytosine monohydrochloride

>  <dtpname:Chemical Name>
Cytosine, 1-.beta.-D-arabino-furanosyl-, hydrochloride

>  <dtpname:Chemical Name>
Cytosine, 1.beta.-D-arabinofuranosyl-, monohydrochloride

>  <dtpname:Chemical Name>
Cytosine, 1-.beta.-D-arabinofuranosyl-, monhydrochloride

>  <dtpname:Chemical Name>
2(1H)-Pyrimidinone, 4-amino-1.beta.-D-arabinofuranosyl-, monohydrochloride

>  <dtpname:Chemical Name>
2(1H)-Pyrimidinone, 4-amino-1.beta.-D-arzbinofuranosyl-, monohydrochloride

>  <dtpname:Chemical Name>
Iretin

>  <dtpname:Chemical Name>
Alexan

>  <dtpname:Chemical Name>
AC 1075

>  <dtpname:Chemical Name>
U 19920

>  <dtpname:Chemical Name>
Cylocide

>  <dtpname:Chemical Name>
u-19920a

>  <dtpname:Chemical Name>
U-19920A

>  <dtpname:Chemical Name>
CA

>  <dtpname:9th C.I.>
2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-arabinofuranosyl-, monohydrochloride

$$$$
89671
  CML DOM 09261310252D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -6.7990   -4.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2009   -6.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2009   -4.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000   -3.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9019   -6.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028   -6.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028   -4.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9019   -3.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1762   -6.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7054   -5.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1763   -4.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1693   -5.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2864   -7.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9019   -2.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0981   -3.9507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2873   -2.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7990   -6.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9137   -7.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3036   -8.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8118   -8.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000   -6.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0536   -9.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  6  0  0  0
  1 17  1  0  0  0  0
  2  5  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  1  0  0  0
 17 12  1  6  0  0  0
 21 13  1  1  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  6  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
89671

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
60132-23-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H24O4

>  <Molecular Weight (nearest integer)>
280

>  <dtpname:Chemical Name>
Lunatin

>  <dtpname:Chemical Name>
Cyanein

>  <dtpname:Chemical Name>
Cyanaein

>  <dtpname:Chemical Name>
Decumbin

>  <dtpname:Chemical Name>
B 174987

>  <dtpname:Chemical Name>
Ascotoxin

>  <dtpname:Chemical Name>
Nectrolide

>  <dtpname:Chemical Name>
Brefeldin A

>  <dtpname:Chemical Name>
BREFELDIN A

>  <dtpname:Chemical Name>
BREFELDIN A

>  <dtpname:Chemical Name>
Synergisidin

>  <dtpname:Chemical Name>
(+)-Brefeldin A

>  <dtpname:Chemical Name>
Antibiotic from Penicillium cyaneum

>  <dtpname:9th C.I.>
Pfizer B 174987 4H-Cyclopent[f]oxacyclotridecin-4-one, 1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-, (1R,2E,6S,10E,11aS,13S,14aR)-

>  <dtpname:8th C.I.>
4H-Cyclopent[f]oxacyclotridecin-4-one, 1,6,7,8,9,11a.beta.,12,13,14,14a.alpha.-decahydro- 1.beta.,13.alpha.-dihydroxy-6.beta.-methyl-

$$$$
169779
  CML DOM 09261310252D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.3236    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3726    7.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   11.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1226    8.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 13  2  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
169779

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24613-06-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H16N4O4

>  <Molecular Weight (nearest integer)>
268

>  <dtpname:Chemical Name>
ICRF 186

>  <dtpname:9th C.I.>
2,6-Piperazinedione, 4,4'-(1-methyl-1,2-ethanediyl)bis-, (R)-

>  <dtpname:8th C.I.>
2,6-Piperazinedione, 4,4'-propylenedi-, (-)-

$$$$
284356
  CML DOM 09261310252D

 20 24  0  0  0  0  0  0  0  0999 V2000
   -4.1175   -1.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3765    1.9358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334    1.9358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2204   -1.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3765    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265    0.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4725    0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1065    0.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4814    0.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4814   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834    0.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -0.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4725   -1.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3265   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4534   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3265    0.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4534    0.3858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2  5  2  0  0  0  0
  3 13  2  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 16  1  0  0  0  0
 11 16  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
284356

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10403-51-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2O4

>  <Molecular Weight (nearest integer)>
272

>  <dtpname:Chemical Name>
Mitindomide

>  <dtpname:Chemical Name>
Benzenebismaleimide adduct

>  <dtpname:Chemical Name>
4,8-Ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)tetrone, octahydro-

>  <dtpname:9th C.I.>
4,8-Ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,3a,3b,4,4a,7a,8,8a,8b-octahydro-

>  <dtpname:8th C.I.>
Tricyclo[4.2.2.02,5]dec-9-ene-3,4,7,8-tetracarboxylic[3,4:7,8]diimide

$$$$
622640
  CML DOM 09261310252D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.8633   -5.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1623   -6.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1623   -7.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8633   -8.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5642   -7.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5642   -6.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652   -5.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8633   -4.0191    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.1623   -3.2692    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5642   -3.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652   -8.5191    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2652  -10.0191    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0339   -7.7691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4613   -8.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7604   -9.2692    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4613  -10.0192    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7604   -7.7692    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2652   -4.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339   -6.2691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  CHG  4   8   1   9  -1  11   1  12  -1
M  END
>  <NSC>
622640

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H4F3N3O5

>  <Molecular Weight (nearest integer)>
279

$$$$
639754
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
639754

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16N4O2

>  <Molecular Weight (nearest integer)>
284

>  <dtpname:Chemical Name>
Carbamic acid, N-[6-[(1H-pyrrol-1-yl)methyl]- 1-benzimidazol-2-yl]-, ethyl ester

$$$$
693632
  CML DOM 09261310252D

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M  END
>  <NSC>
693632

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11N5S

>  <Molecular Weight (nearest integer)>
269

>  <dtpname:Chemical Name>
2-(2-(1-(pyrimidin-4-yl)ethylidene)hydrazinyl)benzo[d]thiazole

$$$$
95848
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
95848

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1603-46-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16O5

>  <Molecular Weight (nearest integer)>
300

$$$$
292684
  CML DOM 09261310252D

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M  END
>  <NSC>
292684

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66929-50-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H20ClN3O2S

>  <Molecular Weight (nearest integer)>
294

>  <dtpname:Chemical Name>
Urea, N-[2-[(2-chloroethyl)thio]ethyl]-N'-cyclohexyl-N-nitroso-

$$$$
629301
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
629301

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
123958-41-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H8N4O

>  <Molecular Weight (nearest integer)>
296

>  <dtpname:Chemical Name>
Tetracyanoethylene-Cyclohepta[cd]benzofuran Diels Alder Adduct

$$$$
630374
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
630374

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13N3O3

>  <Molecular Weight (nearest integer)>
295

$$$$
658709
  CML DOM 09261310252D

 22 23  0  0  0  0  0  0  0  0999 V2000
  -16.3385   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
658709

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15NO4

>  <Molecular Weight (nearest integer)>
297

>  <dtpname:Chemical Name>
2-Hydroxy-N-(4-methoxyphenyl)-4-oxo-4-phenylbut-2-enamide

$$$$
68093
  CML DOM 09261310252D

 17 20  0  0  0  0  0  0  0  0999 V2000
   -5.6563   -2.2500    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7747   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5380   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5380   -3.4635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7747   -3.4635    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9646   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9646   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2636   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2636   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5627   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5627   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
  9  6  1  0  0  0  0
  8  7  1  0  0  0  0
 17 14  2  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <NSC>
68093

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Zn(a1) connected atoms =[ O O S S ]

>  <Molecular Formula in DIS>
C10H8N2O2S2Zn

>  <Molecular Weight (nearest integer)>
318

$$$$
147340
  CML DOM 09261310252D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.3958   -4.3384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8224   -4.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9688   -4.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823   -5.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4323   -2.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9323   -2.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4158   -6.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833   -7.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -7.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833   -8.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -8.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4158   -9.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -9.7201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3129   -8.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823   -6.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578   -4.8020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5725   -3.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9991   -4.2618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2606   -2.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5506   -1.6983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2501   -8.7933    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  1  0  0  0
  4 15  1  1  0  0  0
  5  6  1  0  0  0  0
  5 20  1  6  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
147340

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
22862-75-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H19NO4.ClH

>  <Molecular Weight (nearest integer)>
302

>  <dtpname:Chemical Name>
ANISOMYCIN - HCL

>  <dtpname:Chemical Name>
Anisomycin hydrochloride

>  <dtpname:Chemical Name>
Anisomycin, hydrochloride

>  <dtpname:8th C.I.>
3,4-Pyrrolidinediol, 2-(p-methoxybenzyl)-, 3-acetate, hydrochloride, cis-2,3,trans-3,4-(-)-

$$$$
328477
  CML DOM 09261310252D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    5.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.0490    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7500    2.0490    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    3.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  CHG  2  16   1  17  -1
M  END
>  <NSC>
328477

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73544-88-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11ClN2O4

>  <Molecular Weight (nearest integer)>
307

>  <dtpname:Chemical Name>
3'-Chloro-3-nitro-o-salicylotoluidide

>  <dtpname:9th C.I.>
Benzamide, N-(3-chloro-2-methylphenyl)-2-hydroxy-3-nitro-

$$$$
622732
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.7067   11.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0057   10.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3048   11.3155    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0057    9.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7067    8.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4077    9.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4077   10.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086    8.3155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086    6.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4077    6.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4077    4.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1086    3.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8096    4.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8096    6.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106    6.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    6.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2151    6.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0968    5.3155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2151    4.1020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6786    2.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5105    3.8155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
622732

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13ClN4

>  <Molecular Weight (nearest integer)>
309

$$$$
664327
  CML DOM 09261310252D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -6.9707    1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707    4.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187    4.7745    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187    3.2745    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    5.5245    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    5.8726    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7207    5.8726    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9707    4.5736    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4444    2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314    4.1945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4802    1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
 12 13  2  0  0  0  0
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 15 16  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
664327

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H15F6NO2

>  <Molecular Weight (nearest integer)>
307

$$$$
47147
  CML DOM 09261310252D

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   -3.3753   -7.3613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1978   -0.0886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4155   -2.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0440   -1.5807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1755    1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
47147

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
82-89-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25N3O

>  <Molecular Weight (nearest integer)>
323

>  <dtpname:Chemical Name>
PRODIGIOSIN

>  <dtpname:Chemical Name>
Prodigiosin

>  <dtpname:Chemical Name>
Prodigiosine

>  <dtpname:Chemical Name>
2,2'-bi-1H-Pyrrole, 4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-

>  <dtpname:9th C.I.>
2,2'-Bi-1H-pyrrole, 4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-

>  <dtpname:8th C.I.>
2,2'-Bipyrrole, 4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-

>  <dtpname:VAN>
2,2'-Bipyrrole, 4-methoxy-5-[(5-methyl-4-pentyl-2H-pyrrol-2-ylidene)methyl]-

$$$$
59269
  CML DOM 09261310252D

 22 21  0  0  0  0  0  0  0  0999 V2000
   23.5245   -7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7745   -6.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2745   -6.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5245   -4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0245   -4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2745   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7745   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0245   -4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5245   -4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7745   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2745   -3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5245   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0245   -2.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5245    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2745    1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
59269

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53584-29-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H40O3

>  <Molecular Weight (nearest integer)>
317

>  <dtpname:Chemical Name>
CHIMYL ALCOHOL

>  <dtpname:Chemical Name>
Chimyl alcohol

$$$$
28002
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.1483   -9.2611    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0688   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0688   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.1716   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8  9  1  0  0  0  0
  9 19  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  2   1  -1  19   1
M  END
>  <NSC>
28002

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14N.Cl

>  <Molecular Weight (nearest integer)>
280

>  <dtpname:Chemical Name>
Naphtho[2,1-b]quinolizinium, 7-methyl- chloride

>  <dtpname:Chemical Name>
Naphtho[2,1-b]quinolizinium, 7-methyl-, chloride

$$$$
631583
  CML DOM 09261310252D

 24 27  0  0  0  0  0  0  0  0999 V2000
    2.9180    4.9786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6190    4.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6190    2.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170    2.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170    4.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    4.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8151    4.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8151    2.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    1.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1141    4.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1141    6.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8151    7.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    6.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8151    8.7286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132    7.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5914    5.2391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6272    3.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1044    3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6174    1.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6532    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1760    1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6630    2.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7122    7.9786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 24  3  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <NSC>
631583

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H13N3O

>  <Molecular Weight (nearest integer)>
299

$$$$
659997
  CML DOM 09261310252D

 20 21  0  0  0  0  0  0  0  0999 V2000
  -12.4413   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.1423   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
659997

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11ClO6

>  <Molecular Weight (nearest integer)>
299

>  <dtpname:Chemical Name>
Naphthalene-1,4-dione, 2-chloro-5,8-dihydroxy- 3-(2-methoxyethoxy)-

$$$$
78365
  CML DOM 09261310252D

 22 23  0  0  0  0  0  0  0  0999 V2000
  -12.4413   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 22  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
78365

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H20ClN3O

>  <Molecular Weight (nearest integer)>
318

>  <dtpname:Chemical Name>
Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-

$$$$
154020
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
    3.6226   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    0.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6186   -6.6017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    0.4755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1315   -3.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315   -3.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0446   -5.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5441   -5.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0448   -6.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8548   -7.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2123   -9.6665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4831   -6.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8941   -8.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3937   -3.8880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  2  0  0  0  0
  2  8  1  0  0  0  0
  2 20  1  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <NSC>
154020

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35943-35-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H16N6O4

>  <Molecular Weight (nearest integer)>
320

>  <dtpname:Chemical Name>
TCN

>  <dtpname:Chemical Name>
Triciribine

>  <dtpname:Chemical Name>
Tricyclic nucleoside

>  <dtpname:Chemical Name>
Pentaazacentopthylene

>  <dtpname:Chemical Name>
1,4,5,6,8-Pentaazaacenaphthylene, 3-amino-1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl

>  <dtpname:Chemical Name>
1,4,5,6,8-Pentaazaacenaphthylene, 3-amino-1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl-

>  <dtpname:9th C.I.>
1,4,5,6,8-Pentaazaacennaphthylen-3-amine, 1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl-

$$$$
329279
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
  -13.2216    4.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6114    2.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1068    5.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8078    4.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1197    2.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2240    4.0217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8536    4.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8536    1.3684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6401    2.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6401    3.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7500    0.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3318    3.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8401    3.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034    5.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4375    4.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
329279

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H7Cl2N3O2

>  <Molecular Weight (nearest integer)>
308

$$$$
625483
  CML DOM 09261310252D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -3.2029   -9.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2029   -7.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9039   -6.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6048   -7.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6048   -9.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9039   -9.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8218   -9.5022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -8.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8218   -7.0752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -5.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300   -6.3251    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300   -7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436   -3.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801   -1.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7108   -3.6322    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129   -1.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6908   -2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2273   -4.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2399   -4.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310   -5.2379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
625483

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10ClFN2S

>  <Molecular Weight (nearest integer)>
305

>  <dtpname:Chemical Name>
1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-chloro-6- fluorophenyl)-

$$$$
667467
  CML DOM 09261310252D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -4.2721   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749  -11.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -6.6495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   -5.8995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
667467

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H12N2S2

>  <Molecular Weight (nearest integer)>
308

>  <dtpname:Chemical Name>
1,4-Thiazino[3,2-c]quinoline-3-thione, 2-phenyl-

$$$$
80756
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -9.4683    3.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0664    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3654    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3654    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0664    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8702    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    2.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1692   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
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  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 16  2  0  0  0  0
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 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
80756

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2878-62-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H19NO3

>  <Molecular Weight (nearest integer)>
321

>  <dtpname:Chemical Name>
4-(2,4,5-Trimethoxystyryl)quinoline

>  <dtpname:Chemical Name>
WLN: T66 BNJ E1U1R BO1 DO1 EO1

>  <dtpname:8th C.I.>
Quinoline, 4-(2,4,5-trimethoxystyryl)-

$$$$
204985
  CML DOM 09261310252D

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    0.6056    8.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7648    6.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1667   10.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 23  2  0  0  0  0
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 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
204985

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10048-13-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H12O6

>  <Molecular Weight (nearest integer)>
324

>  <dtpname:Chemical Name>
NSC 201423

>  <dtpname:Chemical Name>
Sterigmatocystin

>  <dtpname:Chemical Name>
STERIGMATOCYSTIN

>  <dtpname:Chemical Name>
3a,12c-Dihydro-8-hydroxy-6-methoxy-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one

>  <dtpname:Chemical Name>
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-

>  <dtpname:Chemical Name>
WLN: T E6 C6 B655 DO KV PO RO SU&&&TTJ IQ MO1

>  <dtpname:9th C.I.>
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-, (3aR-cis)-

>  <dtpname:9th C.I.>
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-, (3aR-cis)-

>  <dtpname:8th C.I.>
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-

$$$$
634224
  CML DOM 09261310252D

 21 24  0  0  0  0  0  0  0  0999 V2000
  -11.1478    1.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6150    1.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 16 21  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
634224

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H10N2O2

>  <Molecular Weight (nearest integer)>
274

>  <dtpname:Chemical Name>
1-Indenone, 3-hydroxy-2-(2-quinoxalinyl)-

$$$$
634863
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6493   -0.9899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8274    0.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1029    1.2889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1944   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9095    2.5535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1573   -2.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 17  2  0  0  0  0
  1 18  2  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
634863

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12O6S2

>  <Molecular Weight (nearest integer)>
292

$$$$
662553
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.1454   -0.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2102    0.6268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5439    2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2468    2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <NSC>
662553

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
106148-11-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15N3O

>  <Molecular Weight (nearest integer)>
289

>  <dtpname:Chemical Name>
Pyrazolo[3,4-d][1]benzazepin-5-one, 1,4,5,6-tetrahydro-3-methyl-1-phenyl-

$$$$
79451
  CML DOM 09261310252D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  CHG  4  14   1  15  -1  21   1  22  -1
M  END
>  <NSC>
79451

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63981-15-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11N3O6

>  <Molecular Weight (nearest integer)>
317

>  <dtpname:Chemical Name>
2'-Salicylotoluidide, 3,5'-dinitro-

>  <dtpname:Chemical Name>
2-Hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide

>  <dtpname:9th C.I.>
Benzamide, 2-hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitro-

$$$$
168415
  CML DOM 09261310252D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.0365   -6.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4635   -6.8817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -10.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -8.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -8.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000  -10.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -9.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -12.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500  -12.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0490   -2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -5.7990    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.2010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471   -5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  7  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <NSC>
168415

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H9F6NO

>  <Molecular Weight (nearest integer)>
309

>  <dtpname:Chemical Name>
5,6-Dimethyl-2-[(3,3,3-trifluoro-2-trifluoromethyl)propyl]benzoxazole

>  <dtpname:Chemical Name>
Benzoxazole, 5,6-dimethyl-2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-

$$$$
330770
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.0490    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2452    6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0394    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  2  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <NSC>
330770

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
82585-91-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17N5O2

>  <Molecular Weight (nearest integer)>
311

>  <dtpname:Chemical Name>
(5-AMINO-1,2-DIHYDRO-3-PHENYLPYRIDO[3,4-B]PYRAZIN-7-YL)CARBAMIC ACID, ETHYL ESTER

>  <dtpname:Chemical Name>
Carbamic acid, (5-amino-1,2-dihydro-3-phenylpyrido[3,4-b]pyrazin-7-yl)-, ethyl ester

$$$$
625590
  CML DOM 09261310252D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.9241    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359    2.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277    2.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3378    4.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192   11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <NSC>
625590

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H21NO

>  <Molecular Weight (nearest integer)>
315

$$$$
680506
  CML DOM 09261310252D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -9.7032  -10.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2032  -10.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4468   -9.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1902   -8.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6902   -8.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4467   -9.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1903   -8.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6903   -8.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9468   -9.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7033  -10.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2033  -10.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9468   -9.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9467   -9.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4338   -6.8631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5791   -4.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661   -6.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9598  -12.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7032  -10.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6902   -8.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <NSC>
680506

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H23NO3

>  <Molecular Weight (nearest integer)>
301

$$$$
93739
  CML DOM 09261310252D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -7.4463   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4463   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1473   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7453   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1473   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7453   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4463   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8482   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1473   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5492   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5492   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1473   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8482   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0444   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7453   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 14 15  2  0  0  0  0
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 16 21  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
93739

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
632-99-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H19N3.ClH

>  <Molecular Weight (nearest integer)>
338

>  <dtpname:Chemical Name>
Magenta

>  <dtpname:Chemical Name>
Cerise B

>  <dtpname:Chemical Name>
Fuchsine

>  <dtpname:Chemical Name>
Magenta I

>  <dtpname:Chemical Name>
12418 Red

>  <dtpname:Chemical Name>
Magenta S

>  <dtpname:Chemical Name>
Magenta E

>  <dtpname:Chemical Name>
Magenta G

>  <dtpname:Chemical Name>
Fuchsine A

>  <dtpname:Chemical Name>
Fuchsine Y

>  <dtpname:Chemical Name>
Magenta DP

>  <dtpname:Chemical Name>
Fuchsine N

>  <dtpname:Chemical Name>
Rosaniline

>  <dtpname:Chemical Name>
Fuchsine G

>  <dtpname:Chemical Name>
Magenta PN

>  <dtpname:Chemical Name>
Fuchsine CS

>  <dtpname:Chemical Name>
Fuchsine HO

>  <dtpname:Chemical Name>
Fuchsine RTN

>  <dtpname:Chemical Name>
Rose aniline

>  <dtpname:Chemical Name>
Aizen Magenta

>  <dtpname:Chemical Name>
Basic Fuchsin

>  <dtpname:Chemical Name>
Fuchsin basic

>  <dtpname:Chemical Name>
Basic Magenta

>  <dtpname:Chemical Name>
Fuchsin, basic

>  <dtpname:Chemical Name>
Mitsui Magenta

>  <dtpname:Chemical Name>
Methyl fuchsin

>  <dtpname:Chemical Name>
Diamond Fuchsin

>  <dtpname:Chemical Name>
Basic violet 14

>  <dtpname:Chemical Name>
Diamond Fuchsine

>  <dtpname:Chemical Name>
Diabasic Magenta

>  <dtpname:Chemical Name>
Magenta Powder N

>  <dtpname:Chemical Name>
Astra Fuchsine B

>  <dtpname:Chemical Name>
Fuchsine Crystals

>  <dtpname:Chemical Name>
Magenta superfine

>  <dtpname:Chemical Name>
Basic Magenta E-200

>  <dtpname:Chemical Name>
Rosaniline chloride

>  <dtpname:Chemical Name>
Orient Basic Magenta

>  <dtpname:Chemical Name>
C.I. Basic Violet 14

>  <dtpname:Chemical Name>
Calcozine Magenta XX

>  <dtpname:Chemical Name>
Calcozine Magenta RTN

>  <dtpname:Chemical Name>
Calcozine Fuchsine HO

>  <dtpname:Chemical Name>
Rosanilinium chloride

>  <dtpname:Chemical Name>
Magenta Large Crystals

>  <dtpname:Chemical Name>
Rosaniline hydrochloride

>  <dtpname:Chemical Name>
4-Amino-m-tolyl-bis(4-aminophenyl)methane chloride

>  <dtpname:Chemical Name>
2-Methyl-4,4'-[(4-imino-2,5-cyclohexadien-1-ylidene)methylene]dianiline hydrochloride

>  <dtpname:Chemical Name>
2,4-Xylidine, .alpha.(sup4)-(p-aminophenyl)-.alpha.(sup4)-(4-imino-2,5-cyclohexadien-1-ylidene)-, monohydrochloride

>  <dtpname:Chemical Name>
WLN: L6Y DYJ AUYR DZ&R DZ C1& DUM &GH

>  <dtpname:9th C.I.>
Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride

>  <dtpname:8th C.I.>
C.I. Basic Violet 14, monohydrochloride

>  <dtpname:VAN>
Basic Fuchsine

$$$$
640391
  CML DOM 09261310252D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -0.0465    0.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1321   -0.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4832   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0035   -1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2734    0.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7292   -0.3385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7720    1.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7982    0.6706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4446    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416   -3.4850    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    0.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126   -0.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8442    1.4453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0063   -1.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4093   -1.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0481    0.9235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  1  0  0  0
 17  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  1  0  0  0
 14  5  1  6  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <NSC>
640391

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H22N2O.2ClH

>  <Molecular Weight (nearest integer)>
271

>  <dtpname:Chemical Name>
Cyclopentanone, 2,5-bis[(dimethylamino)methyl]-, cis-, dihydrochloride

$$$$
39202
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -6.3658    0.5258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6648    2.7758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9638    5.0258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3658    3.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3658    5.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0667    2.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0667    5.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7677    3.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7677    5.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9638    3.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2629    2.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5619    3.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5619    5.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2629    5.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6648    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9638    0.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9638   -0.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6648   -1.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3658   -0.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0667    1.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6648    5.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
39202

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H32N2O

>  <Molecular Weight (nearest integer)>
292

>  <dtpname:Chemical Name>
Cyclohexanone, 2,6-bis(piperidinomethyl)-

$$$$
636786
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9300   -1.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097   -3.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7915   -4.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7064   -4.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679   -1.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861   -2.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246   -5.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0225   -5.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7022   -4.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8839   -2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6601    1.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616    2.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9741    3.6670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482   -0.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2475   -0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0506    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    0.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0286    1.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4411    3.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9521    3.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145   -0.8361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 13  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
636786

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14O3

>  <Molecular Weight (nearest integer)>
290

$$$$
666168
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.4608   -0.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9608   -0.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4244   -1.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2108   -2.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9973   -1.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9899    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5264   -1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5301   -2.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9645    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4317    0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8953   -1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8916   -2.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -3.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5023   -3.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2108   -5.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5099   -5.0783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2108   -7.3283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -8.8283    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.5099   -8.0783    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.5099   -3.5782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -5.0783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  2  0  0  0  0
M  CHG  2  19  -1  20   1
M  END
>  <NSC>
666168

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10N6O

>  <Molecular Weight (nearest integer)>
290

$$$$
82025
  CML DOM 09261310252D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -4.2721    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0663    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0664    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3654    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673   -0.6495    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -9.4683   -1.3995    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -12.0664   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -2.8995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.5711   -3.6495    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9731   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  CHG  4  14   1  15  -1  21   1  22  -1
M  END
>  <NSC>
82025

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73454-90-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11N3O6

>  <Molecular Weight (nearest integer)>
317

>  <dtpname:Chemical Name>
2',3-Dinitro-p-salicylotoluidide

>  <dtpname:9th C.I.>
Benzamide, 2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitro-

$$$$
175636
  CML DOM 09261310252D

 24 27  0  0  0  0  0  0  0  0999 V2000
  -12.4413   -6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6471   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
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  9 13  2  0  0  0  0
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 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <NSC>
175636

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
34934-08-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H13ClN2O

>  <Molecular Weight (nearest integer)>
309

>  <dtpname:Chemical Name>
4(1H)-Quinazolinone, 6-chloro-2,3-dihydro-2-(1-naphthalenyl)-

$$$$
352890
  CML DOM 09261310252D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.8860    4.1856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7216    2.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0606    1.5933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993   -3.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437   -3.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3894    4.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640    1.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4554   -1.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2716    2.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0472   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -2.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    0.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7707    0.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3663   -5.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1476   -0.4573    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <NSC>
352890

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
77691-03-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H14N4O4.ClH

>  <Molecular Weight (nearest integer)>
303

>  <dtpname:Chemical Name>
9-DEAZAADENOSINE

>  <dtpname:Chemical Name>
9-DEAZAADENOSINE

>  <dtpname:Chemical Name>
9-Deazaadenosine

>  <dtpname:Chemical Name>
5H-Pyrrolo[3,2-d]pyrimidine-4-amine, 7-.beta.-D- ribofuranosyl-, monohydrochloride

$$$$
629659
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
  -13.1682   -3.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1682   -2.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8692   -1.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5702   -2.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.8692   -4.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6731   -6.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9721   -6.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2711   -6.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3740   -3.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
629659

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13N3OS

>  <Molecular Weight (nearest integer)>
307

>  <dtpname:Chemical Name>
3(2H)-Pyridazinone, 2-(2-benzothiazolyl)-6-phenyl

$$$$
682864
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
  -10.7673    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5712    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0663    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0663    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5712    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -3.1005    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 20  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
682864

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16ClN3

>  <Molecular Weight (nearest integer)>
310

$$$$
106408
  CML DOM 09261310252D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.4913  -10.8346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0080  -10.6110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7864  -11.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1295   -9.3796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -7.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0080  -13.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1630  -11.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3572  -14.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3328  -11.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1386  -14.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3530  -10.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9836  -13.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659   -9.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1696   -8.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1423   -7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341   -7.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8841   -5.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341   -4.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  1  0  0  0  0
  3 11  2  0  0  0  0
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  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
 14  5  1  1  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
106408

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5544-25-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H19N3O4

>  <Molecular Weight (nearest integer)>
329

>  <dtpname:Chemical Name>
AME

>  <dtpname:Chemical Name>
B 89006

>  <dtpname:Chemical Name>
Anthramycin methyl ether

>  <dtpname:Chemical Name>
ANTHRAMYCIN METHYL ETHER

>  <dtpname:Chemical Name>
ANTHRAMYCIN METHYL ETHER

>  <dtpname:Chemical Name>
Anthramycin 11-methyl ether

>  <dtpname:Chemical Name>
Anthramycin, methyl ether, hydrate

>  <dtpname:Chemical Name>
5H-Pyrrolo[2,1-c][1,4]benzodiazepine-2-acrylamide, 1,10,11.beta.,11a.beta.-tetrahydro-9-hydroxy-11-methoxy-5-oxo-, monohydrate

>  <dtpname:9th C.I.>
2-Propenamide, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)-, [11R-(2(E),11.alpha.,11a.beta.)]-

>  <dtpname:9th C.I.>
2-Propenamide, 3-(5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl)-, [11R-[2(E),11.alpha.,11a.beta.]]-

>  <dtpname:8th C.I.>
1H-Pyrrolo[2,1-c][1,4]benzodiazepine-2-acrylamide, 5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-, (E)-

>  <dtpname:8th C.I.>
1H-Pyrrolo[2,1-c][1,4]benzodiazepine-2-acrylamide, 5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-, (E)-

>  <dtpname:VAN>
1H-Pyrrolo[2,1-c][1,4]benzodiazepine-2-acrylamide, 5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-, (E)-

>  <dtpname:VAN>
1H-Pyrrolo[2,1-c][1,4]benzodiazepine-2-acrylamide, 5,10,11,11a-tetrahydro-9-hydroxy-11-methoxy-8-methyl-5-oxo-, (E)-

$$$$
224131
  CML DOM 09261310252D

 17 15  0  0  0  0  0  0  0  0999 V2000
   -1.2256   -8.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756  -10.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4756  -10.1179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2255  -11.4170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -7.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4756   -7.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2256   -8.8189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0244   -7.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744   -8.8189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744   -6.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244   -7.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754   -5.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744   -6.2208    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0244   -4.9218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5735   -6.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735   -1.7747    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
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  9 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
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 14 16  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <NSC>
224131

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
60342-56-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H10NO8P.2Na

>  <Molecular Weight (nearest integer)>
301

>  <dtpname:Chemical Name>
PALA

>  <dtpname:Chemical Name>
PALA

>  <dtpname:9th C.I.>
L-Aspartic acid, N-(phosphonoacetyl)-, disodium salt

$$$$
60309
  CML DOM 09261310252D

 22 26  0  0  0  0  0  0  0  0999 V2000
   -5.2524   -3.8985    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.5024   -5.1975    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0024   -7.7956    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2524   -9.0946    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8035   -1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4956   -3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1025   -3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946   -4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8035   -4.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0024   -5.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2524   -9.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 12  1  0  0  0  0
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  3  4  1  0  0  0  0
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  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
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 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  CHG  4   1  -1   2   1   3   1   4  -1
M  END
>  <NSC>
60309

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
26801-94-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H10N2O2

>  <Molecular Weight (nearest integer)>
286

>  <dtpname:Chemical Name>
Acenaphtho[1,2-b]quinoxaline, 7,12-dioxide

$$$$
643175
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745    7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6226    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
643175

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H18O3

>  <Molecular Weight (nearest integer)>
294

>  <dtpname:Chemical Name>
2-(3,4-Dimethoxy benzylidene)-1-tetralone

$$$$
25149
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.4707   -8.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -6.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7339   -8.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2111   -8.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2209  -10.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0197   -9.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
  7  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 21  1  1  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  1  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
25149

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
514-10-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H30O2

>  <Molecular Weight (nearest integer)>
302

>  <dtpname:Chemical Name>
Abietate

>  <dtpname:Chemical Name>
Sylvic acid

>  <dtpname:Chemical Name>
Abietic acid

>  <dtpname:Chemical Name>
l-Abietic acid

>  <dtpname:Chemical Name>
(-)-Abietic acid

>  <dtpname:Chemical Name>
7,13-Abietadien-18-oic acid

>  <dtpname:Chemical Name>
13-Isopropylpodocarpa-7,13-dien-15-oic acid

>  <dtpname:Chemical Name>
WLN: L B666 EU GUTJ A1 EY1&1 KVQ K1

>  <dtpname:9th C.I.>
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-

>  <dtpname:8th C.I.>
Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-

$$$$
92510
  CML DOM 09261310252D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.7500    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.9462    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
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  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
92510

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14077-73-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H19Cl3N2

>  <Molecular Weight (nearest integer)>
310

$$$$
202000
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -4.9614   -3.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3025  -12.9760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3794   -4.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6331   -6.8361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044  -11.4760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -4.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2364   -5.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0796   -6.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124   -7.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1376   -5.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6294   -5.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8466   -4.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034   -6.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3025   -8.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0034   -9.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3025  -11.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2 19  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 11  2  0  0  0  0
  4 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 20  2  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
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 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
202000

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H7Cl2NO3

>  <Molecular Weight (nearest integer)>
308

$$$$
616232
  CML DOM 09261310252D

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    3.5490   -0.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5491   -9.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -7.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
616232

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H12Br2O4

>  <Molecular Weight (nearest integer)>
308

>  <dtpname:Chemical Name>
Dibromodulcitol

$$$$
631152
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5672    1.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0605    1.7852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3864    0.3211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0947   -0.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9704    0.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4938    0.2256    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3009    1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7524    2.8860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9107    3.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    3.0320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7982    1.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512    0.4218    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2247   -0.9827    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2309    0.6681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6995    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6674   -4.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5879   -2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
>  <NSC>
631152

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9N7O2S

>  <Molecular Weight (nearest integer)>
303

$$$$
1027
  CML DOM 09261310252D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.2745    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    4.7745    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
>  <NSC>
1027

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1578-05-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H7Br3O

>  <Molecular Weight (nearest integer)>
323

>  <dtpname:Chemical Name>
1,1,3-TRIBROMO-3-METHYL-2-BUTANONE

>  <dtpname:Chemical Name>
1,1,3-Tribromo-3-methyl-2-butanone

>  <dtpname:Chemical Name>
2-Butanone, 1,1,3-tribromo-3-methyl-

$$$$
118735
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
  -11.5881   -1.9946    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.8625    2.2189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3990    3.6455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  5 21  1  0  0  0  0
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 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  CHG  2  22   1  23  -1
M  END
>  <NSC>
118735

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21231-30-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H11ClN4O3

>  <Molecular Weight (nearest integer)>
331

$$$$
65937
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    8.7183    5.8995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
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 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
65937

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H9Cl2NO3

>  <Molecular Weight (nearest integer)>
322

$$$$
636132
  CML DOM 09261310252D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 22  1  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <NSC>
636132

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N2O2

>  <Molecular Weight (nearest integer)>
292

$$$$
643774
  CML DOM 09261310252D

 21 21  0  0  0  0  0  0  0  0999 V2000
    5.1495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995    0.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995   -1.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3995   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495   -2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6495   -2.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995   -4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8995   -1.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1495   -2.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    0.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
643774

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H26N2O2

>  <Molecular Weight (nearest integer)>
290

$$$$
34757
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -4.7453   -5.3018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1003   -8.9424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6117   -3.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0383   -5.5814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7618   -4.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -4.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3719   -6.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8637   -6.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4738   -7.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6117   -6.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5921   -9.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0016   -7.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2022  -10.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0383   -4.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186  -10.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833   -8.6288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2732   -9.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6434   -3.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1352   -3.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
34757

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
475-91-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15NO5

>  <Molecular Weight (nearest integer)>
313

>  <dtpname:Chemical Name>
MELICOPIDINE

>  <dtpname:Chemical Name>
Melicopidine

>  <dtpname:9th C.I.>
1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-

>  <dtpname:8th C.I.>
1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 4,11-dimethoxy-5-methyl-

$$$$
104801
  CML DOM 09261310252D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -5.9461   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5957   -6.7500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  8  9  2  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  1   7   1
M  END
>  <NSC>
104801

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2126-70-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H9BrO4.Na

>  <Molecular Weight (nearest integer)>
308

>  <dtpname:Chemical Name>
Cytembena

>  <dtpname:Chemical Name>
Acrylic acid, 3-p-anisoyl-3-bromo-, sodium salt

>  <dtpname:9th C.I.>
2-Butenoic acid, 3-bromo-4-(4-methoxyphenyl)-4-oxo-, sodium salt, (Z)-

$$$$
208913
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7080    6.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6530    7.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6421    8.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    7.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894    9.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6885    9.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7189    5.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560    7.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    5.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    7.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3840    4.6115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8839    4.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6216    5.9316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9082    2.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1704    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4080    2.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1702    0.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6701    0.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
208913

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
33396-49-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H28N2O3

>  <Molecular Weight (nearest integer)>
308

>  <dtpname:Chemical Name>
CC 9095

$$$$
618332
  CML DOM 09261310252D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.8243    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8243    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4224    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0205    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7215    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3195    5.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.3195    2.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <NSC>
618332

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13243-65-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H4Br2O2

>  <Molecular Weight (nearest integer)>
316

>  <dtpname:Chemical Name>
1,4-Naphthalenedione, 2,3-diphenyl-

$$$$
631160
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1639    7.9043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6967    7.5925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5399    6.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9102    5.4906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9139    6.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4057    6.4485    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0633    7.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3591    9.1211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4011   10.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7493    9.5426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5405    8.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6195    7.0152    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.2566    5.5598    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.0614    7.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    9.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    5.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7 11  2  0  0  0  0
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  8 15  1  0  0  0  0
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 12 13  1  0  0  0  0
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 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  2  12   1  13  -1
M  END
>  <NSC>
631160

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H11N7O2S

>  <Molecular Weight (nearest integer)>
317

>  <dtpname:Chemical Name>
Pyridine, 3-[4-methyl-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- 4H-1,2,4-triazol-3-yl]-

$$$$
4810
  CML DOM 09261310252D

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M  CHG  4  20   1  21  -1  23   1  24  -1
M  END
>  <NSC>
4810

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2058-71-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H9N5O5

>  <Molecular Weight (nearest integer)>
327

$$$$
140911
  CML DOM 09261310252D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -3.0736    0.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3726   -0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
140911

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
40939-76-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H8N2O2S3

>  <Molecular Weight (nearest integer)>
332

>  <dtpname:Chemical Name>
Isothiocyanic acid, sulfonyldi-m-phenylene ester

$$$$
41809
  CML DOM 09261310252D

 11  8  0  0  0  0  0  0  0  0999 V2000
   -0.2746   -1.0246    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9487   -3.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1987   -5.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1987   -7.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7612   -7.9450    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
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M  CHG  1  11   1
M  END
>  <NSC>
41809

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Sb(a1) connected atoms =[ ]

>  <Molecular Formula in DIS>
C4H6O4S.2Li.Sb

>  <Molecular Weight (nearest integer)>
286

$$$$
118732
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -8.8625    2.2189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3990    3.6455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4808    1.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  22   1  23  -1
M  END
>  <NSC>
118732

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21231-35-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N4O3

>  <Molecular Weight (nearest integer)>
310

$$$$
650573
  CML DOM 09261310252D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <NSC>
650573

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H12N2O2

>  <Molecular Weight (nearest integer)>
288

>  <dtpname:Chemical Name>
Naphth[2,3-d]oxazol-9-one, 2-methyl-4-(phenylimino)-

$$$$
38721
  CML DOM 09261310252D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <NSC>
38721

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53-19-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H10Cl4

>  <Molecular Weight (nearest integer)>
320

>  <dtpname:USAN>
Mitotane

>  <dtpname:Brand Name>
Lysodren

>  <dtpname:Chemical Name>
o,p'-DDD

>  <dtpname:Chemical Name>
2,4'-Dichlorodiphenyldichloroethane

>  <dtpname:Chemical Name>
o,p'-Dichlorodiphenyldichloroethane

>  <dtpname:Chemical Name>
Chloditan

>  <dtpname:Chemical Name>
Mitotan

>  <dtpname:Chemical Name>
o,p'-TDE

>  <dtpname:Chemical Name>
2,4'-DDD

>  <dtpname:Chemical Name>
(o,p)-DDD

>  <dtpname:Chemical Name>
1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane

>  <dtpname:Chemical Name>
2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane

>  <dtpname:Chemical Name>
1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

>  <dtpname:Chemical Name>
2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane

>  <dtpname:Chemical Name>
Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-

>  <dtpname:Chemical Name>
CB 313

>  <dtpname:Chemical Name>
Chlodithan

>  <dtpname:Chemical Name>
Khlodithan

>  <dtpname:Chemical Name>
Chlodithane

>  <dtpname:Chemical Name>
NSC-38721

>  <dtpname:Chemical Name>
NCI-C04933

>  <dtpname:Chemical Name>
WLN: GYGYR BG&R DG

>  <dtpname:9th C.I.>
Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-

>  <dtpname:8th C.I.>
Ethane, 1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-

$$$$
106995
  CML DOM 09261310252D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.5221    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192   11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   10.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1  8  1  0  0  0  0
  2 11  2  0  0  0  0
  2  6  1  0  0  0  0
  3 22  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <NSC>
106995

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
26786-84-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H10N2O6

>  <Molecular Weight (nearest integer)>
314

>  <dtpname:USAN>
Lomofungin

>  <dtpname:Chemical Name>
U 24792

>  <dtpname:Chemical Name>
U-24,792

>  <dtpname:Chemical Name>
LOMOFUNGIN

>  <dtpname:Chemical Name>
Lomondomycin

>  <dtpname:Chemical Name>
Methyl 6-formyl-4,7,9-trihydroxy-1-phenazinecarboxylate

>  <dtpname:9th C.I.>
1-Phenazinecarboxylic acid, 6-formyl-4,7,9-trihydroxy-, methyl ester

$$$$
266535
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.8726  -10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -7.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707  -10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1963   -5.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0780   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1963   -8.2380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  1  0  0  0
  3 11  1  0  0  0  0
  3 20  1  1  0  0  0
 11  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 18  1  6  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
266535

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
29477-83-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H13NO7

>  <Molecular Weight (nearest integer)>
307

>  <dtpname:Chemical Name>
Narciclasine

>  <dtpname:Chemical Name>
Lycorcidinol

>  <dtpname:Chemical Name>
NARCICLASINE

>  <dtpname:Chemical Name>
Narciclasina

>  <dtpname:Chemical Name>
LYCORICIDINOL

>  <dtpname:Chemical Name>
Lycoricidinol

>  <dtpname:Chemical Name>
[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (2S-(2.alpha.,3.beta.,4.beta.,4a.beta.))-

>  <dtpname:Chemical Name>
[1,2]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, [2S-(2.alpha.,3.beta.,4.beta.,4a.beta.)]-

>  <dtpname:9th C.I.>
[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, [2S-(2.alpha.,3.beta.,4.beta.,4a.beta.)]-

$$$$
619165
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6687   -0.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1769    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2953   -1.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9054   -2.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3972   -2.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2788   -1.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7054   -1.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7054   -3.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2788   -3.8059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045   -4.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3035   -3.3424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3035   -1.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045   -1.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045   -5.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3035   -6.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3035   -7.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0045   -8.5924    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.2545   -7.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7055   -9.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7545   -9.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6026   -8.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9016   -7.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
619165

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
83665-54-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H28N2Si

>  <Molecular Weight (nearest integer)>
313

>  <dtpname:9th C.I.>
1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro- 1-[3-(trimethylsilyl)-3-pentenyl]-, (E)-

$$$$
633001
  CML DOM 09261310252D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -9.4216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8236   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1226   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -0.2745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -2.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -2.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1226    1.2255    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.8236    1.9755    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -9.4216    1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2255    0.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245   -0.2745    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.2745    1.0245    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0245   -0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  7 18  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  CHG  4  14   1  15  -1  19   1  20  -1
M  END
>  <NSC>
633001

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8N2O6S

>  <Molecular Weight (nearest integer)>
308

>  <dtpname:Chemical Name>
Benzene, 1,1'-sulfonylbis(2-nitro-

$$$$
18891
  CML DOM 09261310252D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.8726   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726  -10.0245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
18891

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5453-77-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22N2S

>  <Molecular Weight (nearest integer)>
334

$$$$
224124
  CML DOM 09261310252D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9847    0.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1338   -0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0490    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    9.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5433    0.3217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <NSC>
224124

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57999-04-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12N2O8

>  <Molecular Weight (nearest integer)>
336

$$$$
635140
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -4.9216    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -2.5245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    2.7255    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.8188    2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -4.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
635140

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H9ClN2O3S

>  <Molecular Weight (nearest integer)>
297

$$$$
338259
  CML DOM 09261310252D

 21 24  0  0  0  0  0  0  0  0999 V2000
  -10.3550   -1.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5289   -7.7058    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -8.9284   -0.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7246   -5.4823    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.0796   -1.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714   -1.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695   -3.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4531   -2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3512   -4.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9448   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5550   -1.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0467   -1.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8429   -4.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1165   -5.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9284   -2.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8265   -3.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4868   -6.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3183   -3.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2164   -5.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3550   -0.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1979   -0.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 20  1  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  2  0  0  0  0
  4 17  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 18  1  0  0  0  0
M  CHG  2   2  -1   4   1
M  END
>  <NSC>
338259

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2121-16-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H12NO3.Cl

>  <Molecular Weight (nearest integer)>
302

>  <dtpname:Chemical Name>
264064

>  <dtpname:Chemical Name>
LYCOBETAINE

>  <dtpname:Chemical Name>
UNGEREMINE CHLORIDE

>  <dtpname:Chemical Name>
Lycobetaine chloride

$$$$
652287
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
  -10.0108   -4.8701    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4374   -5.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4374   -6.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0108   -7.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1291   -6.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7475   -4.8701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6291   -6.0836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7475   -7.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3209   -6.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3209   -5.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1073   -2.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1073   -4.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6808   -4.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7991   -3.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6808   -2.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6509   -4.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172   -1.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0212   -5.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
652287

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12O3S2

>  <Molecular Weight (nearest integer)>
292

>  <dtpname:Chemical Name>
SOS BISMETHANOL

>  <dtpname:Chemical Name>
Furan, 2,5-bis[5-(hydroxymethyl)-2-thienyl]-

>  <dtpname:Chemical Name>
Thiophene-2-methanol, 5,5'-(2,5-furandiyl)bis-

$$$$
65346
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.3236   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9301   -5.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -2.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -0.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2299   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -6.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4519   -7.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8080    1.9803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4519   -3.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  9  1  0  0  0  0
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  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  2  0  0  0  0
  6  8  1  0  0  0  0
  8 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
65346

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
18417-89-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15N5O5

>  <Molecular Weight (nearest integer)>
309

>  <dtpname:Chemical Name>
B 90912

>  <dtpname:Chemical Name>
SKI 27013

>  <dtpname:Chemical Name>
Sangivamycin

>  <dtpname:Chemical Name>
SANGIVAMYCIN

>  <dtpname:Chemical Name>
SANGIVAMYCIN

>  <dtpname:Chemical Name>
SANGIVAMYCIN

>  <dtpname:Chemical Name>
Antibiotic B 14437 (base)

>  <dtpname:Chemical Name>
Antibiotic from Streptomyces

>  <dtpname:Chemical Name>
7-Deazaadenosine-7-carboxamide

>  <dtpname:9th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-.beta.-D-ribofuranosyl-

>  <dtpname:8th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-.beta.-D-ribofuranosyl-

$$$$
128305
  CML DOM 09261310252D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.7159   -1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187    1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7159    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7159    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    5.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0149    1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
128305

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4712-12-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14O6

>  <Molecular Weight (nearest integer)>
314

>  <dtpname:Chemical Name>
Kampferol-3,4'-dimethyl ether

>  <dtpname:Chemical Name>
5,7-Dihydroxy-3',4'-dimethoxyflavone

>  <dtpname:9th C.I.>
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-

>  <dtpname:8th C.I.>
Flavone, 5,7-dihydroxy-3',4'-dimethoxy-

$$$$
267461
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
267461

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52934-83-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14O6

>  <Molecular Weight (nearest integer)>
302

>  <dtpname:Chemical Name>
NANAOMYCIN

>  <dtpname:Chemical Name>
Nanaomycin

>  <dtpname:Chemical Name>
Nanomycin A

>  <dtpname:Chemical Name>
Nanaomycin A

$$$$
620277
  CML DOM 09261310252D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.8726   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   13.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   13.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678   10.7745    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  3  0  0  0  0
 12 13  1  0  0  0  0
 13 15  3  0  0  0  0
 16 24  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
620277

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H17FN4

>  <Molecular Weight (nearest integer)>
320

>  <dtpname:Chemical Name>
4-N,N-bis-2'-cyanoethylaminobenzylidene-4-fluoro aniline

$$$$
637914
  CML DOM 09261310252D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.0166   13.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3156   12.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3156   10.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0166   10.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175   10.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175   12.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0166   14.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3156   15.2572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175   15.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0166    8.5072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175    7.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5815    8.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8805    7.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1796    7.0072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3156    7.7572    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0656    9.0562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5656    6.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6147    7.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9137    7.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2127    7.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2127    5.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9137    4.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6147    5.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
637914

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N2O3S

>  <Molecular Weight (nearest integer)>
314

$$$$
36693
  CML DOM 09261310252D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -9.7721    5.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7721    3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4730    2.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1740    3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8750    2.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5759    3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5759    5.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8821    0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4049    1.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4407   -0.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8036   -1.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5316   -2.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3825   -1.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9444    0.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0711    2.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1740    2.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7788    6.7772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8750    4.2532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6631    6.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4372    1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1740    5.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4730    5.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0848    7.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5848    7.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8750    5.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7910    8.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2 15  1  6  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  6  0  0  0
  4  5  1  0  0  0  0
  4 16  1  1  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 25 17  1  6  0  0  0
 21 18  1  6  0  0  0
 22 19  1  6  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <NSC>
36693

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
465-92-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H28O4

>  <Molecular Weight (nearest integer)>
332

>  <dtpname:Chemical Name>
MARRUBIN

>  <dtpname:Chemical Name>
Marrubin

>  <dtpname:Chemical Name>
Marrubiin

>  <dtpname:9th C.I.>
2H-Naphtho[1,8-bc]furan-2-one, 6-[2-(3-furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-, [2aS-(2a.alpha.,5a.beta.,6.alpha.,7.alpha.,8a.alpha.,8b.alpha.)]-

>  <dtpname:8th C.I.>
8.beta.H-Labda-13(16),14-dien-19-oic acid, 15,16-epoxy-6.beta.,9-dihydroxy-, .gamma.-lactone

$$$$
680516
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.3235    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9659    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
680516

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18N4

>  <Molecular Weight (nearest integer)>
290

$$$$
157004
  CML DOM 09261310252D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3750    9.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2094   11.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    9.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    9.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7094   11.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9240    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 18  2  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  2 23  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
157004

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35982-88-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N2O5

>  <Molecular Weight (nearest integer)>
340

>  <dtpname:Chemical Name>
NYBOMYCIN ACETATE

>  <dtpname:Chemical Name>
Nybomycin acetate

>  <dtpname:Chemical Name>
2H,4H-Oxazolo[5,4,3-ij]pyrido[3,2-g]quinoline-4,10(11H)-dione, 8-[(acetyloxy)methyl]-6,11-dimethyl-

>  <dtpname:Chemical Name>
Pyrido[3,2-g]quinoline-1(2H)-carboxaldehyde, 8,9-dihydro-4-(hydroxymethyl)-6,9-dimethyl-2,8-dioxo-, monoacetate

$$$$
651079
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.8481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    6.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8820    1.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8820    3.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5737    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0955    4.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4658    3.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6793    4.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6226    2.0663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0497    3.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
651079

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17N3O4

>  <Molecular Weight (nearest integer)>
315

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-651079

>  <dtpname:Chemical Name>
1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(1-aziridinyl)- 2,3-dihydro-3-(propionyl)-7-methyl-

$$$$
282752
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -5.3061    0.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8203   -1.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3200    1.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3484   -1.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8481    0.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3622   -0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8619    2.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8903   -0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0958    0.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900    1.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261   -0.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8038    2.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5149    0.7935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6452   -0.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    1.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4232    1.4594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547    0.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9559   -0.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5267   -0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4304   -2.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3548    0.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3940   -1.5975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360   -2.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  1 20  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 23  1  0  0  0  0
  9 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <NSC>
282752

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
22551-45-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H30O4

>  <Molecular Weight (nearest integer)>
334

>  <dtpname:Chemical Name>
EUNICIN

>  <dtpname:Chemical Name>
Eunicin

$$$$
339004
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.3750    4.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    3.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    3.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    4.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    4.7476    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    3.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    6.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750    6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250    7.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8750    6.0466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6250    9.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   11.2428    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8750    8.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8750    4.7476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 21  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
339004

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
97919-22-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H11ClN4O2S

>  <Molecular Weight (nearest integer)>
335

>  <dtpname:Chemical Name>
CHLOROQUINOXALINE SULFONAMIDE

>  <dtpname:Chemical Name>
Chloroquinoxaline sulfonamide

>  <dtpname:Chemical Name>
Benzenesulfonamide, 4-amino-N-[5-chloro-2-quinoxalinyl]-

$$$$
623135
  CML DOM 09261310252D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.0765   -6.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3756   -7.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0765   -9.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3756   -8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8206   -7.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5215   -5.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7177   -9.5967    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8206  -13.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5216  -14.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
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  8 11  1  0  0  0  0
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 15 16  2  0  0  0  0
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 19 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <NSC>
623135

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H17FO2

>  <Molecular Weight (nearest integer)>
332

$$$$
635121
  CML DOM 09261310252D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0173    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2  3  1  0  0  0  0
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M  END
>  <NSC>
635121

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15N3O2S

>  <Molecular Weight (nearest integer)>
325

$$$$
658285
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -5.9461    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3480    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3480    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355    8.9849    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7990    7.5583    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.2625    8.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    9.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355    6.1317    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2625    6.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6891    5.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6891    9.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   11.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7499   12.1165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3480   12.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
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  9 10  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  1   9   1
M  END
>  <NSC>
658285

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for C15H11ClNO2S2+ in C15H12ClNO2S2

>  <Molecular Formula in DIS>
C15H12ClNO2S2

>  <Molecular Weight (nearest integer)>
338

$$$$
123390
  CML DOM 09261310252D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.4217    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -0.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034    2.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0290    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0290   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3281    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3281    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  9  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 18  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  CHG  1  15   1
M  END
>  <NSC>
123390

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5058-45-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H18NO5

>  <Molecular Weight (nearest integer)>
352

>  <dtpname:Chemical Name>
Neo-Oxyberberine

$$$$
313981
  CML DOM 09261310252D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -0.1299   -0.2250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820   -1.6922    0.0000 Au  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2446    0.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3619   -0.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6086   -2.1557    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6712    0.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015    2.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2435    0.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
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  6  2  1  0  0  0  0
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  1 10  1  0  0  0  0
M  END
>  <NSC>
313981

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
15529-90-5

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Au(a2) connected atoms =[ P Cl ]

>  <Molecular Formula in DIS>
C6H15AuClP

>  <Molecular Weight (nearest integer)>
351

>  <dtpname:Chemical Name>
Gold, chloro(triethylphosphine)-

$$$$
616355
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -8.4924   10.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4924   12.3731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1934   13.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1934   14.6231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8944   12.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8943   10.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1934   10.1231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4678   10.4096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5861   11.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4678   12.8366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0042    8.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8859    7.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0042    6.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776    7.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776    8.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9276    2.5880    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -5.3542    3.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <NSC>
616355

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H27N5O2Si

>  <Molecular Weight (nearest integer)>
350

$$$$
643163
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
643163

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16BrNO

>  <Molecular Weight (nearest integer)>
342

>  <dtpname:Chemical Name>
2-(3-Bromo-4-dimethylamino benzylidene)-1-indanone

$$$$
1011
  CML DOM 09261310252D

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M  END
>  <NSC>
1011

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5335-97-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H18N2O3

>  <Molecular Weight (nearest integer)>
370

>  <dtpname:Chemical Name>
P-[[.ALPHA.-(8-HYDROXY-7-QUINOLYL)BENZYL]AMINO]BENZOIC ACID

$$$$
294577
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
294577

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21887-01-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H28O4

>  <Molecular Weight (nearest integer)>
332

>  <dtpname:Chemical Name>
HORMINON

$$$$
349156
  CML DOM 09261310252D

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 10  4  1  1  0  0  0
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 17 22  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
349156

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
96203-70-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H15NO8

>  <Molecular Weight (nearest integer)>
325

>  <dtpname:Chemical Name>
B844009K070

>  <dtpname:Chemical Name>
PANCRATISTATIN

>  <dtpname:Chemical Name>
PANCRATISTATIN

>  <dtpname:Chemical Name>
Pancratistatin

>  <dtpname:9th C.I.>
[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 1,3,4,4a,5,11b-hexahydro-1,2,3,4,7-pentahydroxy-,

$$$$
623637
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
623637

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16O5

>  <Molecular Weight (nearest integer)>
324

>  <dtpname:Chemical Name>
Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran- 4-yl)methoxy]-, methyl ester

$$$$
635306
  CML DOM 09261310252D

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M  END
>  <NSC>
635306

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H9Cl2NO3

>  <Molecular Weight (nearest integer)>
334

$$$$
658388
  CML DOM 09261310252D

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M  END
>  <NSC>
658388

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H25N3O.ClH

>  <Molecular Weight (nearest integer)>
336

>  <dtpname:9th C.I.>
1H-Pyrido[3,4-b]indol-1-one, 2-[4-(dimethylamino)butyl]-2,3,4,9-tetrahydro-9-methyl-, monohydrochloride

$$$$
135996
  CML DOM 09261310252D

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M  END
>  <NSC>
135996

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16N2OS.BrH

>  <Molecular Weight (nearest integer)>
353

$$$$
316157
  CML DOM 09261310252D

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M  END
>  <NSC>
316157

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18N2O5

>  <Molecular Weight (nearest integer)>
342

>  <dtpname:Chemical Name>
9,10-Anthracenedione, 1,4-dihydroxy-2-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-

$$$$
620358
  CML DOM 09261310252D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
620358

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H30O4

>  <Molecular Weight (nearest integer)>
346

>  <dtpname:Chemical Name>
Methyl 13-hydroxy-15-oxo-kaurenoate

$$$$
646189
  CML DOM 09261310252D

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   -1.4767    0.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1945    2.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6940    2.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4758    0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0228    0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8046    2.1145    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    2.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0219    0.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5215    0.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033    2.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5855    3.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860    3.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
646189

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H21NO2Se

>  <Molecular Weight (nearest integer)>
350

$$$$
14574
  CML DOM 09261310252D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.6471   -6.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471  -10.8033    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -7.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442   -8.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -8.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -7.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -8.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -7.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -8.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442  -10.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462  -10.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -10.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -10.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452  -10.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490  -10.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0442   -6.6783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -6.3033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -5.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -4.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.3033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -4.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452  -12.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
14574

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
548-57-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24N2OS.ClH

>  <Molecular Weight (nearest integer)>
377

>  <dtpname:USAN>
Lucanthone Hydrochloride

>  <dtpname:Chemical Name>
79T61

>  <dtpname:Chemical Name>
79 T61

>  <dtpname:Chemical Name>
Miracol

>  <dtpname:Chemical Name>
Nilodin

>  <dtpname:Chemical Name>
Ms. 752

>  <dtpname:Chemical Name>
BW 57223

>  <dtpname:Chemical Name>
NIH 3127

>  <dtpname:Chemical Name>
Scapuren

>  <dtpname:Chemical Name>
DR-15771

>  <dtpname:Chemical Name>
Miracil D

>  <dtpname:Chemical Name>
Tixantone

>  <dtpname:Chemical Name>
NSC 14574

>  <dtpname:Chemical Name>
CBC 900139

>  <dtpname:Chemical Name>
3735 R. P.

>  <dtpname:Chemical Name>
B.W. 57-233

>  <dtpname:Chemical Name>
Schistosomicide

>  <dtpname:Chemical Name>
Miracil D hydrochloride

>  <dtpname:Chemical Name>
Lucanthone hydrochloride

>  <dtpname:Chemical Name>
Lucanthone monohydrochloride

>  <dtpname:Chemical Name>
1-[[2-(Diethylamino)ethyl]amino]-4-methylthioxanthone

>  <dtpname:Chemical Name>
1-[[2-(Diethylamino)ethyl]amino]-4-methylthiaxanthone hydrochloride

>  <dtpname:Chemical Name>
1-(.beta.-Diethylaminoethylamino)-4-methyl-thiaxanthone hydrochloride

>  <dtpname:Chemical Name>
Thioxanthen-9-one, 1-[(2-diethylaminoethyl)amino]-4-methyl-, hydrochloride

>  <dtpname:Chemical Name>
1-[[2-(Diethylamino)ethyl]amino]-4-methylthioxanthen-9-one monohydrochloride

>  <dtpname:Chemical Name>
Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-methyl-, hydrochloride

>  <dtpname:Chemical Name>
WLN: T C666 BS IVJ D1 GM2N2&2 &GH

>  <dtpname:9th C.I.>
9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-methyl-, monohydrochloride

>  <dtpname:8th C.I.>
Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-methyl-, monohydrochloride

>  <dtpname:8th C.I.>
Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-methyl-, monohydrochloride

>  <dtpname:VAN>
Lucanthone hydrochloride

$$$$
294961
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.2764   -3.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8092   -3.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2801   -4.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3457   -5.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8166   -5.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0696  -11.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7705  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7705   -9.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4186   -7.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3494   -6.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0696   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4715  -11.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4715   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551   -9.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368  -10.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858   -7.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551  -11.7802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3368  -10.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8895   -8.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3686   -9.0667    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4186  -13.2068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 16  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <NSC>
294961

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70452-30-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H10BrNO2

>  <Molecular Weight (nearest integer)>
328

>  <dtpname:Chemical Name>
3-Phenacyliden-5-brom-2-indolinon

>  <dtpname:Chemical Name>
5-Bromo-3-(2-oxo-2-phenylethylidene)- 1,3-dihydroindol-2-one

>  <dtpname:Chemical Name>
2H-Indol-2-one, 5-bromo-1,3-dihydro-3-(2-oxo-2-phenylethylidene)-

$$$$
360861
  CML DOM 09261310252D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.0378    8.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0337    6.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    7.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0297    5.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7367    7.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6318    6.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3388    9.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3267    4.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7286    4.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357    6.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6358    8.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0796    6.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6278    5.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6399    9.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    3.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4316    5.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9369    9.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8331    7.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2849    3.8428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2706    2.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3324    7.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6824    2.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413    9.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5406    9.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 13  1  0  0  0  0
 10 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
360861

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H32O3

>  <Molecular Weight (nearest integer)>
332

>  <dtpname:Chemical Name>
KAUROIC ACID, DERIV, METHYL-ESTER

$$$$
624161
  CML DOM 09261310252D

 17 15  0  0  0  0  0  0  0  0999 V2000
   -6.7698   -4.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7698   -7.7746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708   -7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708   -5.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1718   -4.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8727   -5.5246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5737   -4.7746    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3237   -3.4756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8237   -6.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2746   -4.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1718   -7.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1718   -9.2746    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8727  -10.0246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1227   -8.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6227  -11.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5737  -10.7746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2746   -1.0246    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  4  1  1  1  0  0  0
  3  2  1  6  0  0  0
  3  4  2  0  0  0  0
  3 11  1  1  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  1  17   1
M  END
>  <NSC>
624161

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H8O6S4.2Na

>  <Molecular Weight (nearest integer)>
326

$$$$
635337
  CML DOM 09261310252D

 25 26  0  0  0  0  0  0  0  0999 V2000
  -12.4413   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  3  0  0  0  0
 10 11  2  0  0  0  0
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 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
635337

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15N3O4

>  <Molecular Weight (nearest integer)>
337

$$$$
664329
  CML DOM 09261310252D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -7.4374   -6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4374   -4.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1384   -4.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8394   -4.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8394   -6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1384   -7.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1384   -8.5564    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5403   -4.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5403   -2.5564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2413   -1.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2413   -4.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7641   -4.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7131   -4.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9736   -5.7627    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -3.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2850   -1.5915    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5018   -3.3292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527   -2.8083    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <NSC>
664329

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8ClF6NO2

>  <Molecular Weight (nearest integer)>
336

$$$$
143648
  CML DOM 09261310252D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.3236   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3482   -2.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -0.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2299   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2384   -6.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3 14  1  0  0  0  0
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  4  9  1  0  0  0  0
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  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  2  0  0  0  0
  6  8  1  0  0  0  0
  8 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <NSC>
143648

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21090-35-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H15N5O5.ClH

>  <Molecular Weight (nearest integer)>
346

>  <dtpname:Chemical Name>
Sauzivamycin

>  <dtpname:Chemical Name>
SANGIVAMYCIN - HCL

>  <dtpname:Chemical Name>
SANGIVAMYCIN HYDROCHLORIDE

>  <dtpname:Chemical Name>
SANGIVAMYCIN, HYDROCHLORIDE

>  <dtpname:Chemical Name>
Sangivamycin, hydrochloride

>  <dtpname:9th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-.beta.-D-ribofuranosyl-, monohydrochloride (MF1)

>  <dtpname:8th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-.beta.-D-ribofuranosyl-, monohydrochloride (MF1)

$$$$
320864
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.3772    9.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8772    9.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1272    8.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1272    8.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3772    7.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8772    7.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4059    6.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6 24  1  0  0  0  0
  7 19  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 10  1  0  0  0  0
  9 20  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 11 15  1  0  0  0  0
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 13 14  2  0  0  0  0
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 17 18  1  0  0  0  0
 19 23  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
320864

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H9Cl2N3O3

>  <Molecular Weight (nearest integer)>
350

$$$$
631529
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  -12.3059   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8424   -2.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.3752   -2.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.6215    0.8773    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3254   -1.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0638   -3.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1785   -2.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
631529

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H9ClN2O2S

>  <Molecular Weight (nearest integer)>
341

$$$$
646200
  CML DOM 09261310252D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.1495    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3995    6.8702    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1495    8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 15 16  1  0  0  0  0
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M  CHG  2  12   1  13  -1
M  END
>  <NSC>
646200

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H21NO4Se

>  <Molecular Weight (nearest integer)>
346

$$$$
24113
  CML DOM 09261310252D

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M  END
>  <NSC>
24113

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5459-31-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21ClN2S

>  <Molecular Weight (nearest integer)>
369

$$$$
299187
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
299187

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
69895-67-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18N2O4

>  <Molecular Weight (nearest integer)>
326

>  <dtpname:Chemical Name>
NSC 299187

>  <dtpname:Chemical Name>
9,10-Anthracenedione, 1-hydroxy-4-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-

$$$$
376791
  CML DOM 09261310252D

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M  END
>  <NSC>
376791

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
25176-29-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H26N4O4

>  <Molecular Weight (nearest integer)>
338

>  <dtpname:Chemical Name>
2,4-Imidazolidinedione, 3,3'-(1,6-hexanediyl)bis[5,5-dimethyl-

$$$$
624358
  CML DOM 09261310252D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
624358

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H14Br2O

>  <Molecular Weight (nearest integer)>
322

>  <dtpname:Chemical Name>
Tricyclo[4.4.0.0(2,7)]decane-5-one, 4,4-dibromo-2-methyl-

$$$$
636084
  CML DOM 09261310252D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
636084

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H19ClO4

>  <Molecular Weight (nearest integer)>
335

$$$$
11926
  CML DOM 09261310252D

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    5.0193    7.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1341    6.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5928    7.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    8.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514    7.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8222    5.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2809    5.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7396    6.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3956    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8543    5.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424    4.0216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1158    3.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7457    4.2301    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2311    4.4389    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1838    2.8393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8327    6.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7804    5.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1571    7.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 20  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  2  20   1  21  -1
M  END
>  <NSC>
11926

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
313-67-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H11NO7

>  <Molecular Weight (nearest integer)>
341

>  <dtpname:Chemical Name>
TR 1736

>  <dtpname:Chemical Name>
Tardolyt

>  <dtpname:Chemical Name>
Aristolochin

>  <dtpname:Chemical Name>
Aristolochic acid

>  <dtpname:Chemical Name>
ARISTOLOCHIC ACID

>  <dtpname:Chemical Name>
ARISTOLOCHIC ACID

>  <dtpname:Chemical Name>
Aristolochic acid I

>  <dtpname:9th C.I.>
Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-

>  <dtpname:8th C.I.>
Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-

$$$$
157930
  CML DOM 09261310252D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.0865    0.9160    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  -12.1798    0.1660    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
  -12.1798    4.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4788    3.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8808    3.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8808    2.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4788    2.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1798    1.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5817    0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8808   -0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2827   -0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2827   -2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8808   -2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5817   -2.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7779    0.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0769   -0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4788   -0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4788   -2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0769   -2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7779   -2.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3760   -2.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1798    6.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9836   -2.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <NSC>
157930

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
22417-22-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21S.Cl

>  <Molecular Weight (nearest integer)>
341

>  <dtpname:Chemical Name>
Sulfonium, tri-p-tolyl-, chloride

$$$$
323241
  CML DOM 09261310252D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.1028    3.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1028    4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019    5.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7009    4.6801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7009    3.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019    2.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    2.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2990    3.1801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8971    3.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5980    2.4301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8971    4.6801    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   11.4355    3.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1961    2.4301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0840    0.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1836   -0.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6668    0.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4168    1.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8688    2.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1240    1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9284    1.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
323241

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
79514-43-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H22N4Se

>  <Molecular Weight (nearest integer)>
349

>  <dtpname:Chemical Name>
3-AZABICYCLO[3.2.2]NONANE-3-CARBOSELENOIC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE

>  <dtpname:Chemical Name>
3-Azabicyclo[3.2.2]nonane-3-carboselenoic acid, [1-(2-pyridinyl)ethylidene]hydrazide

$$$$
633209
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1766    3.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    4.3563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    5.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.1063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4849    4.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4849    6.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583    6.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6984    7.2015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6984    3.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5416    2.4464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6525    4.2767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2822    3.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1254    2.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0687    4.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9228    1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7093    1.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2931    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4499    3.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2364    4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8661    3.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 12 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <NSC>
633209

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H8Cl2N4O2S

>  <Molecular Weight (nearest integer)>
355

>  <dtpname:Chemical Name>
Imidazo[2,1-b]thiazole-5-carboxamide, N-[(4-chlorophenyl)-aminocarbonyl]-

>  <dtpname:Chemical Name>
Urea, N-(4-chlorophenyl)-N'-[(6-chloroimidazo[2,1-b]-thiazol-5-yl)carbonyl]-

$$$$
647613
  CML DOM 09261310252D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -7.3580    4.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3580    6.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0589    6.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7599    6.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7599    4.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0589    3.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    6.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4516    5.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    4.2450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9516    5.4585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8698    8.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8890    8.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4659    7.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9332    7.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9369    6.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4733    4.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0061    4.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    5.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255    9.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292   11.0610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9657   12.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015   12.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9650   14.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0387   15.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5059   15.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9694   13.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3967    8.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <NSC>
647613

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H18N2O3

>  <Molecular Weight (nearest integer)>
358

$$$$
26273
  CML DOM 09261310252D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2839    2.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829   -0.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3085    2.5795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904   -2.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3085    0.1525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1902    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2839    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7721   -1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1986   -1.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1987   -3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7721   -3.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    4.3660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2839    5.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848    4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6858    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3867    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3867    4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6858    5.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3122   -6.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3085   -5.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4122   -4.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4122   -0.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  2  0  0  0  0
  3  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
26273

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6165-03-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H18N4O4S

>  <Molecular Weight (nearest integer)>
374

>  <dtpname:Chemical Name>
6-Benzylthioinosine

>  <dtpname:Chemical Name>
6-Benzylthionebularine

>  <dtpname:Chemical Name>
6-Benzylthiopurine ribonucleoside

>  <dtpname:9th C.I.>
9H-Purine, 6-[(phenylmethyl)thio]-9-.beta.-D-ribofuranosyl-

>  <dtpname:8th C.I.>
9H-Purine, 6-(benzylthio)-9-.beta.-D-ribofuranosyl-

$$$$
305782
  CML DOM 09261310252D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -1.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5442   -2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  2  0  0  0  0
  2 16  1  0  0  0  0
  2  6  2  0  0  0  0
  3 21  2  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 19  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 19  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
 11 21  1  0  0  0  0
 11 20  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
305782

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51123-99-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H11F3N4S

>  <Molecular Weight (nearest integer)>
336

>  <dtpname:Chemical Name>
2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]thio]-

$$$$
603108
  CML DOM 09261310252D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.3995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    2.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    2.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495   -0.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995    0.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8995   -1.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6495   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3995   -1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1495   -2.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8995   -1.6740    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3995   -1.6740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995    3.5221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495    4.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8995    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
603108

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H15ClFN3O2

>  <Molecular Weight (nearest integer)>
336

>  <dtpname:Chemical Name>
Clanfenur (INN)

$$$$
632536
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.0750    3.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8250    5.2672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0750    6.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    6.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    5.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    3.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4845    7.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8145    8.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4845    3.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8145    2.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    6.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    7.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250    9.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    9.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    7.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250    6.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    5.2672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   10.4634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   11.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   11.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   13.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   14.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9250   14.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   13.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <NSC>
632536

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H29N3

>  <Molecular Weight (nearest integer)>
323

>  <dtpname:Chemical Name>
1,4-Benzenediamine,N-phenyl-N'-(2,2,6,6-tetramethyl-4-piperidinyl)-

>  <dtpname:8th C.I.>
Piperidine, 4-(p-anilinoanilino)-2,2,6,6-tetramethyl-

$$$$
637578
  CML DOM 09261310252D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <NSC>
637578

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
118112-10-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H15N5

>  <Molecular Weight (nearest integer)>
325

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-637578

>  <dtpname:Chemical Name>
N-[3-(2-Pyridyl)isoquinolin-1-yl]-2-pyridinecarboxamidine

$$$$
20514
  CML DOM 09261310252D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -9.3677  -13.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697  -12.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4706  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0687  -10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
20514

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H29N3O2

>  <Molecular Weight (nearest integer)>
343

$$$$
173905
  CML DOM 09261310252D

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M  END
>  <NSC>
173905

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H25ClN2O3

>  <Molecular Weight (nearest integer)>
353

>  <dtpname:Chemical Name>
Pentanamide, 2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-

$$$$
376265
  CML DOM 09261310252D

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M  END
>  <NSC>
376265

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H29N5S

>  <Molecular Weight (nearest integer)>
360

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-376265

>  <dtpname:Chemical Name>
Piperazine-1-carbothioic acid, 4-cycloheptyl-, [1-(2-pyridyl)ethylidene]hydrazide

$$$$
634232
  CML DOM 09261310252D

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M  END
>  <NSC>
634232

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H20O3

>  <Molecular Weight (nearest integer)>
344

$$$$
651084
  CML DOM 09261310252D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
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M  END
>  <NSC>
651084

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H17N3O6

>  <Molecular Weight (nearest integer)>
347

>  <dtpname:Chemical Name>
1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 6-(acetylamino)- 2,3-dihydro-3-[methoxy(acetyloxy)]-7-methyl-

$$$$
32982
  CML DOM 09261310252D

 27 28  0  0  0  0  0  0  0  0999 V2000
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  -15.0394   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.4413   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8433   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8433   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
32982

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
458-37-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H20O6

>  <Molecular Weight (nearest integer)>
368

>  <dtpname:Chemical Name>
Haidr

>  <dtpname:Chemical Name>
Halud

>  <dtpname:Chemical Name>
Halad

>  <dtpname:Chemical Name>
Yo-Kin

>  <dtpname:Chemical Name>
Haldar

>  <dtpname:Chemical Name>
Souchet

>  <dtpname:Chemical Name>
Curcuma

>  <dtpname:Chemical Name>
CURCUMIN

>  <dtpname:Chemical Name>
Gelbwurz

>  <dtpname:Chemical Name>
Curcumin

>  <dtpname:Chemical Name>
Turmeric

>  <dtpname:Chemical Name>
C.I. 75300

>  <dtpname:Chemical Name>
Yellow Root

>  <dtpname:Chemical Name>
Kacha Haldi

>  <dtpname:Chemical Name>
Terra Merita

>  <dtpname:Chemical Name>
Merita Earth

>  <dtpname:Chemical Name>
Safran d'Inde

>  <dtpname:Chemical Name>
Yellow Ginger

>  <dtpname:Chemical Name>
Indian Saffron

>  <dtpname:Chemical Name>
Tumeric yellow

>  <dtpname:Chemical Name>
Turmeric yellow

>  <dtpname:Chemical Name>
Diferuloylmethane

>  <dtpname:Chemical Name>
C.I. Natural Yellow 3

>  <dtpname:Chemical Name>
WLN: 1OR BQ E1U1V1V1U1R DQ CO1

>  <dtpname:9th C.I.>
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-

>  <dtpname:8th C.I.>
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-

$$$$
321803
  CML DOM 09261310252D

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   -0.7834   -7.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2580   -9.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871   -8.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7289  -10.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1962  -10.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7945  -11.1592    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.7982  -12.2740    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3273  -11.4711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  6  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
 13  3  1  1  0  0  0
  4  5  1  6  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  1  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 20  2  0  0  0  0
 17 22  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
 20 24  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  CHG  2  24   1  25  -1
M  END
>  <NSC>
321803

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14846-62-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H23NO4

>  <Molecular Weight (nearest integer)>
329

>  <dtpname:Chemical Name>
4-Nitroestrone 3-methyl ether

>  <dtpname:Chemical Name>
Estra-1,3,5[10]-trien-17-one, 3-methoxy-4-nitro-

$$$$
621094
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5666   -8.1337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9847  -10.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1982  -11.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4118  -10.7738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9482   -9.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -9.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8299   -8.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9252   -8.2904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -7.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968   -5.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -4.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702   -4.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1804   -6.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2987   -7.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419  -11.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1982  -13.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8992  -13.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4973  -13.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8992  -15.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3998  -13.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6989  -13.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6989  -15.4054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3999  -16.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4519   -3.4363    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
621094

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H12FN5O2

>  <Molecular Weight (nearest integer)>
325

$$$$
632839
  CML DOM 09261310252D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    8.8187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    4.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5245   10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5245   10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5245   12.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245   10.1178    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
632839

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21NO.ClH

>  <Molecular Weight (nearest integer)>
340

>  <dtpname:Chemical Name>
4-Piperidinone, 3,5-bis[(4-methylphenyl)methylene]-, hydrochloride

$$$$
643164
  CML DOM 09261310252D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.2721    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    2.1495    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
643164

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H16BrNO

>  <Molecular Weight (nearest integer)>
330

>  <dtpname:Chemical Name>
3-Bromo-4-dimethylamino benzalacetophenone

$$$$
44690
  CML DOM 09261310252D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.3481    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    8.5442    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    7.5000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 16 24  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  2   8   1  17  -1
M  END
>  <NSC>
44690

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2150-48-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H27N2O.Cl

>  <Molecular Weight (nearest integer)>
359

>  <dtpname:Chemical Name>
Pyronin B

>  <dtpname:Chemical Name>
Pyronine B

>  <dtpname:Chemical Name>
C.I. 45010

>  <dtpname:Chemical Name>
Pyronine B(By)

>  <dtpname:Chemical Name>
Pyronine B, purified

>  <dtpname:Chemical Name>
Ammonium, (6-diethylamino-3H-xanthen-3-ylidene)diethyl-, chloride

>  <dtpname:9th C.I.>
Ethanaminium, N-[6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride

>  <dtpname:8th C.I.>
Ammonium, [6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride

$$$$
178249
  CML DOM 09261310252D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -2.1662    5.9852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056    8.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6213    4.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420    4.3082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677    8.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7648    6.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657   11.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   10.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7648   10.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7648    9.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    9.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657    8.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657    7.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    6.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677    7.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5686    6.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    4.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5686    4.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420    6.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7396    5.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7396    7.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1662    7.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677    4.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677   11.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5686   10.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657    4.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7648    4.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0638    8.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 22  1  0  0  0  0
 19  2  1  6  0  0  0
 20  3  1  6  0  0  0
  4 18  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 23  2  0  0  0  0
 17 26  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
178249

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
22897-08-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14O7

>  <Molecular Weight (nearest integer)>
354

>  <dtpname:Chemical Name>
5-MS

>  <dtpname:Chemical Name>
5-Methoxysterigmatocysin

>  <dtpname:Chemical Name>
5-Methoxysterigmatocystin

>  <dtpname:Chemical Name>
Sterigmatocystin 5(7)-methoxy-

>  <dtpname:Chemical Name>
5 or 7 Methoxysterigmatocystin

>  <dtpname:Chemical Name>
STERIGMATOCYSTIN, 5 OR 7 METHOXY-

>  <dtpname:Chemical Name>
Sterigmatocystin, 5(or 7)-methoxy-

>  <dtpname:9th C.I.>
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6,11-dimethoxy-, (3aR-cis)-

>  <dtpname:8th C.I.>
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6,11-dimethoxy-, (3aR-cis)-

$$$$
382766
  CML DOM 09261310252D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -0.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    3.6226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245    7.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    4.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245   10.1178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3236    6.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7255    8.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745    8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5245   10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245   12.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120   11.0921    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
382766

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H27NO.BrH

>  <Molecular Weight (nearest integer)>
354

$$$$
634396
  CML DOM 09261310252D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -13.7404   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
634396

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H15ClN2O2S

>  <Molecular Weight (nearest integer)>
347

>  <dtpname:Chemical Name>
2H-1,4-Benzothiazin-3(4H)-one, 2-[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]-

$$$$
678932
  CML DOM 09261310252D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -9.4683    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7765    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8949    1.1369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2765    2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0265    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5265    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2765    2.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5265    1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0265    1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8949    3.5640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -0.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -1.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1137   -3.2284    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
678932

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
124341-23-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H19N5O.ClH

>  <Molecular Weight (nearest integer)>
346

>  <dtpname:Chemical Name>
1H-Benzimidazole-4-carboxamide, N-[2-(dimethylamino)ethyl]-2-(4-pyridinyl)-, hydrochloride

$$$$
36437
  CML DOM 09261310252D

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 15 25  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <NSC>
36437

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
28028-68-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H32O5

>  <Molecular Weight (nearest integer)>
376

>  <dtpname:Chemical Name>
CRASSIN, ACETATE

>  <dtpname:9th C.I.>
14-Oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one, 2-(acetyloxy)-12-hydroxy-4,8,12-trimethyl-16-methylene-, [1S(1R*,2R*,4Z,8Z,12S*,13R*)]-

$$$$
335142
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.9415    6.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9415    5.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
335142

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
85619-28-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15N3O.ClH

>  <Molecular Weight (nearest integer)>
326

>  <dtpname:Chemical Name>
6H-Pyrido[4,3-b]carbazole-1-carboxamide, 5,11-dimethyl-, monohydrochloride

$$$$
622608
  CML DOM 09261310252D

 16 16  0  0  0  0  0  0  0  0999 V2000
  -10.3300   -4.8942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7004   -4.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1733   -6.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1165   -4.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6899   -4.4761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.6899   -2.0490    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3083   -3.2626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0583   -1.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1766   -3.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
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  9 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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M  END
>  <NSC>
622608

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11N3OS2.BrH

>  <Molecular Weight (nearest integer)>
322

>  <dtpname:Chemical Name>
1,2,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]- N,N-dimethyl-, monohydrobromide

$$$$
632841
  CML DOM 09261310252D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -6.0000   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  2  0  0  0  0
M  END
>  <NSC>
632841

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H19NO2

>  <Molecular Weight (nearest integer)>
329

>  <dtpname:Chemical Name>
4-Piperidinone, 1-(1-oxo-2-propenyl)-3,5-bis(phenyl- methylene)-

$$$$
648422
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
  -11.1580    5.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5846    5.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
648422

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H20O5

>  <Molecular Weight (nearest integer)>
328

$$$$
53908
  CML DOM 09261310252D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  -10.1178    1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7159    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.7159    6.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0149    4.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0149    5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0149    1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3139    1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 17  1  0  0  0  0
 13 15  2  0  0  0  0
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 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
53908

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1168-42-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H18O6

>  <Molecular Weight (nearest integer)>
342

>  <dtpname:Chemical Name>
Tetramethyl-O-scutellarin

>  <dtpname:Chemical Name>
Tetra-O-methylscutellarein

>  <dtpname:Chemical Name>
4',5,6,7-Tetramethoxyflavone

>  <dtpname:Chemical Name>
Scutellarein tetramethyl ether

>  <dtpname:9th C.I.>
4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-2-(4-methoxyphenyl)-

>  <dtpname:8th C.I.>
Flavone, 4',5,6,7-tetramethoxy-

$$$$
241509
  CML DOM 09261310252D

 28 28  0  0  0  0  0  0  0  0999 V2000
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    5.9461    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
241509

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H23N3O5S

>  <Molecular Weight (nearest integer)>
357

>  <dtpname:Chemical Name>
2-Propenamide, N-[2-(butylsulfinyl)-1-(hydroxymethyl)ethyl]-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (E)-(.+-.)-

$$$$
383468
  CML DOM 09261310252D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.4448   -8.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7439   -8.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1458   -8.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1458   -6.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4448   -5.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8467   -5.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
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  9 24  2  0  0  0  0
 11 13  2  0  0  0  0
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 12 23  2  0  0  0  0
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 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
383468

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H30O5

>  <Molecular Weight (nearest integer)>
350

$$$$
637680
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6740    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9241    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5221   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
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  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  2  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
637680

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H18N2O3S

>  <Molecular Weight (nearest integer)>
342

$$$$
684845
  CML DOM 09261310252D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -6.7935   -7.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5435   -8.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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M  END
>  <NSC>
684845

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16F4N2O4

>  <Molecular Weight (nearest integer)>
352

>  <dtpname:Chemical Name>
Propanoic acid, 3,3,3-trifluoro- 2-[(4-fluorophenyl)amino]-2-[[(ethoxy)carbonyl]amino]-, ethyl ester

$$$$
83265
  CML DOM 09261310252D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.7010    6.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010    6.3481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510    7.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4510    7.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7009    7.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    8.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   10.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7009   10.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019   10.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019    8.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010    6.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5491    7.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0491    7.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7991    6.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010    4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7010    1.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2010    6.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2009    8.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7009    8.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4509   10.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <NSC>
83265

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2799-07-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H21NO2S

>  <Molecular Weight (nearest integer)>
363

>  <dtpname:Chemical Name>
NSC 83265

>  <dtpname:Chemical Name>
Tritylcysteine

>  <dtpname:Chemical Name>
Tritylthioalanine

>  <dtpname:Chemical Name>
S-Trityl-L-cysteine

>  <dtpname:Chemical Name>
3-Tritylthio-L-alanine

>  <dtpname:Chemical Name>
L-Alanine, 3-(tritylthio)-

>  <dtpname:Chemical Name>
S-Triphenylmethyl-L-cysteine

>  <dtpname:9th C.I.>
L-Cysteine, S-(triphenylmethyl)-

>  <dtpname:8th C.I.>
Alanine, 3-(tritylthio)-, L-

$$$$
338720
  CML DOM 09261310252D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.3236    2.5245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    1.0245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -1.2255    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    3.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207   -2.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.2255    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <NSC>
338720

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
108030-77-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H6Cl5NO2

>  <Molecular Weight (nearest integer)>
325

>  <dtpname:Chemical Name>
PENCLOMEDINE

>  <dtpname:Chemical Name>
Penclomedine

>  <dtpname:Chemical Name>
Pyridine, 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)-

$$$$
622690
  CML DOM 09261310252D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.2332    4.6235    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6598    5.0870    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5414    3.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6598    2.6599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2332    3.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197    2.2418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    2.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1764    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0414    3.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9231    5.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3497    4.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3497    3.1235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9231    2.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4596    1.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5632    5.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6063    8.2187    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8198    9.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7246    9.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3928    7.3370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    7.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <NSC>
622690

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N3S2.ClHO4

>  <Molecular Weight (nearest integer)>
340

$$$$
634658
  CML DOM 09261310252D

 24 25  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -13.7404   -3.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  CHG  2   7  -1   8   1
M  END
>  <NSC>
634658

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16N2O4

>  <Molecular Weight (nearest integer)>
324

$$$$
651080
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.8481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    6.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5737    2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    1.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8820    1.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8820    3.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4554    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5737    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0955    4.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4658    3.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6226    2.0663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6793    4.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0497    3.8296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
651080

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14ClN3O4

>  <Molecular Weight (nearest integer)>
336

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-651080

>  <dtpname:Chemical Name>
6-N-aziridinyl-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione 3-chloroacetate

$$$$
61811
  CML DOM 09261310252D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.4635    5.1415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333    4.1132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1891    6.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1891    9.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4881   10.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7872    9.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7872    7.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4881    7.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1891    7.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901    7.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4881    5.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901    5.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4635    7.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8534    8.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3616    9.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5818    6.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5201    7.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1891    4.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900    6.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5794    9.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8294    8.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917    5.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2835    5.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5327    3.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    2.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7872    6.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0862    7.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  1 24  1  0  0  0  0
 12  2  1  6  0  0  0
  9  3  1  1  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  1  0  0  0
  9 10  1  0  0  0  0
 10 21  1  6  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
61811

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
466-49-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H30N2O2

>  <Molecular Weight (nearest integer)>
354

>  <dtpname:Chemical Name>
Aspidospermin

>  <dtpname:Chemical Name>
ASPIDOSPERMINE

>  <dtpname:Chemical Name>
Aspidospermine

>  <dtpname:Chemical Name>
WLN: T C6 B5665 2AB S BX IN QN JH&&TTTJ GO1 IV1 M2

>  <dtpname:9th C.I.>
Aspidospermidine, 1-acetyl-17-methoxy-

>  <dtpname:8th C.I.>
Aspidospermidine, 1-acetyl-17-methoxy-

$$$$
257473
  CML DOM 09261310252D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.1108   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6358   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8609   -3.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8608   -5.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8858   -3.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8858   -5.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3118   -9.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6108  -10.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3608   -3.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3608   -5.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3858   -3.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3858   -5.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3118   -8.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9099   -9.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3609   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8244   -1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3973   -1.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1108   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6358   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6108   -7.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9099   -8.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6108   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8609   -0.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6109   -2.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2089   -7.2920    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 18  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 23  2  0  0  0  0
 17 24  1  0  0  0  0
 18 22  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
257473

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23593-75-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H17ClN2

>  <Molecular Weight (nearest integer)>
345

>  <dtpname:USAN>
Clotrimazole

>  <dtpname:Chemical Name>
Empecid

>  <dtpname:Chemical Name>
Mycelex

>  <dtpname:Chemical Name>
BAY 5097

>  <dtpname:Chemical Name>
Lotrimin

>  <dtpname:Chemical Name>
Canesten

>  <dtpname:Chemical Name>
BAYb 5097

>  <dtpname:Chemical Name>
BAY b5097

>  <dtpname:Chemical Name>
Mykosporin

>  <dtpname:Chemical Name>
BAY b 5097

>  <dtpname:Chemical Name>
Bay B 5097

>  <dtpname:Chemical Name>
Bay b 9057

>  <dtpname:Chemical Name>
Bay-B 5097

>  <dtpname:Chemical Name>
Mycosporin

>  <dtpname:Chemical Name>
Gyne-lotrimin

>  <dtpname:Chemical Name>
Gyne-Lotrimin

>  <dtpname:Chemical Name>
Gyne lotrimin

>  <dtpname:Chemical Name>
(Chlorotrityl)imidazole

>  <dtpname:Chemical Name>
1-(o-Chlorotrityl)imidazole

>  <dtpname:Chemical Name>
1-(o-Chlorophenyldiphenylmethyl)imidazole

>  <dtpname:Chemical Name>
(2-Chlorophenyl)diphenyl-1-imidazolylmethane

>  <dtpname:Chemical Name>
Diphenyl-(2-chlorophenyl)-1-imidazolylmethane

>  <dtpname:Chemical Name>
Diphenyl(2-chlorophenyl)(1-imidazolyl)methane

>  <dtpname:Chemical Name>
Bis-phenyl-(2-chlorophenyl)-1-imidazoyl)methane

>  <dtpname:Chemical Name>
Methane, bis-phenyl-(2-chlorophenyl)-1-imidazolyl-

>  <dtpname:Chemical Name>
1-(o-Chloro-.alpha.,.alpha.-diphenylbenzyl)imidazole

>  <dtpname:9th C.I.>
1H-Imidazole, 1-[(2-chlorophenyl)diphenylmethyl]-

>  <dtpname:8th C.I.>
Imidazole, 1-(o-chloro-.alpha.,.alpha.-diphenylbenzyl)-

$$$$
600305
  CML DOM 09261310252D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8895    3.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2990    3.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5595    1.9740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4104    1.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9690    1.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
600305

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24N4O2

>  <Molecular Weight (nearest integer)>
352

$$$$
643162
  CML DOM 09261310252D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.2721    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    2.1495    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750    8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9730   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 22  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <NSC>
643162

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H18BrNO

>  <Molecular Weight (nearest integer)>
356

>  <dtpname:Chemical Name>
3-Bromo-4-dimethylamino benzylidene-1-tetralone

$$$$
689872
  CML DOM 09261310252D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2745    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3235    5.5245    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6669    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  CHG  2  15   1  16  -1
M  END
>  <NSC>
689872

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H16N4O3

>  <Molecular Weight (nearest integer)>
360

>  <dtpname:Chemical Name>
Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-

$$$$
97911
  CML DOM 09261310252D

 27 27  0  0  0  0  0  0  0  0999 V2000
  -11.5245   -0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -1.5736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5245    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7745    6.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -2.8726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -4.1716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -4.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -5.4707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1238   -3.1606    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -13.4228   -3.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1238   -1.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8248   -3.9106    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2 18  2  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  CHG  2  24   1  27  -1
M  END
>  <NSC>
97911

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H18N4O2.HNO3

>  <Molecular Weight (nearest integer)>
373

>  <dtpname:Chemical Name>
Guanidine, [[p-(p-acetylphenoxy)-.alpha.-methylbenzylidene]amino]-, nitrate

>  <dtpname:Chemical Name>
Hydrazinecarboximidamide, 2-[1-[4-(4-acetylphenoxy)phenyl]ethylidene]-, mononitrate

$$$$
115538
  CML DOM 09261310252D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -3.5221   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7182  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173  -12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7182  -13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192  -12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
115538

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5852-02-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H18O6

>  <Molecular Weight (nearest integer)>
366

$$$$
211500
  CML DOM 09261310252D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -5.9570    0.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2908    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1417    5.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0047   10.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1185    4.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4290    5.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0952    2.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7162    4.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6930    2.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0267    5.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0500    6.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1881    8.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7627    7.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4986    9.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1649    7.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2406    9.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9803    2.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4522    6.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7859    8.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3140    4.3873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5219   11.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847    2.2381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8360   10.6695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3825    2.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8776    8.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9704    7.9822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6245    5.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2346   11.9668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  7 22  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 19  1  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 19  1  0  0  0  0
 16 23  2  0  0  0  0
 16 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
M  END
>  <NSC>
211500

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24338-53-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H22O7

>  <Molecular Weight (nearest integer)>
362

>  <dtpname:Chemical Name>
Nagilactone C

>  <dtpname:Chemical Name>
NAGILACTONE C (RICE UNIVERSITY)

>  <dtpname:Chemical Name>
Podolactone B, 7,8-deepoxy-8,14-didehydro-15,16-dideoxy-7-hydroxy-, (7.beta.)-

$$$$
407806
  CML DOM 09261310252D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.2389    5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2389    4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379    3.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360    3.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7341    6.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7341    7.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4351    8.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360    7.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1607    5.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0424    7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1607    8.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6242    9.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0508   10.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0508   11.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6242   12.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7425   10.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    2.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360    4.8362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350    7.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2643   12.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909    9.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0601    3.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909    4.8445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 28  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  1  0  0  0
 10 14  1  0  0  0  0
 10 24  1  6  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  1  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 27  1  1  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
407806

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
143-62-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H34O4

>  <Molecular Weight (nearest integer)>
375

>  <dtpname:Chemical Name>
Echujetin

>  <dtpname:Chemical Name>
Evonogenin

>  <dtpname:Chemical Name>
Thevetigenin

>  <dtpname:Chemical Name>
Cerberigenin

>  <dtpname:Chemical Name>
Digitoxigenin

>  <dtpname:Chemical Name>
DIGITOXIGENIN

>  <dtpname:Chemical Name>
Digitoxigenine

>  <dtpname:Chemical Name>
3.beta.,14-Dihydroxy-5.beta.-card-20(22)-enolide

>  <dtpname:Chemical Name>
.delta.20:22-3,14,21-Trihydroxynorcholenic acid lactone

>  <dtpname:Chemical Name>
.delta.-sup(20:22)-3,14,21-Trihydroxynorcholenic acid lactone

>  <dtpname:Chemical Name>
WLN: L E5 B666TJ A1 E1 F- DT5OV CUTJ IQ OQ

>  <dtpname:9th C.I.>
Card-20(22)-enolide, 3,14-dihydroxy-, (3.beta.,5.beta.)-

>  <dtpname:8th C.I.>
5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-

$$$$
635437
  CML DOM 09261310252D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -8.6899   -7.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9889   -8.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9889   -9.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
635437

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H10Cl3NO3

>  <Molecular Weight (nearest integer)>
371

$$$$
377
  CML DOM 09261310252D

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M  END
>  <NSC>
377

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5394-71-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H20O4

>  <Molecular Weight (nearest integer)>
384

>  <dtpname:Chemical Name>
2-HYDROXY-3-[3-(P-PHENOXYPHENYL)PROPYL]-1,4-NAPHTHOQUINONE

$$$$
126727
  CML DOM 09261310252D

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M  END
>  <NSC>
126727

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H22O7

>  <Molecular Weight (nearest integer)>
398

>  <dtpname:Chemical Name>
DESMETHOXY-B-PELTATIN-A METHYL ETHER

>  <dtpname:Chemical Name>
.beta.-Peltatin, 3'-demethoxy-O-methyl-

$$$$
302358
  CML DOM 09261310252D

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M  CHG  1  15   1
M  END
>  <NSC>
302358

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
24372-73-4

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for H2O4S in C15H18NOS2.HO4S

>  <Molecular Formula in DIS>
C15H18NOS2.HO4S

>  <Molecular Weight (nearest integer)>
390

>  <dtpname:Chemical Name>
Piperidinium, 1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylidene]-, sulfate (1:1)

$$$$
635326
  CML DOM 09261310252D

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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  CHG  2  23   1  24  -1
M  END
>  <NSC>
635326

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H10Cl2N2O5

>  <Molecular Weight (nearest integer)>
381

>  <dtpname:Chemical Name>
5,7-dichloro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one

$$$$
634568
  CML DOM 09261310252D

 26 30  0  0  0  0  0  0  0  0999 V2000
  -10.3065    5.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6055    4.7038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6055    3.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3065    2.4538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0074    3.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0074    4.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3065    6.9538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9045    2.4538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9045    5.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3065    0.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5808    5.1673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6992    3.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5808    2.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2726    3.4902    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2726    1.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6992    1.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0110    0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4376   -0.4041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8963   -0.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4697   -0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1579    0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <NSC>
634568

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H10N4O4S

>  <Molecular Weight (nearest integer)>
366

>  <dtpname:Chemical Name>
Naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone, 1,3-dimethyl-

$$$$
5890
  CML DOM 09261310252D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.1218    1.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8474    5.4548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455    0.9548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8474    3.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1465    3.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5484    3.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1465    1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5484    1.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1218    3.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5117    5.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0199    5.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2401    2.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1382    3.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8474    0.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7483    2.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6465    4.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3934    6.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4768    0.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3916    4.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455    3.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7445    3.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455    5.4548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  4  2  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7 14  1  0  0  0  0
  8 14  2  0  0  0  0
  9 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
5890

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H16O7

>  <Molecular Weight (nearest integer)>
344

>  <dtpname:Chemical Name>
D-Usnic acid

>  <dtpname:Chemical Name>
USNIC ACID, (D)

>  <dtpname:Chemical Name>
Dibenzofuran-1,3(2H,9bH)-dione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-

$$$$
123115
  CML DOM 09261310252D

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.9462    4.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9708    2.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    4.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9708    5.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    1.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2791    2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2791    3.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5781    2.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8892    4.9906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8892    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4343    6.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.0838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    1.0838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2660    5.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9016    7.0358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3651    8.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3614    9.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471    5.5838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  1  0  0  0
  9 16  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 16 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
123115

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
16910-79-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H24N4O5

>  <Molecular Weight (nearest integer)>
376

>  <dtpname:Chemical Name>
T 73

>  <dtpname:Chemical Name>
MITOMYCIN DERIV T-73

>  <dtpname:Chemical Name>
Mitomycin derivative T 73

>  <dtpname:Chemical Name>
See replacing CAS registry number: 16910-79-5

>  <dtpname:Chemical Name>
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-(propylamino)-, carbamate (ester)

$$$$
241906
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.5130    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7735    3.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621    0.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1830    3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716    1.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3321    2.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    3.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    3.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4016   -0.7515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2207    3.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4168    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159    1.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 20  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <NSC>
241906

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58449-06-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H22O5

>  <Molecular Weight (nearest integer)>
378

>  <dtpname:Chemical Name>
UVARETIN

>  <dtpname:Chemical Name>
Uvaretin

>  <dtpname:9th C.I.>
1-Propanone, 1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenyl-

$$$$
604535
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -3.3113   -4.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9869   -4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5128   -7.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9509   -8.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545   -8.7021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4903   -9.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4903  -11.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1913   -9.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9413   -7.8021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5587  -10.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1078   -8.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068   -9.1011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068  -10.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1078  -11.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7058  -11.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7058  -12.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049  -13.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039  -12.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039  -11.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049  -10.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3928   -9.2202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6904  -10.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8395  -11.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2808  -10.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 25  8  1  6  0  0  0
  8 26  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 12  1  6  0  0  0
 12 14  1  6  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
604535

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H19NO4S

>  <Molecular Weight (nearest integer)>
369

$$$$
635448
  CML DOM 09261310252D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.2764    3.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1963    2.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6301    1.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1441    0.9857    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2242    2.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7904    3.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1869    1.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1391    0.1625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3015   -0.2553    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
    2.4279    2.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9817   -1.0784    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    1.0618   -2.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797   -3.7039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410   -4.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9362   -4.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7421   -0.6732    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   -0.3493   -1.7546    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  5   4   1   8   1   9   2  11  -1  16  -1
M  END
>  <NSC>
635448

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Cu(a9) connected atoms =[ N N Br S ]

>  <Molecular Formula in DIS>
C10H13BrCuN4S

>  <Molecular Weight (nearest integer)>
365

>  <dtpname:Chemical Name>
Copper, bromo[2-[1-(2-pyridinyl)ethylidene][N,N-dimethyl-hydrazinecarbothioamidato-N,N,S]-

>  <dtpname:Chemical Name>
Hydrazinecarbothioamide, 2-[1-(2-pyridinyl)ethylidene]-N,N-dimethyl-, copper bromide complex

$$$$
757
  CML DOM 09261310252D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -4.2428   -2.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -3.2113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669    3.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3684    2.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8032    2.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6063    1.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427    0.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506    0.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815    1.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7761    1.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8986   -1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598   -1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6091   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0657   -2.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7516   -2.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5710   -2.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1531   -1.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0944    0.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6559    1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983    2.9043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7620    1.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270   -3.8778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174   -4.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -4.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4734   -6.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    4.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3275    5.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5321    3.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9336    3.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
 17  2  1  1  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  6  2  0  0  0  0
  4 29  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 23  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
757

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
64-86-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H25NO6

>  <Molecular Weight (nearest integer)>
399

>  <dtpname:Chemical Name>
Colcin

>  <dtpname:Chemical Name>
NSC 757

>  <dtpname:Chemical Name>
Condylon

>  <dtpname:Chemical Name>
Colsaloid

>  <dtpname:Chemical Name>
Colchisol

>  <dtpname:Chemical Name>
COLCHICINE

>  <dtpname:Chemical Name>
Colchineos

>  <dtpname:Chemical Name>
COLCHICINE

>  <dtpname:Chemical Name>
7.alpha.H-Colchicine

>  <dtpname:Chemical Name>
component of ColBenemid

>  <dtpname:Chemical Name>
N-Acetyl trimethylcolchicinic acid methylether

>  <dtpname:Chemical Name>
Benzo[a]heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-

>  <dtpname:Chemical Name>
Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-

>  <dtpname:Chemical Name>
Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(.alpha.)heptalen-7-yl)-

>  <dtpname:Chemical Name>
WLN: L B677 MV&T&J CO1 DO1 EO1 JMV1 NO1

>  <dtpname:9th C.I.>
Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-

>  <dtpname:9th C.I.>
Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-

>  <dtpname:8th C.I.>
Colchicine

>  <dtpname:German Name>
Colchicin

>  <dtpname:Italian Name>
Colchicina

$$$$
166381
  CML DOM 09261310252D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.6471    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.9219    8.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1028    7.7989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7728    9.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3633    9.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6614    7.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2519    6.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6933    7.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3314    9.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
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  3  5  1  0  0  0  0
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  3 25  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 20 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
166381

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H25N3O2S

>  <Molecular Weight (nearest integer)>
384

>  <dtpname:Chemical Name>
9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-1-piperazinyl)ethyl]amino]-

$$$$
305884
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.9914  -12.7595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9262   -7.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874   -6.9032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344   -8.5349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2068   -6.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0920   -5.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8949   -8.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4683   -8.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655   -6.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3536   -7.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527   -7.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3527   -9.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6151   -9.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 10 28  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 18  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
305884

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
55435-65-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H19N5O.ClH

>  <Molecular Weight (nearest integer)>
382

>  <dtpname:USAN>
Acodazole HCl

>  <dtpname:Chemical Name>
Acodazole

>  <dtpname:Chemical Name>
ACODAZOLE HCL

>  <dtpname:9th C.I.>
1H-Imidazo[4,5-f]quinoline, acetamide deriv.

>  <dtpname:9th C.I.>
Acetamide, N-methyl-N-[4-[(7-methyl-1H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]-, monohydrochloride

$$$$
337612
  CML DOM 09261310252D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.3849    1.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281    2.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9687    1.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4416    3.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8119    3.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984    5.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837    6.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0656    5.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8156    4.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8156    6.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3156    4.2382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0656    8.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3156    6.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    5.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8156    9.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5656    5.5372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3156    9.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    8.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    2.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5656    2.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3156    4.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8156    4.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5656    2.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8156    1.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3156    1.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <NSC>
337612

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
81721-80-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H15NO2

>  <Molecular Weight (nearest integer)>
337

$$$$
293927
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4020    5.2418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155    3.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8692    5.5537    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6192    4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1110    4.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9927    5.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4845    5.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0946    3.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2129    2.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7211    2.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <NSC>
293927

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63520-86-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H10O3S2

>  <Molecular Weight (nearest integer)>
338

$$$$
284751
  CML DOM 09261310252D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.1488   -2.3205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7227   -3.7587    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2966   -5.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4780    4.6344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617    3.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5459    2.0372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6902   -2.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0215    4.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8080   -1.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7373    3.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0464    1.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7683   -3.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641   -4.1088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9279    0.8575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5778   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1959    2.9269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3137    1.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5927    0.6479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1609   -4.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1163   -1.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8052    5.8742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474   -1.6239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  4  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 18  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
284751

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41941-56-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H11ClN5O6P

>  <Molecular Weight (nearest integer)>
364

>  <dtpname:Chemical Name>
Adenosine, 8-chloro-, cyclic 3',5'-(hydrogen phosphate)

$$$$
140377
  CML DOM 09261310252D

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.6746    1.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4689    4.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5718    3.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8708    4.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8708    6.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5718    6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2727    6.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9737    6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5718    8.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2727    9.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9737    8.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6746    9.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2727   10.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3756    8.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5718   11.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6746   10.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9737   11.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747    0.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7679    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3756    2.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9737    2.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4689    6.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9737    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1698    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2727    4.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747    6.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8708    9.2445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  2  0  0  0  0
  2 19  1  0  0  0  0
  2 22  1  0  0  0  0
  2 24  2  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  2  0  0  0  0
 21 23  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
140377

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23444-70-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22O6

>  <Molecular Weight (nearest integer)>
370

>  <dtpname:Chemical Name>
Arnebin

>  <dtpname:Chemical Name>
Arnebin 1

>  <dtpname:Chemical Name>
Alkanin b,b-dimethylacrylate

>  <dtpname:Chemical Name>
Alkanin, .beta.,.beta.-dimethylacrylate

>  <dtpname:Chemical Name>
2-Butenoic acid, 3-methyl-, 1-(5,8-dihydro- 1,4-dihydroxy-5,8-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester

$$$$
265459
  CML DOM 09261310252D

 13 14  0  0  0  0  0  0  0  0999 V2000
    7.4491    4.3938    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3344    3.3901    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    7.4491    2.3864    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4527    2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4527    4.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0261    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0261    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4281    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4281    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9163    6.0302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9163    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
  7  6  1  0  0  0  0
 11 10  1  0  0  0  0
  5 12  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <NSC>
265459

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61848-62-2

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for C6H12Cl2N2Pt in C6H14Cl2N2Pt

>  <Molecular Formula in DIS>
C6H14Cl2N2Pt

>  <Molecular Weight (nearest integer)>
380

>  <dtpname:Chemical Name>
NSC 265459

>  <dtpname:Chemical Name>
Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, [SP-4-2-(1S-trans)]-

>  <dtpname:9th C.I.>
1,2-Cyclohexanediamine, platinum complex, (1S-trans)-

>  <dtpname:9th C.I.>
Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-2-(1S-trans))-

$$$$
614826
  CML DOM 09261310252D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   -7.5000    9.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500    8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2500    8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   11.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   12.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   12.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   11.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    9.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    9.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   13.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   15.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   15.0394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   16.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <NSC>
614826

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H19NO4

>  <Molecular Weight (nearest integer)>
361

>  <dtpname:Chemical Name>
Bisacodyl, active ingredient of Viraplex

>  <dtpname:Chemical Name>
Phenol, 4,4'-(2-pyridinylmethylene)bis-, diacetate (ester)

$$$$
635542
  CML DOM 09261310252D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6471    6.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 12  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  3  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  CHG  4   7   1   8  -1  11   1  12  -1
M  END
>  <NSC>
635542

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14N6O5

>  <Molecular Weight (nearest integer)>
370

$$$$
14974
  CML DOM 09261310252D

 28 32  0  0  0  0  0  0  0  0999 V2000
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    8.5442    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7963    4.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1423    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <NSC>
14974

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1448-22-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H28O8

>  <Molecular Weight (nearest integer)>
396

>  <dtpname:Chemical Name>
GLAUCARUBOL

>  <dtpname:Chemical Name>
Glaucarubol

$$$$
169600
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9240  -10.3995    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
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  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
169600

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H23BrO4

>  <Molecular Weight (nearest integer)>
395

>  <dtpname:Chemical Name>
1-Phenanthrenecarboxylic acid, 10-bromo-1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-9-oxo-, methyl ester

$$$$
322069
  CML DOM 09261310252D

 26 26  0  0  0  0  0  0  0  0999 V2000
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   -3.5853   -1.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882    0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
322069

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H29NO2.BrH

>  <Molecular Weight (nearest integer)>
396

$$$$
642649
  CML DOM 09261310252D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.7500    6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0486    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  2  0  0  0  0
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 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
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 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
642649

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H11ClN2O5

>  <Molecular Weight (nearest integer)>
359

$$$$
69852
  CML DOM 09261310252D

 15 13  0  0  0  0  0  0  0  0999 V2000
   -1.3995   -0.9240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6495    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8995    1.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6495    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1495    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3995    1.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1495    2.9731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6495    2.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6495    5.5711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0245   -0.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
69852

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
306-67-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H26N4.4ClH

>  <Molecular Weight (nearest integer)>
348

>  <dtpname:Chemical Name>
Spermine hydrochloride

>  <dtpname:Chemical Name>
Spermine tetrahydrochloride

>  <dtpname:Chemical Name>
SPERMINE, TETRAHYDROCHLORIDE

>  <dtpname:Chemical Name>
N,N'-Bis(3-aminopropyl)-1,4-butanediamine tetrahydrochloride

>  <dtpname:Chemical Name>
1,4-Butanediamino, N,N'-bis(3-aminopropyl), tetrahydrochloride

>  <dtpname:9th C.I.>
1,4-Butanediamine, N,N'-bis(3-aminopropyl)-, tetrahydrochloride

>  <dtpname:8th C.I.>
1,4-Butanediamine, N,N'-bis(3-aminopropyl)-, tetrahydrochloride

$$$$
329277
  CML DOM 09261310252D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.6270    3.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999    1.7195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7838    5.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2567    3.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0431    4.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    6.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1999    5.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1432    7.9582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7558   10.4716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  2 23  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
329277

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H13Cl2N3O3

>  <Molecular Weight (nearest integer)>
378

$$$$
157389
  CML DOM 09261310252D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.7745   11.4168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745    8.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0245   10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7745   11.4168    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755   10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    8.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5245   12.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245   12.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245   10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245   10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    3.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    2.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    3.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7255    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9755    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7255    8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    7.5197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
157389

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
56401-88-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H30ClN3

>  <Molecular Weight (nearest integer)>
372

>  <dtpname:Chemical Name>
Pyridine, 2-(p-chlorostyryl)-4-[[4-(diethylamino)-1-methylbutyl]amino]-, (E)-

$$$$
302979
  CML DOM 09261310252D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -4.6094   -1.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0854    0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2400   -0.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0251   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011    0.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6557   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145   -2.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0730    0.5804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9035   -1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 12  1  0  0  0  0
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 17 27  2  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
302979

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73211-11-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H30O5

>  <Molecular Weight (nearest integer)>
374

>  <dtpname:Chemical Name>
Shikoccin

>  <dtpname:Chemical Name>
Isodon Shikokianus compound A

>  <dtpname:Chemical Name>
ISODON SHIKOKIANUS, COMPOUND A

$$$$
617540
  CML DOM 09261310252D

 28 28  0  0  0  0  0  0  0  0999 V2000
   -8.0687  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678  -10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7697  -10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.6668  -10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9659  -10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
617540

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H40O2

>  <Molecular Weight (nearest integer)>
361

$$$$
640580
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.7165    3.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7834    3.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4551    2.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550    2.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936    0.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1935    0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9321   -0.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1707   -1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4779    4.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8799    6.1572    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9710    4.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9649    3.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2958    6.3896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034    7.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4948    9.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 17 24  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
640580

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H12Cl2N2OS

>  <Molecular Weight (nearest integer)>
375

$$$$
24817
  CML DOM 09261310252D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -8.0159   10.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5893   12.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5002    9.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1356    5.8909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9674    4.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2159   11.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6058    9.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0773    7.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5893   10.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 13  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 20  1  6  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
24817

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
568-53-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H20O8

>  <Molecular Weight (nearest integer)>
400

>  <dtpname:Chemical Name>
NCI-1074

>  <dtpname:Chemical Name>
PELTATIN A

>  <dtpname:Chemical Name>
PELTATIN A

>  <dtpname:Chemical Name>
.alpha.-Peltatin

>  <dtpname:Chemical Name>
Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-, .gamma.-lactone

>  <dtpname:9th C.I.>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-

>  <dtpname:9th C.I.>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-

>  <dtpname:8th C.I.>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-

>  <dtpname:8th C.I.>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-

$$$$
172946
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -3.9141   -3.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6755    3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6116    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232    3.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5070    1.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9954    0.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4431    0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2142    0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3482    1.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0387   -0.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
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  6  7  2  0  0  0  0
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  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
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 12 15  1  0  0  0  0
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 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  6  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <NSC>
172946

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7336-33-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H23NO6

>  <Molecular Weight (nearest integer)>
385

>  <dtpname:Chemical Name>
3-DESMETHYLCOLCHICINE

>  <dtpname:Chemical Name>
COLCHICINE,3-DESMETHYL

>  <dtpname:9th C.I.>
Acetamide, N-(5,6,7,9-tetrahydro-3-hydroxy-1,2,10-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-

>  <dtpname:8th C.I.>
Colchicine, O(3)-demethyl-

$$$$
403148
  CML DOM 09261310252D

 31 35  0  0  0  0  0  0  0  0999 V2000
   -4.8107    0.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8171    3.3908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9597    4.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715   -0.0466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1171    2.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059   -0.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2322    3.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068    2.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5058    3.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912    2.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0923    3.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3893    2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8108    1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7873    1.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3853    1.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5137    0.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2386    0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0843    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6956    2.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5177   -0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7793   -1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8227   -3.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7754   -3.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257   -3.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0724   -3.8155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3734   -3.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5296   -5.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7674   -6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1237   -3.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4208   -3.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  8  3  1  6  0  0  0
 13  4  1  1  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  6  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 23 25  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
403148

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
19186-35-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H22O7

>  <Molecular Weight (nearest integer)>
398

>  <dtpname:Chemical Name>
Anthricin

>  <dtpname:Chemical Name>
SILICICOLIN

>  <dtpname:Chemical Name>
Silicicolin

>  <dtpname:Chemical Name>
(-)-Anthricin

>  <dtpname:Chemical Name>
Deoxypodophyllotoxin

>  <dtpname:Chemical Name>
Desoxypodophyllotoxin

>  <dtpname:Chemical Name>
4-Deoxypodophyllotoxin

>  <dtpname:Chemical Name>
(-)-Deoxypodophyllotoxin

>  <dtpname:Chemical Name>
(-)-Desoxypodophyllotoxin

>  <dtpname:9th C.I.>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-,(5R,5aR,8aR)-

>  <dtpname:8th C.I.>
Podophyllotoxin, deoxy-

>  <dtpname:7th C.I.>
Podophyllotoxin, deoxy-

>  <dtpname:6th C.I.>
Podophyllotoxin, deoxy-

$$$$
182986
  CML DOM 09261310252D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.2500   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4462   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4462   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -3.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9462   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -8.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481   -9.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4462   -9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1471  -11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4462  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4462  -13.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  2  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
182986

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57998-68-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H20N4O6

>  <Molecular Weight (nearest integer)>
364

>  <dtpname:Chemical Name>
AZQ

>  <dtpname:Chemical Name>
DIAZIQUONE

>  <dtpname:Chemical Name>
Diaziquone

>  <dtpname:Chemical Name>
NSC 182986

>  <dtpname:Chemical Name>
1,4-Cyclohexadiene-1,4-dicarbamic acid, 2,5-bis(1-aziridinyl)-3,6-dioxo-, diethyl ester

>  <dtpname:9th C.I.>
Carbamic acid, [2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, diethyl ester

$$$$
99016
  CML DOM 09261310252D

 28 33  0  0  0  0  0  0  0  0999 V2000
   -5.5424   -0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5424   -1.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9024    0.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -0.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -1.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924    1.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924    0.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924   -0.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924   -1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7624   -2.8912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7624   -3.4733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624   -1.3112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3174    1.3187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8474    2.9087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975    0.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8474    3.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975   -1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975   -0.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975    1.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775    1.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775    0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0174    2.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5474    0.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5474    1.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0174   -0.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9024   -2.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2324    0.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624   -0.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2 26  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6 14  1  0  0  0  0
  6 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 11  1  0  0  0  0
 12 17  1  0  0  0  0
 12 28  1  0  0  0  0
 13 19  1  0  0  0  0
 13 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <NSC>
99016

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
595-05-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H26N4

>  <Molecular Weight (nearest integer)>
346

>  <dtpname:Chemical Name>
CALYCANTHINE

>  <dtpname:Chemical Name>
5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-

>  <dtpname:Chemical Name>
5,10b:11,4b-Bis(iminoethano)dibenzo[c,h][2,6]naphthyridine, 5,6,11,12-tetrahydro-13,18-dimethyl-, [4bS-(4b.alpha.,5.alpha.,10b.alpha.,11.alpha.)]-

>  <dtpname:9th C.I.>
Calycanthine

>  <dtpname:8th C.I.>
Calycanthine

$$$$
146397
  CML DOM 09261310252D

 27 30  0  0  0  0  0  0  0  0999 V2000
  -13.8679   -5.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7498   -7.5000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  -13.8679   -3.2865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7496   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  3 16  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  2  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  2   2  -1   4   1
M  END
>  <NSC>
146397

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13063-04-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H18NO4.Cl

>  <Molecular Weight (nearest integer)>
384

>  <dtpname:Chemical Name>
WLN: T G6 D6 C665 EK SO UO THJ E1 IO1 JO1 &G

>  <dtpname:9th C.I.>
[1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-, chloride

>  <dtpname:8th C.I.>
Nitidine, chloride

$$$$
163088
  CML DOM 09261310252D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.8258   10.2296    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.4707    5.5245    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3806   11.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4825   10.2782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8724   11.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5736    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
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 19 23  1  0  0  0  0
 22 25  1  0  0  0  0
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 25 26  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <NSC>
163088

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
633-65-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H18NO4.Cl

>  <Molecular Weight (nearest integer)>
372

>  <dtpname:Chemical Name>
Berberine chloride

>  <dtpname:9th C.I.>
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, chloride

>  <dtpname:8th C.I.>
Berbinium, 7,8,13,13a-tetradehydro-9.10-dimethoxy-2,3-(methylene dioxy)-, chloride

$$$$
314622
  CML DOM 09261310252D

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 15 16  1  0  0  0  0
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 23 24  1  0  0  0  0
M  END
>  <NSC>
314622

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66358-49-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H15NO6

>  <Molecular Weight (nearest integer)>
365

>  <dtpname:Chemical Name>
5H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12-dione, 2,3-dimethoxy-6-methyl-

$$$$
620279
  CML DOM 09261310252D

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 24 25  2  0  0  0  0
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 27 28  1  0  0  0  0
M  END
>  <NSC>
620279

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H22N4O2

>  <Molecular Weight (nearest integer)>
374

$$$$
645033
  CML DOM 09261310252D

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M  END
>  <NSC>
645033

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H15Cl2N5

>  <Molecular Weight (nearest integer)>
372

>  <dtpname:Chemical Name>
Pyrimidine, 2-[1,5-bis(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]- 1,4,5,6-tetrahydro-

$$$$
62791
  CML DOM 09261310252D

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  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <NSC>
62791

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H44O

>  <Molecular Weight (nearest integer)>
397

>  <dtpname:Chemical Name>
ERGOSTEROL

>  <dtpname:Chemical Name>
Ergosterol

$$$$
249992
  CML DOM 09261310252D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6045    3.1397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8331    9.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5726    7.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6840   10.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1631    7.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2745    9.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0140    8.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045    6.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054    5.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0064    6.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2927    5.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    5.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2025    6.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5016    5.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2927    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5016    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0064    3.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2025    3.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2426    9.6918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6045    7.6397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031   11.1690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0259   11.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9803   10.9085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1254   10.5941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3859   12.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7636   12.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  1 17  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 28  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
249992

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51264-14-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H19N3O3S

>  <Molecular Weight (nearest integer)>
393

>  <dtpname:Chemical Name>
M-AMSA

>  <dtpname:Chemical Name>
M-AMSA

>  <dtpname:Chemical Name>
m-AMSA

>  <dtpname:Chemical Name>
Amsine

>  <dtpname:Chemical Name>
Amsidine

>  <dtpname:Chemical Name>
Amsacrine

>  <dtpname:Chemical Name>
4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide

>  <dtpname:Chemical Name>
WLN: T C666 BNJ IMR BO1 DMSW1

>  <dtpname:9th C.I.>
Methanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyphenyl]-

$$$$
603577
  CML DOM 09261310252D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.1109    0.9518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8672    0.1132    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7057   -1.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2094   -1.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0286    1.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4677    1.2526    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.2870   -1.3392    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.1255   -0.0955    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    1.9641    1.1483    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.3693   -0.9340    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.3106    2.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8158    1.9104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756   -2.7947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6574   -1.9490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  CHG  5   6   1   7   1   8   2   9  -1  10  -1
M  END
>  <NSC>
603577

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Cl(a9) connected atoms =[ Pt ]

>  <Molecular Formula in DIS>
C4H14Cl2N2PtSi

>  <Molecular Weight (nearest integer)>
384

>  <dtpname:Chemical Name>
Platinum, dichloro[dimethylsilylenebis(methanamine)]-, (SP-4-2)

$$$$
601101
  CML DOM 09261310252D

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.8623    3.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3951    4.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3914    2.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8549    1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3221    1.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3258    2.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6961    1.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    0.2131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0721   -0.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5933    2.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5933    3.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8923    4.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1913    3.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1913    2.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8923    1.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8923    0.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3019   -0.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5623   -1.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4133   -2.7495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0037   -2.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7432   -0.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6737   -4.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5247   -5.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9477    6.7301    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9952    2.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2942    1.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9952    3.9549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2942    0.2049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
601101

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H24N2O2.ClH

>  <Molecular Weight (nearest integer)>
373

$$$$
668270
  CML DOM 09261310252D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.9402   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3422   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3422  -11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6412  -12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9402  -11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9569   -9.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559  -11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9569  -12.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550  -12.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9569   -7.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2559   -5.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7641   -5.4568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1540   -4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1119   -1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3132   -3.7746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7312   -5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <NSC>
668270

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H16O5

>  <Molecular Weight (nearest integer)>
348

>  <dtpname:Chemical Name>
2H-1-Benzopyran-2-one, 4-[(tetrahydro-4-methylene- 5-oxo-2-phenyl-2-furanyl)methoxy]-

$$$$
163443
  CML DOM 09261310252D

 30 34  0  0  0  0  0  0  0  0999 V2000
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   -3.2340   -3.7178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0045    1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
M  END
>  <NSC>
163443

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H22N2O2

>  <Molecular Weight (nearest integer)>
394

$$$$
174163
  CML DOM 09261310252D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
174163

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
39966-41-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H7ClHg

>  <Molecular Weight (nearest integer)>
363

>  <dtpname:Chemical Name>
Mercury, chloro-2-naphthalenyl-

$$$$
327697
  CML DOM 09261310252D

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M  END
>  <NSC>
327697

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14Cl2N4O

>  <Molecular Weight (nearest integer)>
361

$$$$
626734
  CML DOM 09261310252D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
626734

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H24N2O4

>  <Molecular Weight (nearest integer)>
368

>  <dtpname:Chemical Name>
4-Piperidinone, 2,6-bis(4-methoxyphenyl)-3,5-dimethyl- 1-nitroso-

$$$$
647363
  CML DOM 09261310252D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
647363

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H20O7

>  <Molecular Weight (nearest integer)>
372

$$$$
77021
  CML DOM 09261310252D

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 28 29  1  0  0  0  0
M  END
>  <NSC>
77021

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
806-29-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H26F2O5

>  <Molecular Weight (nearest integer)>
396

>  <dtpname:Chemical Name>
6.alpha.,9-Difluoroprednisolone

>  <dtpname:Chemical Name>
6.alpha.,9.alpha.-Difluoroprednisolone

>  <dtpname:Chemical Name>
Pregna-1,4-diene-3,20-dione, 6.alpha.,9-difluoro-11.beta.,17,21-trihydroxy-

>  <dtpname:Chemical Name>
Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,17,21-trihydroxy-, (6.alpha.,11.beta.)-

$$$$
262665
  CML DOM 09261310252D

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M  END
>  <NSC>
262665

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
32884-24-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H19NO4

>  <Molecular Weight (nearest integer)>
385

$$$$
624169
  CML DOM 09261310252D

 19 18  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  7  8  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
624169

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H20N2S4.2ClH

>  <Molecular Weight (nearest integer)>
393

$$$$
136037
  CML DOM 09261310252D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.3224    0.0782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  1  0  0  0  0
  7  9  1  0  0  0  0
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 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
136037

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16O5.C7H9N

>  <Molecular Weight (nearest integer)>
383

>  <dtpname:Chemical Name>
AT 116, benzylamine salt

>  <dtpname:Chemical Name>
Antibiotic AT 116 benzylamine salt

$$$$
672904
  CML DOM 09261310252D

 22 20  0  0  0  0  0  0  0  0999 V2000
   18.7500    2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   18.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
>  <NSC>
672904

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H41ClN.Cl

>  <Molecular Weight (nearest integer)>
354

>  <dtpname:Chemical Name>
Hexadecanaminium, N-(chloromethyl)-N,N-dimethyl-, chloride

$$$$
371846
  CML DOM 09261310252D

 32 37  0  0  0  0  0  0  0  0999 V2000
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    8.6563   15.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4427   16.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 29  1  0  0  0  0
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  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
 23 24  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
371846

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H22N4O2

>  <Molecular Weight (nearest integer)>
398

$$$$
671424
  CML DOM 09261310252D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2452    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0490    2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  CHG  2  25   1  26  -1
M  END
>  <NSC>
671424

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H14N4O3

>  <Molecular Weight (nearest integer)>
358

$$$$
343513
  CML DOM 09261310252D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.9755    4.9216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    4.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2745    6.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0245    7.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245   10.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7745    8.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7745    3.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2745   11.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0245   12.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
343513

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
38077-12-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H25F2NO2

>  <Molecular Weight (nearest integer)>
373

>  <dtpname:Chemical Name>
Dihydrolenperone

>  <dtpname:Chemical Name>
Dihydro-lenperone

>  <dtpname:Chemical Name>
1-Butanone, 1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]-

$$$$
629713
  CML DOM 09261310252D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.0490    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9462    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6471    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
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 23 24  2  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <NSC>
629713

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H14N2O2

>  <Molecular Weight (nearest integer)>
362

$$$$
681730
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  3  0  0  0  0
 25 26  3  0  0  0  0
M  END
>  <NSC>
681730

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H22N4

>  <Molecular Weight (nearest integer)>
366

>  <dtpname:Chemical Name>
2,2'-(1,3-phenylenebis(methylene))bis(azanediyl)bis(2-phenylacetonitrile)

$$$$
98542
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   -5.4583   -8.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7573   -9.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0564   -8.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3554   -9.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7573  -10.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3554  -10.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4583  -11.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1592  -10.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0563  -11.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6544   -8.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9535   -9.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6544  -11.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9535  -10.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411   -7.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6015   -9.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4583   -6.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1799   -4.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3289   -5.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9373   -3.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6769   -2.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3469   -4.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 24  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
98542

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
38714-92-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H23NO5

>  <Molecular Weight (nearest integer)>
381

>  <dtpname:Chemical Name>
PSEUDOCORALYNE

>  <dtpname:Chemical Name>
Pseudocoralyne

>  <dtpname:Chemical Name>
Acetopapaverine

>  <dtpname:Chemical Name>
Acetophenone, 2'-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4',5'-dimethoxy-

$$$$
268986
  CML DOM 09261310252D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -5.1454   10.6850    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    0.7245    7.3523    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6920   11.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6016   11.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5907    9.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073    9.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8843    8.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1888    9.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4823    8.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137    8.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4715    7.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8735    7.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1671    6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5691    6.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5582    5.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8518    4.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7462    4.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410    2.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7570    2.8524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366    2.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7651    6.5554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0289    6.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3225    7.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2900   11.8710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  2  0  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 25  1  0  0  0  0
  6 11  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <NSC>
268986

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1239-45-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H20N3.Br

>  <Molecular Weight (nearest integer)>
394

>  <dtpname:Chemical Name>
Dromilac

>  <dtpname:Chemical Name>
Homidium bromide

>  <dtpname:Chemical Name>
Ethydium bromide

>  <dtpname:Chemical Name>
Ethidium bromide

>  <dtpname:Chemical Name>
2,7-Diamino-9-phenylphenanthridine ethobromide

>  <dtpname:Chemical Name>
3,8-Diamino-5-ethyl-6-phenylphenanthridinium bromide

>  <dtpname:Chemical Name>
2,7-Diamino-9-phenyl-10-ethylphenanthridinium bromide

>  <dtpname:Chemical Name>
2,7-Diamino-10-ethyl-9-phenylphenanthridinium bromide

>  <dtpname:Chemical Name>
WLN: T B666 HKJ EJ H2 IR& LZ &E &9/26

>  <dtpname:9th C.I.>
Phenanthridinium, 3,8-diamino-5-ethyl-6-phenyl-, bromide

>  <dtpname:8th C.I.>
Phenanthridinium, 3,8-diamino-5-ethyl-6-phenyl-, bromide

$$$$
634473
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -6.8702    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702    3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1692   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5712    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8702   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721   -2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -0.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0663   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0663   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4683    3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7673    0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0663    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3654    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6644    1.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6644    3.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9635    3.8504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2625    3.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3654    3.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0664    3.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
634473

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H19NO6

>  <Molecular Weight (nearest integer)>
381

$$$$
621486
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
  -13.7404   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -6.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -9.8433   -7.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -9.8433   -1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -7.2452   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  CHG  6   7   1   8  -1  11   1  12  -1  26   1  27  -1
M  END
>  <NSC>
621486

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H17N3O5

>  <Molecular Weight (nearest integer)>
379

>  <dtpname:Chemical Name>
2-Propen-1-one, 1-(1,4-dioxo-2,6,7-trimethylquinoxalin- 3-yl)-3-(2-nitrophenyl)-

>  <dtpname:Chemical Name>
Quinoxaline, 3-[3-(2-nitrophenyl)-1-oxo-2-propen-1-yl]-2,6,7-trimethyl-, 1,4-dioxide

$$$$
26040
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
  -15.7500   -4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.0490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2500   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7500   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2500   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5000   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0000   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7500   -4.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2500   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2500   -2.0491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 12  1  0  0  0  0
  2  3  2  0  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
26040

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H24ClNO

>  <Molecular Weight (nearest integer)>
342

>  <dtpname:Chemical Name>
1-Piperidineethanol, .alpha.-[p-(p-chlorostyryl)phenyl]-

>  <dtpname:Chemical Name>
1-Piperidineethanol, .alpha.[4-[2-(4-chlorophenyl)ethenyl]phenyl]-

$$$$
623051
  CML DOM 09261310252D

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  2  3  2  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <NSC>
623051

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H11ClN2O5

>  <Molecular Weight (nearest integer)>
383

$$$$
185056
  CML DOM 09261310252D

 24 25  0  0  0  0  0  0  0  0999 V2000
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   11.4168  -12.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  1  0  0  0  0
  3  7  1  0  0  0  0
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  6  7  2  0  0  0  0
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  8  9  2  0  0  0  0
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 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <NSC>
185056

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51984-29-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H13ClN4O3S

>  <Molecular Weight (nearest integer)>
365

>  <dtpname:9th C.I.>
Acetic acid, (2-chlorophenoxy)-, 6-[[(aminothioxomethyl)hydrazono]methyl]-3-pyridinyl ester

$$$$
352876
  CML DOM 09261310252D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.9638   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  8  2  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <NSC>
352876

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24O7

>  <Molecular Weight (nearest integer)>
376

>  <dtpname:Chemical Name>
Ethanol, 2-[[6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]-

$$$$
631521
  CML DOM 09261310252D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.6740    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
631521

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H8Cl2N2O2S

>  <Molecular Weight (nearest integer)>
375

>  <dtpname:Chemical Name>
Naphtho[2,3-d]thiazole-4,9-dione, 2-[(3,4-dichlorophenyl) amino]-

$$$$
681741
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
681741

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H24N2O

>  <Molecular Weight (nearest integer)>
368

$$$$
104117
  CML DOM 09261310252D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
104117

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
18776-75-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H18Cl2N2O2

>  <Molecular Weight (nearest integer)>
389

>  <dtpname:Chemical Name>
2-Oxazolin-5-one, 4-[p-[bis(2-chloroethyl)amino] benzylidene]-2-phenyl-

$$$$
281245
  CML DOM 09261310252D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
281245

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
84173-29-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H34O5

>  <Molecular Weight (nearest integer)>
391

>  <dtpname:Chemical Name>
BRL 2485

>  <dtpname:Chemical Name>
BRL-2485

>  <dtpname:Chemical Name>
COMPACTIN

$$$$
635321
  CML DOM 09261310252D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
635321

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H18ClNO3

>  <Molecular Weight (nearest integer)>
392

$$$$
629971
  CML DOM 09261310252D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
629971

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H17N3O4

>  <Molecular Weight (nearest integer)>
363

>  <dtpname:Chemical Name>
9-AMINO-20-CAMPTOTHECIN

>  <dtpname:Chemical Name>
9-AMINO-20-(R,S)-CAMPTOTHECIN

>  <dtpname:Chemical Name>
9-Amino-20-(R,S)-camptothecin

>  <dtpname:Chemical Name>
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 10-amino-4-ethyl-4-hydroxy-, (R,S)-

$$$$
235082
  CML DOM 09261310252D

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M  CHG  1   1   1
M  END
>  <NSC>
235082

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
64894-81-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H14N2O2.Na

>  <Molecular Weight (nearest integer)>
337

>  <dtpname:9th C.I.>
Benzoic acid, 4-(9-acridinylamino)-, monosodium salt

$$$$
623059
  CML DOM 09261310252D

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M  END
>  <NSC>
623059

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H13ClN2O4S

>  <Molecular Weight (nearest integer)>
389

$$$$
635328
  CML DOM 09261310252D

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M  END
>  <NSC>
635328

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H13Cl2NO3

>  <Molecular Weight (nearest integer)>
386

$$$$
705330
  CML DOM 09261310252D

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M  END
>  <NSC>
705330

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
207350-09-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H23NO4S

>  <Molecular Weight (nearest integer)>
385

$$$$
24819
  CML DOM 09261310252D

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   -4.4205    2.1790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9287    2.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
 10  3  1  6  0  0  0
 13  4  1  1  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  2  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8 14  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 20  1  6  0  0  0
 20 22  2  0  0  0  0
 20 21  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 25  2  0  0  0  0
 23 31  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
24819

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
518-29-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H22O8

>  <Molecular Weight (nearest integer)>
414

>  <dtpname:Chemical Name>
PELTATIN B

>  <dtpname:Chemical Name>
PELTATIN B

>  <dtpname:Chemical Name>
.beta.-Peltatin

>  <dtpname:Chemical Name>
.beta.-Peltatin A

>  <dtpname:Chemical Name>
Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-9-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-, .gamma.-lactone

>  <dtpname:9th C.I.>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-10-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.)]-

>  <dtpname:8th C.I.>
.alpha.-Peltalin A

$$$$
51812
  CML DOM 09261310252D

 33 35  0  0  0  0  0  0  0  0999 V2000
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    9.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  9  2  1  6  0  0  0
  6  3  1  6  0  0  0
  4 19  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  6  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  7 14  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 29  1  0  0  0  0
 15 20  1  0  0  0  0
 15 19  1  0  0  0  0
 15 25  1  6  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 20 24  1  0  0  0  0
 22 23  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <NSC>
51812

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6625-20-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22N2O7.ClH

>  <Molecular Weight (nearest integer)>
451

>  <dtpname:USAN>
Sancycline

>  <dtpname:Chemical Name>
GS 2147

>  <dtpname:Chemical Name>
FDA 0129

>  <dtpname:Chemical Name>
BONOMYCIN

>  <dtpname:Chemical Name>
SANCYCLINE

>  <dtpname:Chemical Name>
Bonomycin hydrochloride

>  <dtpname:Chemical Name>
Sancycline hydrochloride

>  <dtpname:Chemical Name>
2-Naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, hydrochloride

>  <dtpname:9th C.I.>
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,5a.alpha.,12a.alpha.)]-

$$$$
85700
  CML DOM 09261310252D

 26 28  0  0  0  0  0  0  0  0999 V2000
   12.4413    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8947    7.5000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 25  1  0  0  0  0
M  CHG  2  15   1  26  -1
M  END
>  <NSC>
85700

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6759-89-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H19N2O.I

>  <Molecular Weight (nearest integer)>
454

>  <dtpname:8th C.I.>
Quinolinium, 2-[2-(8-hydroxy-5-quinolyl)vinyl]-1,6-methyl-, iodide

$$$$
149765
  CML DOM 09261310252D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -7.1718    1.7746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7698    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0689    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4708   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0689   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1718   -1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8727    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8727   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7698   -1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0756    4.6899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9265    3.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5170    4.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3679    3.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3679   -1.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6670   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0689    4.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0689    5.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7698    3.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7992   -0.7499    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2992   -0.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7992   -2.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2992   -0.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7992    0.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <NSC>
149765

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63-45-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H21N3O.2H3O4P

>  <Molecular Weight (nearest integer)>
455

>  <dtpname:Chemical Name>
Primaquine phosphate

>  <dtpname:Chemical Name>
Primaquine diphosphate

>  <dtpname:9th C.I.>
1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-, phosphate (1:2)

>  <dtpname:8th C.I.>
Quinoline, 8-[(4-amino-1-methylbutyl)amino]-6-methoxy-, phosphate (1:2)

$$$$
265473
  CML DOM 09261310252D

 32 32  0  0  0  0  0  0  0  0999 V2000
  -14.1324   -5.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2497   -3.3666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1422   -6.8138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1064   -7.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2594   -5.0366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2236   -6.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7106   -7.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6747   -8.7443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4345   -6.8171    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2138   -4.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7008   -5.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6650   -7.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.1519   -8.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2333   -7.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7203   -9.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9703  -10.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9312   -3.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4540   -3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590   -2.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9052   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
M  END
>  <NSC>
265473

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
61786-74-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H35N3O4S

>  <Molecular Weight (nearest integer)>
426

>  <dtpname:Chemical Name>
2-Propenamide, N-[2-(decylthio)-1-(hydroxymethyl)ethyl]-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (E)-(.+-.)-

$$$$
331757
  CML DOM 09261310252D

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M  END
>  <NSC>
331757

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
81086-04-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H28N2O3.ClH

>  <Molecular Weight (nearest integer)>
429

>  <dtpname:Chemical Name>
2-Anthracenecarboxamide, N-[4-(diethylamino)-1-methylbutyl]-9,10-dihydro-9,10-dioxo-, monohydrochloride

$$$$
618261
  CML DOM 09261310252D

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M  CHG  2   3   1   4  -1
M  END
>  <NSC>
618261

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H25NO8

>  <Molecular Weight (nearest integer)>
407

>  <dtpname:Chemical Name>
2H-1-Benzopyran, 6-methoxy-3-nitro-2-[2,2,2',2'-tetramethyl (4,4'-bi-1,3-dioxolan)-5-yl]-

$$$$
634926
  CML DOM 09261310252D

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M  END
>  <NSC>
634926

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H21NOS

>  <Molecular Weight (nearest integer)>
432

$$$$
635435
  CML DOM 09261310252D

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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <NSC>
635435

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H18ClNO3

>  <Molecular Weight (nearest integer)>
392

>  <dtpname:Chemical Name>
5-chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one

$$$$
740
  CML DOM 09261310252D

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   -5.9462   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
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 15 20  1  0  0  0  0
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 28 29  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <NSC>
740

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
59-05-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H22N8O5

>  <Molecular Weight (nearest integer)>
454

>  <dtpname:USAN>
Methotrexate

>  <dtpname:Brand Name>
Trexall

>  <dtpname:Brand Name>
Abitrexate

>  <dtpname:Brand Name>
Mexate

>  <dtpname:Brand Name>
Folex

>  <dtpname:Chemical Name>
Amethopterin

>  <dtpname:Chemical Name>
MTX

>  <dtpname:Chemical Name>
HDMTX

>  <dtpname:Chemical Name>
Methylaminopterin

>  <dtpname:Chemical Name>
Metatrexan

>  <dtpname:Chemical Name>
Methopterin

>  <dtpname:Chemical Name>
R 9985

>  <dtpname:Chemical Name>
CL 14377

>  <dtpname:Chemical Name>
EMT 25,299

>  <dtpname:Chemical Name>
NCI-C04671

>  <dtpname:Chemical Name>
METHOTREXATE

>  <dtpname:Chemical Name>
METHOTREXATE

>  <dtpname:Chemical Name>
WLN: T66 BN DN GN JNJ CZ EZ H1N1&R DVMYVQ2VQ

>  <dtpname:9th C.I.>
L-Glutamic acid, N-[4-[[2,4-diamino-6-pteridinyl)methyl]- methylamino]benzoyl]-

>  <dtpname:8th C.I.>
Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl] methylamino]benzoyl]-, L-(+)-

$$$$
33410
  CML DOM 09261310252D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.5170   -9.8065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2046   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4546   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7046   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4546   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2046   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7046   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693   -5.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9179   -5.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5664   -5.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4546   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
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  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 22  1  6  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <NSC>
33410

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63989-75-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H27NO6

>  <Molecular Weight (nearest integer)>
462

>  <dtpname:Chemical Name>
N-BENZOYL-DEACETYLCOLCHICINE

>  <dtpname:Chemical Name>
COLCHICINE, N-BENZOYL-DEACETYL

>  <dtpname:Chemical Name>
Colchicinic acid, N-benzoyltrimethyl-, methyl ether

>  <dtpname:9th C.I.>
Benzamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-

$$$$
66300
  CML DOM 09261310252D

 28 27  0  0  0  0  0  0  0  0999 V2000
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   -3.1195   12.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205   11.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4185   11.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205   10.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4185   10.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1195    9.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7176    9.5969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1195    8.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205    7.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1195   14.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
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  3  5  2  0  0  0  0
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  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
66300

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H14O4S.C9H20N4

>  <Molecular Weight (nearest integer)>
415

>  <dtpname:Chemical Name>
Benzenesulfonic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-, compd. with 2-(2-ethylhexylidene)hydrazinecarboximidamide (1:1)

$$$$
98904
  CML DOM 09261310252D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -9.2205    4.2764    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8501    3.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.2242    3.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7242    3.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4742    4.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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M  CHG  2  17   1  28  -1
M  END
>  <NSC>
98904

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13896-99-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H14NS.ClO4

>  <Molecular Weight (nearest integer)>
412

>  <dtpname:Chemical Name>
Thiazolo[3,2-f]phenanthridinium, 3-phenyl- perchlorate

$$$$
167410
  CML DOM 09261310252D

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M  END
>  <NSC>
167410

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Missing or invalid elementType for atom : a11 .. Du

>  <Molecular Formula in DIS>
C21H20O11

>  <Molecular Weight (nearest integer)>
448

>  <dtpname:Chemical Name>
4H-1-Benzopyran-4-one, 3-[(deoxyhexosyl)oxy]-2-(3,4-dihydroxyphenyl)-6,8-dihdroxy-

$$$$
267700
  CML DOM 09261310252D

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M  END
>  <NSC>
267700

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62523-06-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H25Cl2N3O4

>  <Molecular Weight (nearest integer)>
454

>  <dtpname:Chemical Name>
Carbamic acid, ethyl-, [5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester

$$$$
345081
  CML DOM 09261310252D

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M  END
>  <NSC>
345081

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
88181-19-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H15Cl2N2O5P

>  <Molecular Weight (nearest integer)>
405

$$$$
620280
  CML DOM 09261310252D

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M  END
>  <NSC>
620280

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H24N6O

>  <Molecular Weight (nearest integer)>
412

>  <dtpname:Chemical Name>
1H-Pyrazole-3-one, 4-[[[4-[bis(2-cyanoethyl)amino]phenyl] methylene]amino]-2,3-dihydro-1,5-dimethyl-2-phenyl-

$$$$
634928
  CML DOM 09261310252D

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 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
M  END
>  <NSC>
634928

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H29N3O3

>  <Molecular Weight (nearest integer)>
468

$$$$
635438
  CML DOM 09261310252D

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M  CHG  2  23   1  24  -1
M  END
>  <NSC>
635438

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H10Cl2N2O5

>  <Molecular Weight (nearest integer)>
381

$$$$
2186
  CML DOM 09261310252D

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M  END
>  <NSC>
2186

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
125-20-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H30O4

>  <Molecular Weight (nearest integer)>
431

>  <dtpname:Chemical Name>
Thymophthalein

>  <dtpname:Chemical Name>
Thymolphthalein

>  <dtpname:9th C.I.>
1(3H)-Isobenzofuranone, 3,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-

>  <dtpname:8th C.I.>
Phenolphthalein, 5',5''-diisopropyl-2',2''-dimethyl-

$$$$
35489
  CML DOM 09261310252D

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M  CHG  2   1  -1   2   1
M  END
>  <NSC>
35489

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7401-24-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H18NO.I

>  <Molecular Weight (nearest integer)>
475

$$$$
67580
  CML DOM 09261310252D

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   -7.4192   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192  -12.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183  -13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
67580

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6965-36-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H24O9

>  <Molecular Weight (nearest integer)>
432

$$$$
100856
  CML DOM 09261310252D

 27 28  0  0  0  0  0  0  0  0999 V2000
    5.9462    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6866    7.0488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2394    4.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9789    5.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7980    4.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1280    6.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    6.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4413    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  2  0  0  0  0
  2 14  1  0  0  0  0
  3 11  1  0  0  0  0
  3 25  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
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 13 15  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 21 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
100856

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14937-58-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H20N4O2.2ClH

>  <Molecular Weight (nearest integer)>
409

$$$$
168597
  CML DOM 09261310252D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -7.6154   -5.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1154   -5.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3654   -3.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8654   -3.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6154   -5.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1154   -5.2628    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3654   -6.5618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8654   -6.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6346   -6.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8654   -6.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1154   -7.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8654   -9.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3846   -7.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3654   -9.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
168597

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13302-14-2

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Pb(a6) connected atoms =[ C C Cl C ]

>  <Molecular Formula in DIS>
C12H27ClPb

>  <Molecular Weight (nearest integer)>
414

>  <dtpname:Chemical Name>
Tributylchlorolead

>  <dtpname:Chemical Name>
Tributyllead chloride

>  <dtpname:Chemical Name>
Plumbane, chlorotributyl-

>  <dtpname:Chemical Name>
Lead, tributyl-, chloride

>  <dtpname:Chemical Name>
WLN: G-PB-4&4&4

>  <dtpname:9th C.I.>
Plumbane, tributylchloro-

>  <dtpname:8th C.I.>
Plumbane, tributylchloro-

$$$$
267712
  CML DOM 09261310252D

 33 38  0  0  0  0  0  0  0  0999 V2000
   -1.0883    4.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2107    7.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2107    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5098    4.8850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088    7.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8088    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3040    7.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1941   11.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6123    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613   11.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  1 31  2  0  0  0  0
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  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 27  1  0  0  0  0
 18 21  1  0  0  0  0
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 20 25  1  0  0  0  0
 21 27  1  0  0  0  0
 22 25  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 26  1  0  0  0  0
 25 29  2  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
267712

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H36O5

>  <Molecular Weight (nearest integer)>
453

>  <dtpname:Chemical Name>
RESIBUFOGENIN, METHACRYLATE DERIV

$$$$
349644
  CML DOM 09261310252D

 31 36  0  0  0  0  0  0  0  0999 V2000
   -6.2652   -5.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2652  -11.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6671   -5.6486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3681   -9.3986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6800   -3.4314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2300   -7.8986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1718   -3.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7819   -4.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3681   -7.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5643   -9.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8633   -7.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
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  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
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 15 19  2  0  0  0  0
 15 26  1  0  0  0  0
 16 20  2  0  0  0  0
 16 17  1  0  0  0  0
 18 23  1  0  0  0  0
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 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  3  0  0  0  0
M  END
>  <NSC>
349644

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
82423-05-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H26N4O5

>  <Molecular Weight (nearest integer)>
426

>  <dtpname:Chemical Name>
CYANOCYCLINE A

>  <dtpname:Chemical Name>
CYANOCYCLINE A (CHUGAI)

>  <dtpname:Chemical Name>
4,6-Methano-5H-benz[h]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-5,12-dimethyl-10,13-dioxo-

$$$$
623746
  CML DOM 09261310252D

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M  END
>  <NSC>
623746

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H20N2O6S2

>  <Molecular Weight (nearest integer)>
449

$$$$
635312
  CML DOM 09261310252D

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M  END
>  <NSC>
635312

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H15Cl2NO3

>  <Molecular Weight (nearest integer)>
412

>  <dtpname:Chemical Name>
5,7-dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one

$$$$
644735
  CML DOM 09261310252D

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M  CHG  4   1   1  13   1  14  -1  28  -1
M  END
>  <NSC>
644735

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H13N5O6

>  <Molecular Weight (nearest integer)>
395

$$$$
2979
  CML DOM 09261310252D

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M  END
>  <NSC>
2979

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H30Cl4O2

>  <Molecular Weight (nearest integer)>
444

>  <dtpname:Chemical Name>
7,8,8A,9-TETRACHLOROTETRADECAHYDRO-7-ISOPROPYL-1.BETA.,4A.BETA.-DIMETHYLPHENANTHRENE-1-CARBOXYLIC ACID

$$$$
35949
  CML DOM 09261310252D

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M  END
>  <NSC>
35949

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H27N3O2S

>  <Molecular Weight (nearest integer)>
470

$$$$
67690
  CML DOM 09261310252D

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 29 31  1  0  0  0  0
M  END
>  <NSC>
67690

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6954-59-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H19NO3

>  <Molecular Weight (nearest integer)>
405

$$$$
104129
  CML DOM 09261310252D

 29 30  0  0  0  0  0  0  0  0999 V2000
   11.1484    5.6417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8084    1.6613    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
104129

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
15986-25-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H25Cl2N5.ClH

>  <Molecular Weight (nearest integer)>
455

>  <dtpname:Chemical Name>
s-Triazine, 4,6-diamino-1-[p-[4-(2,4-dichlorophenyl)butyl]phenyl]-1,2-dihydro-2,2-dimethyl-, monohydrochloride

$$$$
170984
  CML DOM 09261310252D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 24 25  1  0  0  0  0
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 26 31  2  0  0  0  0
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 27 29  1  0  0  0  0
M  END
>  <NSC>
170984

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2062-78-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H29F2N3O

>  <Molecular Weight (nearest integer)>
462

>  <dtpname:USAN>
Pimozide

>  <dtpname:Chemical Name>
Orap

>  <dtpname:Chemical Name>
R 6238

>  <dtpname:Chemical Name>
Opiran

>  <dtpname:Chemical Name>
McN-JR-6238

>  <dtpname:Chemical Name>
McN-JR 6238

>  <dtpname:Chemical Name>
1-[1-[4,4-Bis(p-fluorophenyl)butyl]-4-piperidyl]-2-benzimidazolinone

>  <dtpname:Chemical Name>
1-[4,4-Bis(p-fluorophenyl)butyl]-4-(2-oxo-1-benzimidazolinyl)piperidine

>  <dtpname:Chemical Name>
WLN: T56 BMVNJ D- DT6NTJ A3YR DF&R DF

>  <dtpname:9th C.I.>
2H-Benzimidazol-2-one, 1-[1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-

>  <dtpname:8th C.I.>
2-Benzimidazolinone, 1-[1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl]-

$$$$
273829
  CML DOM 09261310252D

 33 36  0  0  0  0  0  0  0  0999 V2000
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  7  8  1  0  0  0  0
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  9 10  2  0  0  0  0
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 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
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 26 31  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <NSC>
273829

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
75919-74-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H34N6

>  <Molecular Weight (nearest integer)>
443

>  <dtpname:Chemical Name>
4,7-Quinolinediamine, N4,N4'-1,7-heptanediylbis[2-methyl-

>  <dtpname:Chemical Name>
N,N'-Bis(2-methyl-7-amino-4-quinolinyl)-1,7-heptanediamine

>  <dtpname:Chemical Name>
4,7-Quinolinediamine, N(4),N(4')-1,7-heptanediylbis(2-methyl-

>  <dtpname:Chemical Name>
4,7-Quinolinediamine, N(4),N(4')-1,7-heptanediylbis[2-methyl-

$$$$
351306
  CML DOM 09261310252D

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M  END
>  <NSC>
351306

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H26N2O3S

>  <Molecular Weight (nearest integer)>
435

$$$$
624158
  CML DOM 09261310252D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
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 24 25  2  0  0  0  0
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 27 28  2  0  0  0  0
M  END
>  <NSC>
624158

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
111238-61-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H20O4S4

>  <Molecular Weight (nearest integer)>
429

>  <dtpname:Chemical Name>
Benzenesulfonothioic acid, 4-methyl-,2-butene-1,4-diyl ester, (Z)-

>  <dtpname:Chemical Name>
Benzenethiosulfonic acid, 4-methyl-, 2-butene-1,4-diyl ester, (Z)-

$$$$
635366
  CML DOM 09261310252D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 24 25  1  0  0  0  0
M  END
>  <NSC>
635366

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H25ClN2S2

>  <Molecular Weight (nearest integer)>
405

$$$$
657456
  CML DOM 09261310252D

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M  END
>  <NSC>
657456

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H11BrN4OS

>  <Molecular Weight (nearest integer)>
399

$$$$
11930
  CML DOM 09261310252D

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M  END
>  <NSC>
11930

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6329-82-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H20INO.ClH

>  <Molecular Weight (nearest integer)>
418

$$$$
40341
  CML DOM 09261310252D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
40341

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6312-47-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H16Cl2N2O4

>  <Molecular Weight (nearest integer)>
467

>  <dtpname:Chemical Name>
1,4-Naphthoquinone, 2,2'-(1,4-piperazinediyl)bis[3-chloro-

>  <dtpname:Chemical Name>
1,4-Naphthalenedione, 2,2'-(1,4-piperazinediyl)bis[3-chloro-

$$$$
71300
  CML DOM 09261310252D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
71300

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70460-30-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22O8

>  <Molecular Weight (nearest integer)>
402

$$$$
109444
  CML DOM 09261310252D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
109444

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14509-96-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H34N2.ClH

>  <Molecular Weight (nearest integer)>
423

>  <dtpname:Chemical Name>
Lobinaline, monohydrochloride

$$$$
173904
  CML DOM 09261310252D

 31 32  0  0  0  0  0  0  0  0999 V2000
   -4.1716   10.7745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   12.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  1  0  0  0  0
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  5 15  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
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 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
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 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <NSC>
173904

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H29ClN2O4

>  <Molecular Weight (nearest integer)>
445

>  <dtpname:Chemical Name>
Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester

$$$$
292663
  CML DOM 09261310252D

 32 33  0  0  0  0  0  0  0  0999 V2000
    6.3139    0.6666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9044    1.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6129    1.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    2.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6129    2.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9120    0.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3457    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0158   -1.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9120    3.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4982    3.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9120   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6001    5.1338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5101    0.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8091    1.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5101   -3.8334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
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 14 20  2  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 15 17  1  0  0  0  0
 23 25  1  0  0  0  0
 22 31  1  0  0  0  0
 26 32  1  0  0  0  0
M  END
>  <NSC>
292663

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66922-25-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H30O8

>  <Molecular Weight (nearest integer)>
422

>  <dtpname:Chemical Name>
EUPACURVIN

>  <dtpname:Chemical Name>
Eupacurvin

>  <dtpname:Chemical Name>
Eurecurvin

>  <dtpname:Chemical Name>
Butanoic acid, 2-methyl-, 7-(acetyloxy)-2,3,3a,4,7,8,9,11a-octahydro-9-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester

$$$$
374898
  CML DOM 09261310252D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.5000    9.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    9.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2500    8.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625    2.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5125    1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    3.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    1.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7625    2.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0000    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8  9  1  0  0  0  0
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 10 14  1  0  0  0  0
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 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 25  1  0  0  0  0
 21 30  1  0  0  0  0
 22 24  2  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <NSC>
374898

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
523-67-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H21N3O3

>  <Molecular Weight (nearest integer)>
411

>  <dtpname:Chemical Name>
Magon

$$$$
624947
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
  -10.1178   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   -5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1178   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7159   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -0.2745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168   -0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4168    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0149    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3139    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.0149    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.7159    3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6130    4.2255    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  7 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 20 21  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <NSC>
624947

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H15Cl2N5O2

>  <Molecular Weight (nearest integer)>
416

>  <dtpname:Chemical Name>
Pyrimidine-5-carboxamide, N-(4-chlorophenyl)-4- [2-[(4-chlorophenyl)methylene]hydrazino]-1,2-dihydro- 6-methyl-2-oxo-

$$$$
635436
  CML DOM 09261310252D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -8.6899   -7.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9889   -8.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9889   -9.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6899  -10.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3908   -9.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3908   -8.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9642   -7.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0826   -8.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9642  -10.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5743   -6.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5826   -8.8832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6652   -6.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6652   -5.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9642   -4.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3662   -4.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0671   -5.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681   -4.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681   -3.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3661   -3.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0671   -2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6899   -5.8832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.6899  -11.8832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0671   -6.9196    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5310   -2.4197    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 18 24  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
635436

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H9Cl4NO3

>  <Molecular Weight (nearest integer)>
405

$$$$
678917
  CML DOM 09261310252D

 27 28  0  0  0  0  0  0  0  0999 V2000
    4.2721    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    0.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6644   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -1.6005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9635   -0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9635    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2625   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1668    4.5736    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
678917

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H22N4O3.ClH

>  <Molecular Weight (nearest integer)>
391

>  <dtpname:Chemical Name>
1-Phenazinecarboxamide, N-[2-(dimethylamino)ethyl]- 6,9-dimethoxy-, monohydrochloride

$$$$
19857
  CML DOM 09261310252D

 31 33  0  0  0  0  0  0  0  0999 V2000
   12.0000    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2990    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2990    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500   -1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7500   -1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7500    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5000   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    4.8481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    6.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    6.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5000   -2.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7500   -4.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 29  1  0  0  0  0
 10 12  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
19857

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67-98-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H33NO3

>  <Molecular Weight (nearest integer)>
420

>  <dtpname:Chemical Name>
MER 25

>  <dtpname:Chemical Name>
Ethanoxytriphetol

>  <dtpname:Chemical Name>
Ethamoxytriphetol

>  <dtpname:Chemical Name>
(p-2-Diethylaminoethoxyphenyl)-1-phenyl-2-p-anisylethanol

>  <dtpname:Chemical Name>
1-[4-(2-Diethylaminoethoxy)phenyl]-1-phenyl-2-(p-anisyl)ethanol

>  <dtpname:Chemical Name>
1-[p-[2-(Diethylamino)ethoxy]phenyl]-1-phenyl-2-(p-methoxyphenyl)ethanol

>  <dtpname:Chemical Name>
WLN: 2N2&2OR DXQR&1R DO1

>  <dtpname:9th C.I.>
Benzeneethanol, .alpha.-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-.alpha.-phenyl-

>  <dtpname:8th C.I.>
Ethanol, 1-[p-[2-(diethylamino)ethoxy]phenyl]-2-(p-methoxyphenyl)-1-phenyl-

$$$$
40666
  CML DOM 09261310252D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.2839    2.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    4.3660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829   -0.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3085    2.5795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904   -2.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3085    0.1525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3867    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6858    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3867    4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6858    5.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848    4.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5829    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8819    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1902    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2839    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7721   -1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1986   -1.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1987   -3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7721   -3.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4122   -0.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3085   -5.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848   -0.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3122   -6.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4122   -4.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2839    5.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6858    6.6160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1 17  1  0  0  0  0
  2 13  1  0  0  0  0
  2 27  1  0  0  0  0
  3 17  2  0  0  0  0
  3 15  1  0  0  0  0
  4 16  2  0  0  0  0
  4 14  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 23  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
40666

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
13153-25-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H18ClN5O4S

>  <Molecular Weight (nearest integer)>
424

>  <dtpname:Chemical Name>
PC 255

>  <dtpname:Chemical Name>
NSC 40666

>  <dtpname:Chemical Name>
9H-Purine, 2-amino-6-(o-chlorobenzylthio)-9-.beta.-D-ribofuranosyl-

>  <dtpname:9th C.I.>
9H-Purin-2-amine, 6-[[(2-chlorophenyl)methyl]thio]-9-.beta.-D-ribofuranosyl-

>  <dtpname:8th C.I.>
9H-Purine, 2-amino-6-[(o-chlorobenzyl)thio]-9-.beta.-D-ribofuranosyl-

$$$$
71669
  CML DOM 09261310252D

 33 35  0  0  0  0  0  0  0  0999 V2000
   -4.9216  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226  -13.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   -9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736  -13.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8726  -11.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226  -15.2745    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1226  -13.7745    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226  -13.7745    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   -4.0245    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4216   -3.4755    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -6.0736    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707  -10.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   -7.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726  -14.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745  -14.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 23  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
>  <NSC>
71669

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1548-91-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14F6N4

>  <Molecular Weight (nearest integer)>
412

$$$$
113090
  CML DOM 09261310252D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.8897    3.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5491    1.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3842    3.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9674    2.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8332    1.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2356    1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485    1.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0478   -3.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4218    1.3938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
  2  5  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 11 14  1  0  0  0  0
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 13 17  1  0  0  0  0
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 14 15  1  0  0  0  0
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 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 25  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <NSC>
113090

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
472-15-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H48O3

>  <Molecular Weight (nearest integer)>
457

>  <dtpname:Chemical Name>
Mairin

>  <dtpname:Chemical Name>
Betulic acid

>  <dtpname:Chemical Name>
Betulinic acid

>  <dtpname:9th C.I.>
Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3.beta.)-

>  <dtpname:8th C.I.>
Lup-20(29)-en-28-oic acid, 3.beta.-hydroxy-

$$$$
174176
  CML DOM 09261310252D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.5735   -4.7745    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
174176

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
56457-41-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H18HgO2

>  <Molecular Weight (nearest integer)>
407

>  <dtpname:Chemical Name>
Mercury, (acetyloxy)(pentamethylphenyl)-

$$$$
293015
  CML DOM 09261310252D

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.0490    6.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5442    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8433    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   10.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  6  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <NSC>
293015

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
87626-57-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H25NO4.ClH

>  <Molecular Weight (nearest integer)>
416

>  <dtpname:Chemical Name>
4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(diethylamino)ethyl ester,hydrochloride

$$$$
376248
  CML DOM 09261310252D

 36 42  0  0  0  0  0  0  0  0999 V2000
  -14.2828    0.7385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2828    5.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2828    3.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9837    5.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9837    2.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9837    1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6847    3.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6847    5.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6847    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4885    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4885    5.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4885    3.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1895    1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
376248

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35290-22-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C31H22O5

>  <Molecular Weight (nearest integer)>
475

>  <dtpname:Chemical Name>
NORDRACORUBIN

>  <dtpname:Chemical Name>
Nordracorubin

$$$$
626120
  CML DOM 09261310252D

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M  END
>  <NSC>
626120

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H22Cl2O5

>  <Molecular Weight (nearest integer)>
413

>  <dtpname:Chemical Name>
Methyl 3,5-di-O-(4-chlorobenzyl)-.alpha.-D-ribofuranoside

$$$$
635824
  CML DOM 09261310252D

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M  END
>  <NSC>
635824

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H24N2O5

>  <Molecular Weight (nearest integer)>
420

$$$$
680509
  CML DOM 09261310252D

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M  END
>  <NSC>
680509

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H25N3O2.ClH

>  <Molecular Weight (nearest integer)>
388

$$$$
24048
  CML DOM 09261310252D

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M  END
>  <NSC>
24048

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5459-47-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H18N2O.HI

>  <Molecular Weight (nearest integer)>
442

$$$$
43321
  CML DOM 09261310252D

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   -7.0245   -5.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5245   -0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2745   -4.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0245   -2.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.2745    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0245    2.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5245   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7745   -6.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -1.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2745   -4.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -4.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2745   -1.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 25  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 22  1  0  0  0  0
  5 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 27  1  0  0  0  0
  6 12  1  0  0  0  0
  7 24  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 23  1  0  0  0  0
  9 18  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 11 20  1  0  0  0  0
 11 17  1  0  0  0  0
 11 19  1  0  0  0  0
 12 19  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 26  1  0  0  0  0
 18 21  1  0  0  0  0
 23 24  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <NSC>
43321

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
155-58-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H24O9

>  <Molecular Weight (nearest integer)>
420

>  <dtpname:Chemical Name>
Ponticin

>  <dtpname:Chemical Name>
RHAPONTIN

>  <dtpname:Chemical Name>
Rhaponticin

>  <dtpname:Chemical Name>
RHAPONTICINE

>  <dtpname:Chemical Name>
Rhapontigenin, 3-.beta.-D-glucopyranoside

>  <dtpname:Chemical Name>
Glucopyranoside, rhapontigenin-3, .beta.-D-

>  <dtpname:9th C.I.>
.beta.-D-Glucopyranoside, 3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl

>  <dtpname:8th C.I.>
Rhapontin

$$$$
73413
  CML DOM 09261310252D

 32 34  0  0  0  0  0  0  0  0999 V2000
    7.5073    6.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0978    7.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9545    9.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5450   10.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2150    8.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2845   11.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8749   12.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0659    7.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3959    9.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7259   11.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6564    7.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9864    9.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    6.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1987    5.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1987    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    8.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1987   10.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987    5.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6987   10.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487    6.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487    8.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487   11.5174    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4487   11.5174    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6987   12.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    3.7231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3264    5.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487    6.3212    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487    7.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0513    6.3212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487    4.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747    1.0246    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  CHG  3  23   1  24  -1  32   1
M  END
>  <NSC>
73413

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3618-58-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H13N3O7S.Na

>  <Molecular Weight (nearest integer)>
462

>  <dtpname:Chemical Name>
C.I. 15710

>  <dtpname:Chemical Name>
Chrome Black S

>  <dtpname:Chemical Name>
Mordant Black 1

>  <dtpname:Chemical Name>
Potting Black B

>  <dtpname:Chemical Name>
Hispacrom Black A

>  <dtpname:Chemical Name>
Diacromo Black AS

>  <dtpname:Chemical Name>
Eniacromo Black A

>  <dtpname:Chemical Name>
Diamond Black EAN

>  <dtpname:Chemical Name>
Magracrom Black AN

>  <dtpname:Chemical Name>
Eriochrome Black A

>  <dtpname:Chemical Name>
Apochrome Black NV

>  <dtpname:Chemical Name>
Apochrome Black WB

>  <dtpname:Chemical Name>
Chromazine Black A

>  <dtpname:Chemical Name>
Diamantine Black A

>  <dtpname:Chemical Name>
Fenakrom Black EAN

>  <dtpname:Chemical Name>
Chromogen Black VA

>  <dtpname:Chemical Name>
Chromocard Black A

>  <dtpname:Chemical Name>
Yodochrome Black AC

>  <dtpname:Chemical Name>
Acid Chrome Black C

>  <dtpname:Chemical Name>
Acid Chrome Black N

>  <dtpname:Chemical Name>
Acid Chrome Black S

>  <dtpname:Chemical Name>
Chrome Deep Black A

>  <dtpname:Chemical Name>
Chrome Fast Black A

>  <dtpname:Chemical Name>
Fast Chrome Black A

>  <dtpname:Chemical Name>
Pontachrome Black A

>  <dtpname:Chemical Name>
Solochrome Black AS

>  <dtpname:Chemical Name>
Solochrome Black VN

>  <dtpname:Chemical Name>
Sunchromine Black A

>  <dtpname:Chemical Name>
Chrome Fast Black AS

>  <dtpname:Chemical Name>
Omega Chrome Black P

>  <dtpname:Chemical Name>
Chromogene Black EAG

>  <dtpname:Chemical Name>
C.I. Mordant Black 1

>  <dtpname:Chemical Name>
Superchrome Black BN

>  <dtpname:Chemical Name>
Acid Chrome Black An

>  <dtpname:Chemical Name>
Omega Chrome Black PA

>  <dtpname:Chemical Name>
Aizen Chrome Black AH

>  <dtpname:Chemical Name>
Tertrochrome Black GA

>  <dtpname:Chemical Name>
Diadem Chrome Black A

>  <dtpname:Chemical Name>
Shikiso Chrome Black A

>  <dtpname:Chemical Name>
Diadem Chrome Black PA

>  <dtpname:Chemical Name>
Mitsui Chrome Black AC

>  <dtpname:Chemical Name>
Chrome Printing Black M

>  <dtpname:Chemical Name>
Basolan Chrome Black VDC

>  <dtpname:Chemical Name>
Potting Chrome Black B-CP

>  <dtpname:Chemical Name>
Cibaphasol Chrome Black A

>  <dtpname:Chemical Name>
Symulon Chrome Blue Black AC

>  <dtpname:9th C.I.>
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-, monosodium salt

>  <dtpname:8th C.I.>
C.I. Mordant Black 1

>  <dtpname:8th C.I.>
C.I. Mordant Black 1

>  <dtpname:VAN>
C.I. Mordant Black 1

>  <dtpname:VAN>
C.I. Mordant Black 1

$$$$
138429
  CML DOM 09261310252D

 32 33  0  0  0  0  0  0  0  0999 V2000
    3.1235  -11.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5469   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0853  -10.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9315   -7.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0341   -8.3359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4441   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4441   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3585   -7.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950   -9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3950   -9.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8519  -14.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9702  -15.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5803  -16.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2418  -12.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -12.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133  -10.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5771  -10.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4588  -11.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9635  -10.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6390  -11.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1872   -9.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3055   -7.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9156   -6.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2355  -11.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1832  -12.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4553  -13.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 21  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 13  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
138429

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
34409-15-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H31N3O8

>  <Molecular Weight (nearest integer)>
453

>  <dtpname:9th C.I.>
2(1H)-Pyrimidinone, 4-amino-1-[2,3,5-tris-O-(1-oxobutyl)-.beta.-D-arabinofuranosyl]-

>  <dtpname:8th C.I.>
Cytosine, 1-.beta.-D-arabinofuranosyl-, 2',3',5'-tributyrate

$$$$
196524
  CML DOM 09261310252D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.6471    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6553    5.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6195    4.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1326    2.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2 18  2  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  3 27  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5 13  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  2  0  0  0  0
 10 11  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
196524

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
21288-60-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H20O9

>  <Molecular Weight (nearest integer)>
428

>  <dtpname:Chemical Name>
e-Rhodomycinone

>  <dtpname:Chemical Name>
RHODOMYCINONE, E-

>  <dtpname:Chemical Name>
.epsilon.-Rhodomycinone

$$$$
329696
  CML DOM 09261310252D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.6252    0.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7742   -0.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6252    2.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5138   -1.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1838    0.3871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9242    3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0271    2.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7280    3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7152    0.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3261    4.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7325    3.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0271    6.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 15 21  2  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  2  0  0  0  0
 14 17  1  0  0  0  0
 23 25  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <NSC>
329696

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H30O7

>  <Molecular Weight (nearest integer)>
418

>  <dtpname:Chemical Name>
HM-9-AO

$$$$
600300
  CML DOM 09261310252D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -2.0715    3.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3378    2.5265    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0295    3.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6460    1.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6040    1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8959    1.1995    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6297   -0.1087    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    2.9380    0.6250    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.3635   -1.4170    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.3214   -0.8425    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5635   -2.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975   -3.2727    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473   -2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3523   -4.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585   -4.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146    2.6994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    1.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4124    0.4658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1785   -0.8238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  CHG  5   6   1   7   2   8  -1   9  -1  10   1
M  END
>  <NSC>
600300

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Cl(a8) connected atoms =[ Pt ]

>  <Molecular Formula in DIS>
C8H26Cl2N2PtSi2

>  <Molecular Weight (nearest integer)>
472

$$$$
627666
  CML DOM 09261310252D

 34 39  0  0  0  0  0  0  0  0999 V2000
  -10.0173   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.7183   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1202   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
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  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 23  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 22  2  0  0  0  0
 23 24  3  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 34  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <NSC>
627666

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H22N2O5

>  <Molecular Weight (nearest integer)>
454

>  <dtpname:Chemical Name>
1H-Benzo[de]-1,3-benzodioxolo[5,6]quinoline-6a- carbonitrile, 6-benzoyl-1,2-dimethoxy-

$$$$
635833
  CML DOM 09261310252D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
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 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
635833

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H20N2O5S

>  <Molecular Weight (nearest integer)>
412

$$$$
684480
  CML DOM 09261310252D

 29 33  0  0  0  0  0  0  0  0999 V2000
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   -0.8883  -15.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3617  -13.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617  -16.4172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1117   -9.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3617   -8.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1117   -9.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3617  -11.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8617  -11.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  2  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
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 17 22  1  0  0  0  0
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 19 20  2  0  0  0  0
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 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <NSC>
684480

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H17ClN2O

>  <Molecular Weight (nearest integer)>
397

>  <dtpname:Chemical Name>
7H-Pyrido[3,2-d][1]benzazepin-6-one, 2-(3-chlorophenyl)- 5,6-dihydro-4-phenyl-

$$$$
24818
  CML DOM 09261310252D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.2696   -0.2231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430    1.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3587    2.9299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7234    6.5572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7816    6.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9952    3.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816    5.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    5.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3550    6.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3715    3.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8797    3.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696    2.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3550    4.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532    2.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7449    2.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7816    4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8430    0.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6266    1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3900   -0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0999    6.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2717   -2.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6616   -3.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4919    0.5608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1020    1.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
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 13  3  1  1  0  0  0
  8  4  1  6  0  0  0
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  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  6  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 16  1  0  0  0  0
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 14 18  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  6  0  0  0
 20 22  2  0  0  0  0
 20 21  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 25  2  0  0  0  0
 23 31  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
24818

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
518-28-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H22O8

>  <Molecular Weight (nearest integer)>
414

>  <dtpname:Chemical Name>
PODOPHYLLOTOXIN

>  <dtpname:Chemical Name>
PODOPHYLLOTOXIN

>  <dtpname:Chemical Name>
Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl-, .gamma.-lactone

>  <dtpname:9th C.I.>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.alpha.)]-

>  <dtpname:8th C.I.>
Podophyllotoxin

$$$$
47438
  CML DOM 09261310252D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -3.9403    2.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182    6.8431    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    9.4269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6058    8.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021   12.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0287   11.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2796   10.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714   10.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3815    9.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0287   10.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021    9.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4998    8.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0081    8.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100    6.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6017    6.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2119    5.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3621   13.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8393   12.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509   14.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409   13.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  2  0  0  0  0
 12  2  1  6  0  0  0
 13  3  1  1  0  0  0
 11  4  1  6  0  0  0
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  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14 23  1  1  0  0  0
 15 16  2  0  0  0  0
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 20 24  1  6  0  0  0
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 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <NSC>
47438

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3801-06-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H31FO5

>  <Molecular Weight (nearest integer)>
419

>  <dtpname:Chemical Name>
U 17323

>  <dtpname:Chemical Name>
U-17323

>  <dtpname:Chemical Name>
Oxylone acetate

>  <dtpname:Chemical Name>
Fluorometholone acetate

>  <dtpname:Chemical Name>
Progesterone, 1-dehydro-9-fluoro-11.beta.,17-dihydroxy-6.alpha.-methyl-,17-acetate

>  <dtpname:9th C.I.>
Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-6-methyl-, (6.alpha.,11.beta.)-

>  <dtpname:8th C.I.>
Pregna-1,4-diene-3,20-dione, 9-fluoro-11.beta.,17-dihydroxy-6.alpha.-methyl-, 17-acetate

$$$$
85561
  CML DOM 09261310252D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.8505    8.1692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005    6.8702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8505    8.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3505    8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6005    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6005    9.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1004    9.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6005    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3505    8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3505    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1005    6.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8505    8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8768    4.0116    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.8409    5.1607    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    5.3505    5.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005    9.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8236   10.8678    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.8768    7.1307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3540    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1372    5.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  2  0  0  0  0
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  4  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
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  8 11  2  0  0  0  0
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  9 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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 14 27  1  0  0  0  0
 15 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
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 20 22  2  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
M  CHG  3  23   1  24  -1  28   1
M  END
>  <NSC>
85561

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
518-88-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H13N3O7S.Na

>  <Molecular Weight (nearest integer)>
462

>  <dtpname:Chemical Name>
3-hydroxy-4-((1-hydroxynaphthalen-2-yl)diazenyl)-7-nitronaphthalene-1-sulfonic acid, sodium sallt

$$$$
142982
  CML DOM 09261310252D

 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.4241  -10.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241  -14.6987    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740  -11.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250  -12.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730  -12.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241  -11.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7231  -12.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0222  -11.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3212  -12.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730  -13.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250  -13.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7231  -13.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3212  -13.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740  -14.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0222  -14.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740  -10.1987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740  -16.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730   -9.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4731  -16.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730   -7.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -7.1987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1251   -7.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241   -7.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -5.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1251   -4.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7499   -4.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7499   -2.7992    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501   -2.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7499   -1.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2499   -2.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4 11  2  0  0  0  0
  4  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <NSC>
142982

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23255-93-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24N2O2S.CH4O3S

>  <Molecular Weight (nearest integer)>
453

>  <dtpname:Chemical Name>
Hycanthone mesylate

>  <dtpname:Chemical Name>
Hycanthone methane sulfate

>  <dtpname:Chemical Name>
Hycanthone monomethanesulfonate

>  <dtpname:9th C.I.>
9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-(hydroxymethyl)-, monomethanesulfonate (salt)

>  <dtpname:8th C.I.>
Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-4-(hydroxymethyl)-, monomethanesulfonate (salt)

>  <dtpname:VAN>
Hycanthone methanesulfonate

$$$$
256927
  CML DOM 09261310252D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -2.2231   -6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -5.8995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -5.8995    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -5.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -2.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -7.3995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
  8 14  1  0  0  0  0
  7 15  1  0  0  0  0
  4 16  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <NSC>
256927

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62928-11-4

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for C6H18Cl2N2O2Pt in C6H20Cl2N2O2Pt

>  <Molecular Formula in DIS>
C6H20Cl2N2O2Pt

>  <Molecular Weight (nearest integer)>
418

>  <dtpname:USAN>
Iproplatin

>  <dtpname:Chemical Name>
CHIP

>  <dtpname:Chemical Name>
IPROPLATIN

>  <dtpname:Chemical Name>
ab-Dichloro-ce-dihydroxy-df-bis(isopropylamine)platinum

>  <dtpname:Chemical Name>
Platinum, dichlorodihydroxybis(2-propanamine)-, (oc-6-33)-

>  <dtpname:9th C.I.>
2-Propanamine, platinum complex

>  <dtpname:9th C.I.>
Platinum, dichlorodihydroxybis(2-propanamine)-, (OC-6-33)-

$$$$
330515
  CML DOM 09261310252D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -5.4453    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8918    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9359   -5.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3132   -0.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9033   -7.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0782   -4.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5299   -6.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3159   -3.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3388   -0.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9319   -1.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2776    0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5060   -2.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8516   -1.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5117   -4.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2520   -1.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8918   -2.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2776   -2.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0876   -4.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8975   -5.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6779   -3.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1908   -3.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5060    0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8918    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4734   -5.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3217   -5.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7391   -1.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0933   -6.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5911   -4.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6167   -4.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6692   -6.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 19  2  0  0  0  0
 14 25  1  0  0  0  0
 15 20  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 21  2  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 24 30  1  0  0  0  0
M  END
>  <NSC>
330515

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
69363-14-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H30O6

>  <Molecular Weight (nearest integer)>
402

>  <dtpname:Chemical Name>
SCHISANHENOL

$$$$
603578
  CML DOM 09261310252D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.1090    4.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4081    3.5262    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.6581    2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1581    4.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6581    4.8253    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1581    2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6581    2.2272    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4081    3.5263    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    6.8716    4.9528    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.8716    2.0997    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    7.7784    4.1364    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    7.7784    2.9161    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.3976    6.3025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0676    5.3383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0676    1.7142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  CHG  7   5   1   7   1   8   4   9  -1  10  -1  11  -1  12  -1
M  END
>  <NSC>
603578

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Pt(a8) connected atoms =[ N N Cl Cl Cl Cl ]

>  <Molecular Formula in DIS>
C4H14Cl4N2PtSi

>  <Molecular Weight (nearest integer)>
455

>  <dtpname:Chemical Name>
Platinum, tetrachloro[dimethylsilylenebis(methanamine)]-, (OC-6-22)

$$$$
634503
  CML DOM 09261310252D

 29 31  0  0  0  0  0  0  0  0999 V2000
  -12.4413   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -6.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  3  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <NSC>
634503

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H19ClN2O3

>  <Molecular Weight (nearest integer)>
407

>  <dtpname:Chemical Name>
Acetamide, .alpha.-(2-chloro-1,4-dihydro- 1,4-dioxonaphthalen-3-yl)-.alpha.-cyano- N-(2,6-diethylphenyl)-

$$$$
637916
  CML DOM 09261310252D

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M  CHG  2  30   1  31  -1
M  END
>  <NSC>
637916

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H16ClN5O4

>  <Molecular Weight (nearest integer)>
450

$$$$
639828
  CML DOM 09261310252D

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M  END
>  <NSC>
639828

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
134742-26-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H13BrClN5O3

>  <Molecular Weight (nearest integer)>
463

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-639828

>  <dtpname:9th C.I.>
Benzamide, 2-amino-N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]- 3-chlorophenyl]amino]carbonyl]-

$$$$
648419
  CML DOM 09261310252D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
648419

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H22O6

>  <Molecular Weight (nearest integer)>
406

$$$$
659174
  CML DOM 09261310252D

 24 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
659174

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H6Cl2F10O3

>  <Molecular Weight (nearest integer)>
423

$$$$
673622
  CML DOM 09261310252D

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    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    9.9822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060   11.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2628   13.3831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3195   11.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6898   11.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 18  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 20 15  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 31  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
673622

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H27NO7

>  <Molecular Weight (nearest integer)>
429

>  <dtpname:Chemical Name>
2-Pyrrolidinecarboxlic acid, 1-[.alpha.-(4-methoxyphenyl)-.alpha.- (3,4,5-trimethoxyphenyl)methyl]-5-oxo-, methyl ester

$$$$
14975
  CML DOM 09261310252D

 39 43  0  0  0  0  0  0  0  0999 V2000
    4.6471    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0463    5.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7963    4.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222    7.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    6.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4904    6.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25  1  1  6  0  0  0
 16  2  1  6  0  0  0
 24  3  1  1  0  0  0
 13  4  1  0  0  0  0
  4 18  1  0  0  0  0
 15  5  1  1  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
 19  8  1  1  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 36  1  1  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  6  0  0  0
 13 16  1  0  0  0  0
 13 32  1  6  0  0  0
 14 15  1  0  0  0  0
 14 35  1  6  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  1  0  0  0
 17 24  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 20 33  1  1  0  0  0
 21 22  1  0  0  0  0
 21 30  1  1  0  0  0
 22 26  1  0  0  0  0
 22 29  1  6  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 31  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <NSC>
14975

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1448-23-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H36O10

>  <Molecular Weight (nearest integer)>
497

>  <dtpname:Chemical Name>
MK-53

>  <dtpname:Chemical Name>
Glaumeba

>  <dtpname:Chemical Name>
Glarubin

>  <dtpname:Chemical Name>
Glaucarubin

>  <dtpname:Chemical Name>
GLAUCARUBINE

>  <dtpname:Chemical Name>
Simarubaceae

>  <dtpname:Chemical Name>
.beta.-Kirondrin

>  <dtpname:Chemical Name>
.alpha.-Kirondrin

>  <dtpname:Chemical Name>
WLN: T C66665/BQ 3AAB S AX KOV RO FUTJ C1 DQ EQ G1 MOVXQ2&1 O1 PQ QQ

>  <dtpname:9th C.I.>
Picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, [1.beta.,2.alpha.,11.beta.,12.alpha.,15.beta.(S)]-

>  <dtpname:8th C.I.>
Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,2,3,3a.beta.,4,6a.beta.,7,7a.alpha.,10,11,11a,11b.alpha.-dodecahydro-1.alpha.,2.alpha.,4.beta.,10.alpha.,11.beta.-pentahydroxy-3.alpha.,8,11a.beta.-trimethyl-5H-1,11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5-one

$$$$
93419
  CML DOM 09261310252D

 41 45  0  0  0  0  0  0  0  0999 V2000
    2.0490    9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414   11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2176    8.7395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2534   10.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 33  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  2  0  0  0  0
 10 18  1  0  0  0  0
 10 11  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 36  1  0  0  0  0
 14 17  1  0  0  0  0
 14 35  1  0  0  0  0
 15 20  1  0  0  0  0
 15 18  2  0  0  0  0
 16 21  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 28  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 39  1  0  0  0  0
 30 40  1  0  0  0  0
 31 41  1  0  0  0  0
M  END
>  <NSC>
93419

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
11033-34-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H30O13

>  <Molecular Weight (nearest integer)>
575

>  <dtpname:Chemical Name>
U 20661

>  <dtpname:Chemical Name>
U-20,661

>  <dtpname:Chemical Name>
STEFFIMYCIN

>  <dtpname:Chemical Name>
Steffimycin

>  <dtpname:Chemical Name>
Antibiotic U 20661

>  <dtpname:Chemical Name>
Steffisburgensimycin

>  <dtpname:Chemical Name>
Steffisburgensimycin*

>  <dtpname:Chemical Name>
Streptomyces steffisburgensis var. steffisburgerensis sp.n. antibiotic

>  <dtpname:Chemical Name>
1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methylhexopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-

>  <dtpname:Chemical Name>
1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methylhexopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-

>  <dtpname:9th C.I.>
1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methyl-.alpha.-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-

>  <dtpname:9th C.I.>
1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2-O-methyl-.alpha.-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-

>  <dtpname:8th C.I.>
Steffimycin(USAN

$$$$
672425
  CML DOM 09261310252D

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.2852    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5843    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8833    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2852    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6871    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6872    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3881    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3881    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5843    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8833    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1824    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1823    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8833    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5843    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1823    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4910    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1919    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4910    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   10.2990    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  CHG  2  26   1  27  -1
M  END
>  <NSC>
672425

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14N2O4.HNO3

>  <Molecular Weight (nearest integer)>
397

>  <dtpname:Chemical Name>
1,2-Benzo-8-(L-alanyl)-3-phenoxazone nitrate salt

$$$$
56737
  CML DOM 09261310252D

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 15 16  2  0  0  0  0
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M  END
>  <NSC>
56737

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H26N4O4S

>  <Molecular Weight (nearest integer)>
443

>  <dtpname:Chemical Name>
Propionic acid, 2,2'-thiodi-, bis[(m-methoxybenzylidene)hydrazide]

>  <dtpname:Chemical Name>
Propanoic acid, 2,2'-thiobis-, bis[[(3-methoxyphenyl)methylene]hydrazide]

$$$$
638634
  CML DOM 09261310252D

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M  END
>  <NSC>
638634

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H23NO2

>  <Molecular Weight (nearest integer)>
406

>  <dtpname:Chemical Name>
4-Piperidinone, 3,5-bis(phenylmethylene)-1-(1-oxo-3-phenyl- 2-propenyl)-

$$$$
624206
  CML DOM 09261310252D

 24 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
624206

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H32ClNS2.ClH

>  <Molecular Weight (nearest integer)>
411

$$$$
640974
  CML DOM 09261310252D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <NSC>
640974

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H15FN2O5

>  <Molecular Weight (nearest integer)>
442

$$$$
650792
  CML DOM 09261310252D

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M  END
>  <NSC>
650792

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H27NO2S5

>  <Molecular Weight (nearest integer)>
438

>  <dtpname:Chemical Name>
1,4,7,10-Tetrathia-13-azacyclopentadecane, 13-[(4-methylphenyl)sulfonyl]-

$$$$
662825
  CML DOM 09261310252D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.8726    5.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    5.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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 10 12  1  0  0  0  0
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 12 15  1  0  0  0  0
M  END
>  <NSC>
662825

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
58086-84-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H15Br2Cl3

>  <Molecular Weight (nearest integer)>
401

>  <dtpname:Chemical Name>
HALOMON (RACEMIC)

>  <dtpname:Chemical Name>
6-Bromo-2,3,7-trichloro-3-(bromomethyl)-7-methyl-1-octene,(mixture of diastereoisomers)

$$$$
689228
  CML DOM 09261310252D

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    8.2672    4.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
M  END
>  <NSC>
689228

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H44O5Si

>  <Molecular Weight (nearest integer)>
429

>  <dtpname:Chemical Name>
Cyclopentanone, 3-[3-[(2-methoxyethoxy)methoxy]oct-1-enyl]- 4-[[dimethyl(1,1-dimethylethyl)silyl]oxy]-

$$$$
18298
  CML DOM 09261310252D

 39 46  0  0  0  0  0  0  0  0999 V2000
   -3.6451    3.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2960    2.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3228   -5.4677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9626   -0.1233    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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 29 38  1  0  0  0  0
 34 35  1  0  0  0  0
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M  CHG  5  10   1  14  -1  17   2  20  -1  21   1
M  END
>  <NSC>
18298

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - N(a14) connected atoms =[ C C Cu ]

>  <Molecular Formula in DIS>
C30H26CuN4O4.2H

>  <Molecular Weight (nearest integer)>
572

$$$$
96932
  CML DOM 09261310252D

 27 29  0  0  0  0  0  0  0  0999 V2000
   11.1209    3.3178    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END
>  <NSC>
96932

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3065-79-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H23N2S2.I

>  <Molecular Weight (nearest integer)>
506

>  <dtpname:Chemical Name>
3,3'-Diethyl-9-methylthiacarbocyanine iodide

>  <dtpname:Chemical Name>
Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methylpropenyl]-, iodide

>  <dtpname:Chemical Name>
Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)-2-methyl-1-propenyl]-,iodide

>  <dtpname:9th C.I.>
Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, iodide

$$$$
337766
  CML DOM 09261310252D

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 23 27  1  0  0  0  0
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 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
337766

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71439-68-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H22N8.2ClH

>  <Molecular Weight (nearest integer)>
471

>  <dtpname:USAN>
Bisantrene hydrochloride

>  <dtpname:Chemical Name>
CL 216942

>  <dtpname:Chemical Name>
NSC 337766

>  <dtpname:Chemical Name>
BISANTRENE HYDROCHLORIDE

>  <dtpname:Chemical Name>
9,10-Anthracenedicarboxaldehyde, bis[(4,5-dihydro-1H-imidazol-2-yl)hydrazone], dihydrochloride

>  <dtpname:9th C.I.>
9,10-Anthracenedicarboxaldehyde, bis(4,5-dihydro-1H-imidazol-2-ylhydrazone),dihydrochloride

$$$$
106997
  CML DOM 09261310252D

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M  END
>  <NSC>
106997

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H36N2O5.1/2H2O4S

>  <Molecular Weight (nearest integer)>
422

>  <dtpname:Chemical Name>
U 26146D

>  <dtpname:Chemical Name>
LIPOXAMYCIN

>  <dtpname:Chemical Name>
Lipoxamycin, sulfate (salt)

$$$$
682769
  CML DOM 09261310252D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 28 29  1  0  0  0  0
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 31 32  2  0  0  0  0
M  END
>  <NSC>
682769

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H22N2O3

>  <Molecular Weight (nearest integer)>
422

>  <dtpname:Chemical Name>
5H-Pyrido[3,2-d][2]benzazepin-6(7H)-one, 4-(3,4-dimethoxyphenyl)-2-phenyl-

$$$$
118030
  CML DOM 09261310252D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
118030

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17154-54-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H25NSn

>  <Molecular Weight (nearest integer)>
482

$$$$
641228
  CML DOM 09261310252D

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M  END
>  <NSC>
641228

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H18FNO5

>  <Molecular Weight (nearest integer)>
431

>  <dtpname:Chemical Name>
4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydroisobenzofuran-1-yl)-N-o-tolylbutanamide

$$$$
657298
  CML DOM 09261310252D

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M  END
>  <NSC>
657298

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H31NO2.ClH

>  <Molecular Weight (nearest integer)>
426

>  <dtpname:Chemical Name>
2-Propen-1-one, 1-[1-ethyl-4-hydroxy- 4-[2-(4-methylphenyl)ethenyl]-3-piperidinyl]- 3-(4-methylphenyl)-, hydrochloride

$$$$
664181
  CML DOM 09261310252D

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M  END
>  <NSC>
664181

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H8F12O3

>  <Molecular Weight (nearest integer)>
416

$$$$
689857
  CML DOM 09261310252D

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  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <NSC>
689857

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H29NO4

>  <Molecular Weight (nearest integer)>
408

>  <dtpname:Chemical Name>
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, 1-adamantanemethyl ester

$$$$
32992
  CML DOM 09261310252D

 39 42  0  0  0  0  0  0  0  0999 V2000
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   -0.9236  -11.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8129   -5.3768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148   -3.8768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 24  1  0  0  0  0
  3 20  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
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  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
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  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 14 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 33 34  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <NSC>
32992

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H33NO11

>  <Molecular Weight (nearest integer)>
548

>  <dtpname:Chemical Name>
COLCHICOSIDE

>  <dtpname:Chemical Name>
Colchicoside

>  <dtpname:Chemical Name>
Benzo[a]heptalen-9(5H)-one, 7-acetamido-1-(glucosyloxy)-6,7-dihydro-2,3,10-trimethoxy-

$$$$
102815
  CML DOM 09261310252D

 43 48  0  0  0  0  0  0  0  0999 V2000
    4.6471    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6375    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  1  1  1  0  0  0
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 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  2  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 27  2  0  0  0  0
 24 34  1  6  0  0  0
 25 33  1  0  0  0  0
 27 43  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 34 35  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <NSC>
102815

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H33NO12

>  <Molecular Weight (nearest integer)>
600

>  <dtpname:Chemical Name>
7-O-Methylnogalarol

>  <dtpname:Chemical Name>
7-o-Methylnogalarol

>  <dtpname:Chemical Name>
Daunomycin compound D

>  <dtpname:Chemical Name>
Nogalarol, 7-O-methyl-

>  <dtpname:Chemical Name>
Nogalamycin compound D

>  <dtpname:Chemical Name>
7-O-Methylepinogalarol

>  <dtpname:Chemical Name>
NOGALAROL, 7-O-METHYLEPI-

>  <dtpname:Chemical Name>
Compound D from Nogalamycin

>  <dtpname:Chemical Name>
Nogalamycin, transformation product, compound D

$$$$
647418
  CML DOM 09261310252D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.5492    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2502    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2502    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5492    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3434    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
647418

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H33N3O2.ClH

>  <Molecular Weight (nearest integer)>
456

$$$$
183359
  CML DOM 09261310252D

 23 24  0  0  0  0  0  0  0  0999 V2000
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   -3.8853   -6.1092    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3935   -5.9524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3445   -5.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2536   -5.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3445   -6.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2536   -6.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9546   -7.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8981   -8.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7834   -7.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5303   -9.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6486   -8.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2587   -7.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3771   -5.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6435   -4.6534    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9425   -3.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8935   -3.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8853   -4.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1843   -3.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1843   -2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4834   -1.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527   -7.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
183359

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H29NO2S2Sn

>  <Molecular Weight (nearest integer)>
462

>  <dtpname:Chemical Name>
1,3,2-Thiazastannolidine, 2,2-dibutyl-3-[(4-methylphenyl)sulfonyl]-

$$$$
10010
  CML DOM 09261310252D

 38 40  0  0  0  0  0  0  0  0999 V2000
   -1.3560   -3.9854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -19.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -1.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6816   -0.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069   -3.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -3.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0912   -1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0955   -5.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3517   -2.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8726   -5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2446   -6.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  1  5  1  0  0  0  0
  2 17  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
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  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
 12 13  2  0  0  0  0
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 15 16  2  0  0  0  0
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 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
 26 36  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <NSC>
10010

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6286-09-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C31H40N4O2.2ClH

>  <Molecular Weight (nearest integer)>
574

>  <dtpname:Chemical Name>
N,N-Bis(2-methyl-6-methoxy-4-quinaldyl)-1,9-diamino- nonane Dihydrochloride Hydrate

$$$$
14229
  CML DOM 09261310252D

 29 30  0  0  0  0  0  0  0  0999 V2000
  -12.7159   -2.5245    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197   -2.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8187   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.4168   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.7159    6.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0149    7.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 13  1  0  0  0  0
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  2 11  1  0  0  0  0
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  3 17  1  0  0  0  0
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  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <NSC>
14229

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
69-05-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H30ClN3O.2ClH

>  <Molecular Weight (nearest integer)>
473

>  <dtpname:USAN>
Quinacrine hydrochloride

>  <dtpname:INN:BAN>
Mepacrine

>  <dtpname:Brand Name>
Atabrine dihydrochloride

>  <dtpname:Chemical Name>
Acrichine

>  <dtpname:Chemical Name>
Quinacrine

>  <dtpname:Chemical Name>
Acriquine

>  <dtpname:Chemical Name>
Mepacrine HCl

>  <dtpname:Chemical Name>
Erion

>  <dtpname:Chemical Name>
SN 390

>  <dtpname:Chemical Name>
Mecryl

>  <dtpname:Chemical Name>
Atabrine

>  <dtpname:Chemical Name>
Palusan

>  <dtpname:Chemical Name>
Arichin

>  <dtpname:Chemical Name>
Metoquin

>  <dtpname:Chemical Name>
S.N. 390

>  <dtpname:Chemical Name>
Pentilen

>  <dtpname:Chemical Name>
Palacrin

>  <dtpname:Chemical Name>
866 R.P.

>  <dtpname:Chemical Name>
Atebrine

>  <dtpname:Chemical Name>
Italchin

>  <dtpname:Chemical Name>
Metochin

>  <dtpname:Chemical Name>
Metoquine

>  <dtpname:Chemical Name>
Crinodora

>  <dtpname:Chemical Name>
Chemiochin

>  <dtpname:Chemical Name>
Methoquine

>  <dtpname:Chemical Name>
Malaricida

>  <dtpname:Chemical Name>
Atebrin hydrochloride

>  <dtpname:Chemical Name>
Atabrine hydrochloride

>  <dtpname:Chemical Name>
Mepacrine hydrochloride

>  <dtpname:Chemical Name>
Chinacrin hydrochloride

>  <dtpname:Chemical Name>
Mepacrine dihydrochloride

>  <dtpname:Chemical Name>
Quinacrine dihydrochloride

>  <dtpname:Chemical Name>
Quinacrine dihydrochloride mustard

>  <dtpname:Chemical Name>
3-Chloro-7-methoxy-9-[1-methyl-4-(diethylamino)butylamino]acridine dihydrochloride

>  <dtpname:Chemical Name>
2-Methoxy-6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]acridine dihydrochloride

>  <dtpname:Chemical Name>
6-Chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxyacridine dihydrochloride

>  <dtpname:Chemical Name>
3-Chloro-9-[4'-(diethylamino)-1'-methylbutyl]amino]-7-methoxyacridine dihydrochloride

>  <dtpname:Chemical Name>
2-Chloro-5-[[.omega.-(diethylamino)-.alpha.-methylbutyl)amino]-7-methoxyacridine dihydrochloride

>  <dtpname:Chemical Name>
Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, dihydrochloride, dihydrate

>  <dtpname:Chemical Name>
WLN: T C666 BNJ EG IMY1&3N2&2 LO1 &GH 2

>  <dtpname:9th C.I.>
1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, dihydrochloride

>  <dtpname:8th C.I.>
Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, dihydrochloride

>  <dtpname:8th C.I.>
Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, dihydrochloride

$$$$
641253
  CML DOM 09261310252D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    0.3750   -2.1495    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 32  1  0  0  0  0
 26 27  1  0  0  0  0
 26 34  2  0  0  0  0
 27 28  1  0  0  0  0
 27 33  2  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <NSC>
641253

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H17ClN2O5

>  <Molecular Weight (nearest integer)>
473

$$$$
657446
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -3.6137   -0.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9127   -0.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2118   -0.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9127   -3.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6137   -2.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146   -3.2378    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -1.0156   -2.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2481   -6.9567    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -7.5108   -3.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6676   -4.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8811   -2.6277    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -9.8848   -3.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1348   -5.0415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2551   -3.1323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0983   -1.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6311   -1.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0210    0.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2131   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6396   -1.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7544   -0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1809   -0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4928   -2.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3781   -3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9515   -2.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8368   -3.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1487   -5.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  4   7   1   8  -1  10  -1  13   1
M  END
>  <NSC>
657446

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H13N2O4S2.Cl

>  <Molecular Weight (nearest integer)>
433

>  <dtpname:Chemical Name>
Thiazolo[2,3-b]thiazolium, 2,3-dihydro- 2-[(2-methoxyphenyl)methylene]- 5-(3-nitrophenyl)-3-oxo-, chloride

$$$$
668260
  CML DOM 09261310252D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.5358   -3.0401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367   -3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5486   -5.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0404   -5.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6505   -4.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5322   -2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9221   -1.4599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303   -1.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5486   -2.5166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7019    1.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0918    2.6510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1936    1.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8037   -0.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9495   -4.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2486   -4.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5476   -4.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5476   -6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2486   -7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9495   -6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8664   -3.1799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0753    2.3375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.8466   -7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1457   -6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4447   -7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4447   -8.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1457   -9.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8466   -8.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   -6.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8202    0.0672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3 28  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <NSC>
668260

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H17BrN2O4

>  <Molecular Weight (nearest integer)>
453

>  <dtpname:Chemical Name>
2-(5-Bromouracil-1-yl)-4-methylene-5-oxo-2-(p-phenylphenyl)-2,3,4,5-tetrhydrofuran

$$$$
693172
  CML DOM 09261310252D

 28 27  0  0  0  0  0  0  0  0999 V2000
    5.1697  -24.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6697  -24.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4132  -22.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6567  -21.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1567  -21.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4132  -22.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1567  -21.5241    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9132  -22.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9132  -22.7894    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4520  -20.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8615  -22.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3612  -12.3897    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.4003  -20.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1437  -18.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873  -17.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307  -16.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3742  -15.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1177  -13.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3612  -12.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047  -11.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3482   -9.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917   -8.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3352   -7.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0787   -5.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222   -4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0657   -3.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3092   -2.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0527   -0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  2   7   1  12  -1
M  END
>  <NSC>
693172

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H45FN.Cl

>  <Molecular Weight (nearest integer)>
414

$$$$
34391
  CML DOM 09261310252D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.7514    9.7500    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    2.8543   12.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533   14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533   12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4523   15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4523   12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514   14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514   12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4523   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4523    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7514    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4523    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4523    3.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4523    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552   14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 27  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
  9 21  2  0  0  0  0
 10 11  2  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 18  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 19  1  0  0  0  0
 17 24  2  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  2   1  -1  24   1
M  END
>  <NSC>
34391

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4727-50-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H25N2.I

>  <Molecular Weight (nearest integer)>
480

>  <dtpname:Chemical Name>
Cryptocyanin

>  <dtpname:Chemical Name>
Kryptocyanin

>  <dtpname:Chemical Name>
Eastman 1334

>  <dtpname:Chemical Name>
Kryptocyanine

>  <dtpname:Chemical Name>
Cryptocyanine

>  <dtpname:Chemical Name>
Kryptocyanine iodide

>  <dtpname:Chemical Name>
Cryptocyanine O.A. 2

>  <dtpname:Chemical Name>
Cryptocyanine iodide

>  <dtpname:Chemical Name>
1,1'-DIETHYL-4,4'-CARBOCYANINE IODIDE

>  <dtpname:Chemical Name>
1,1'-Diethyl-4,4'-carbocyanine iodide

>  <dtpname:Chemical Name>
1,1'-Diethylquino-(4)-carbocyanine iodide

>  <dtpname:Chemical Name>
1,1'-Diethyl-4,4'-quinocarbocyanine iodide

>  <dtpname:9th C.I.>
Quinolinium, 1-ethyl-4-[3-(1-ethyl-4(1H)-quinolinylidene)-1-propenyl]-, iodide

>  <dtpname:8th C.I.>
Quinolinium, 1-ethyl-4-[3-(1-ethyl-4(1H)-quinolylidene)propenyl]-, iodide

>  <dtpname:VAN>
NK 5

>  <dtpname:VAN>
NK 5 (dye)

$$$$
126728
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M  END
>  <NSC>
126728

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3148-09-2

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for CH4 in C27H34O9

>  <Molecular Formula in DIS>
C27H34O9

>  <Molecular Weight (nearest integer)>
503

>  <dtpname:Chemical Name>
379Y

>  <dtpname:Chemical Name>
Ver A

>  <dtpname:Chemical Name>
VERRUCARIN A

>  <dtpname:Chemical Name>
MUCONOMYCIN A

>  <dtpname:Chemical Name>
MUCONOMYCIN A

>  <dtpname:Chemical Name>
Muconomycin A

>  <dtpname:Chemical Name>
Antibiotic 379Y

>  <dtpname:Chemical Name>
Spiro(16,18-methano-1H,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17(18H),2'-oxirane)-3,9,14-trione, 4,5,6,7,16,16a,19a,22-octahydro-4-hydroxy-5,16a,21-trimethyl-, stereoisomer

>  <dtpname:Chemical Name>
Spiro(16,18-methano-1H,3H,23H-[1,6,12]trioxacyclooctadecino[3,4-d](1)benzopyran-17(18H),2'-oxirane)-3,9,14-trione, 4,5,6,7,16,16a,19a,22-octahydro-4-hydroxy-5,16a,21-trimethyl-, stereoisomer

>  <dtpname:Chemical Name>
WLN: T B-18-56 C6 A 2BC D& AX CX EOV KOV QVO VO MU OU A&UTJ B1 GQH1 B&1 A-& BT3OX CHJ

>  <dtpname:9th C.I.>
Verrucarin A

>  <dtpname:8th C.I.>
Verrucarin A

$$$$
164909
  CML DOM 09261310252D

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M  END
>  <NSC>
164909

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10113-31-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H24O2Sn

>  <Molecular Weight (nearest integer)>
451

>  <dtpname:Chemical Name>
Tribenzyltin acetate

>  <dtpname:9th C.I.>
Stannane, (acetyloxy)tris(phenylmethyl)-

>  <dtpname:8th C.I.>
Stannane, acetoxytribenzyl-

$$$$
211489
  CML DOM 09261310252D

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M  END
>  <NSC>
211489

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H20O7

>  <Molecular Weight (nearest integer)>
456

$$$$
139490
  CML DOM 09261310252D

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   20.2356    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5346    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5346    9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5346   11.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8336    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    9.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    9.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  2  0  0  0  0
 31 28  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
  9  8  1  0  0  0  0
 14 12  2  0  0  0  0
 22 21  1  0  0  0  0
 34 35  1  0  0  0  0
 31 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 15 39  1  0  0  0  0
 11 40  1  0  0  0  0
  9 41  1  0  0  0  0
M  END
>  <NSC>
139490

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
52386-42-2

>  <Structure Evaluation>
Inconsistent with Molecular Formula - no structure mapped to Na from C21H27N7O6.2Na

>  <Molecular Formula in DIS>
C21H27N7O6.2Na

>  <Molecular Weight (nearest integer)>
519

>  <dtpname:Chemical Name>
MTHHF

>  <dtpname:Chemical Name>
NSC 139490

>  <dtpname:Chemical Name>
Emfolin sodium

>  <dtpname:Chemical Name>
MeTHHF disodium

>  <dtpname:Chemical Name>
Methyltetrahydrohomofolate

>  <dtpname:Chemical Name>
5-Methyltetrahydrohomofolic acid, disodium salt

>  <dtpname:Chemical Name>
5-Methyl-tetrahydrohomofolic acid, disodium salt

>  <dtpname:Chemical Name>
Homofolic acid, 5,6,7,8-tetrahydro-5-methyl-, sodium salt

>  <dtpname:Chemical Name>
Glutamic acid, N-[p-[[2-(2-amino-5,6,7,8-tetrahydro- 4-hydroxy-5-methyl-6-pteridinyl)ethyl]amino]benzoyl]-, L-

>  <dtpname:Chemical Name>
L-Glutamic acid, N-[4-[[2-(2-amino-1,4,5,6,7,8-hexahydro- 5-methyl-4-oxo-6-pteridinyl)ethyl]amino]benzoyl]-, disodium salt

$$$$
90487
  CML DOM 09261310252D

 35 39  0  0  0  0  0  0  0  0999 V2000
    3.6324    1.3151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7343    2.8422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9381    5.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2097    3.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7015    5.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1281    5.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1281    3.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8198    4.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7015    3.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3280    4.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4463    5.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9546    5.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0914    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7179    3.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3444    4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5996    1.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2261    2.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    4.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9710    5.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    5.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6160    1.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2425    2.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8691    3.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1242    1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7508    2.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773    3.5853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4026    1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1642    1.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4628    5.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7707    7.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8362    4.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1078    1.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2380    7.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417    8.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1650    4.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22  1  1  6  0  0  0
 15  2  1  6  0  0  0
 10  3  1  1  0  0  0
  8  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 33  1  6  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 35  1  1  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  6  0  0  0
 15 18  1  0  0  0  0
 15 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  1  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  1  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  1  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 30 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <NSC>
90487

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
545-47-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H50O

>  <Molecular Weight (nearest integer)>
427

>  <dtpname:Chemical Name>
LUPEOL

>  <dtpname:Chemical Name>
Lupeol

>  <dtpname:Chemical Name>
Lupenol

>  <dtpname:Chemical Name>
Clerodol

>  <dtpname:Chemical Name>
Fagarsterol

>  <dtpname:Chemical Name>
Monogynol B

>  <dtpname:Chemical Name>
Fagarasterol

>  <dtpname:Chemical Name>
.beta.-Viscol

>  <dtpname:Chemical Name>
Triterpene lupeol

>  <dtpname:9th C.I.>
Lup-20(29)-en-3-ol, (3.beta.)-

>  <dtpname:8th C.I.>
Lup-20(29)-en-3.beta.-ol

$$$$
641607
  CML DOM 09261310252D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.1453    7.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3219    7.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256    6.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8620    5.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6052    4.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6089    5.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    5.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8224    3.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9371    2.7774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552    3.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2782    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2782    7.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    8.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792    9.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2782   10.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5773    9.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5773    8.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2782   12.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5773   12.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5773    5.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5773    3.7729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8763    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8763    7.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1753    5.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4744    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4744    7.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1753    8.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7734    8.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0725    7.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2782    3.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 30  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <NSC>
641607

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H21NO5

>  <Molecular Weight (nearest integer)>
403

$$$$
657598
  CML DOM 09261310252D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -7.3095   -3.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5595   -5.2582    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.1892   -5.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3460   -7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8132   -7.6720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5632   -6.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9335   -5.7628    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7767   -4.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6994   -2.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8915   -3.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3181   -3.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6299   -5.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0565   -5.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1712   -4.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8594   -3.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4328   -2.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5978   -5.1215    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  -16.7125   -4.1178    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -15.9097   -6.5887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8902   -5.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911   -5.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2921   -5.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2921   -3.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911   -2.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8902   -3.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911   -1.3683    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.8902   -0.6183    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2921   -0.6183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4527   -8.9028    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  CHG  6   2   1  17   1  18  -1  26   1  27  -1  29  -1
M  END
>  <NSC>
657598

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H10N3O5S2.Cl

>  <Molecular Weight (nearest integer)>
448

>  <dtpname:Chemical Name>
Thiazolo[2,3-b]thiazolium, 2,3-dihydro- 2-[(4-nitrophenyl)methylene]- 5-(3-nitrophenyl)-3-oxo-, chloride

$$$$
670224
  CML DOM 09261310252D

 26 26  0  0  0  0  0  0  0  0999 V2000
    4.5000    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1653    5.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6621    9.0372    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0490    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7886    0.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9376   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3472   -0.4284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6076    1.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4962   -1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6425    5.6972    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1250    7.6471    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <NSC>
670224

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H33Cl2NO.ClH

>  <Molecular Weight (nearest integer)>
423

>  <dtpname:Chemical Name>
2-((1-(2,4-Dichlorophenylmethyl)4-tert.butylcyclohexyl)oxy)N,N-dimethyl-1-ethanamine-, hydrochloride salt

$$$$
697443
  CML DOM 09261310252D

 30 31  0  0  0  0  0  0  0  0999 V2000
  -17.1495    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8995    4.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1495    2.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  2  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <NSC>
697443

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H27NO3.HCl

>  <Molecular Weight (nearest integer)>
426

$$$$
36354
  CML DOM 09261310252D

 38 39  0  0  0  0  0  0  0  0999 V2000
   17.3695   -3.1809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8237    8.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3904    7.9052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2659    6.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7080    5.4807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3829    2.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8453    2.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4961    1.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 18  2  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
M  END
>  <NSC>
36354

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
49720-72-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H23NO5.C4H6O6

>  <Molecular Weight (nearest integer)>
507

>  <dtpname:Chemical Name>
TMCA

>  <dtpname:Chemical Name>
TMCA

>  <dtpname:Chemical Name>
SKF 250

>  <dtpname:Chemical Name>
NCI 1136

>  <dtpname:Chemical Name>
TRIMETHYLCOLCHICINIC ACID

>  <dtpname:Chemical Name>
Desacetylcolchicine D-tartrate

>  <dtpname:Chemical Name>
Desacetylcolchicine d-tartrate

>  <dtpname:Chemical Name>
Colchicine, deacetyl-, L-tartrate

>  <dtpname:Chemical Name>
COLCHICINE, N-DEACETYL-,L-TARTRATE(1:1), HYDRATE

>  <dtpname:Chemical Name>
Trimethylcolchicinic acid, methyl ether, L-tartrate

>  <dtpname:Chemical Name>
Benzo[a]heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3,10-tetramethoxy-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

>  <dtpname:9th C.I.>
Benzo[a]heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3,10-tetramethoxy-, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)

>  <dtpname:9th C.I.>
Benzo[a]heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3,10-tetramethoxy-, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)

$$$$
129414
  CML DOM 09261310252D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <NSC>
129414

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14358-43-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H38N2O4.2ClH

>  <Molecular Weight (nearest integer)>
552

>  <dtpname:Chemical Name>
DEHYDROEMETINE

>  <dtpname:Chemical Name>
Emetine, dehydro-

>  <dtpname:Chemical Name>
(+-)-2,3-Dehydroemetine dihydrochloride

>  <dtpname:Chemical Name>
(.+-.)-2,3-Dehydroemetine dihydrochloride

>  <dtpname:Chemical Name>
2,3-Didehydroemetine dihydrochloride (.+-.)-

>  <dtpname:Chemical Name>
Emetine, 2,3-didehydro-, dihydrochloride (.+-.)-

>  <dtpname:Chemical Name>
2H-Benzo[a]quinolizine, 1,4,6,7,11b-pentahydro-9,10-dimethoxy-3-ethyl-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolyl)methyl]-, dihydrochloride, (+-)-

>  <dtpname:Chemical Name>
WLN: T B666 GN DUTT&J E2 LO1 MO1 D1- BT66 CMT&J HO1 IO1 &GH 2

>  <dtpname:9th C.I.>
Emetan, 2,3-didehydro-6',7',10,11-tetramethoxy-, dihydrochloride, (+-)-

>  <dtpname:9th C.I.>
Emetan, 2,3-didehydro-6',7',10,11-tetramethoxy-, dihydrochloride, (.+-.)-

>  <dtpname:8th C.I.>
Emetine, 2,3-didehydro-, dihydrochloride, (+-)-

>  <dtpname:8th C.I.>
Emetine, 2,3-didehydro-, dihydrochloride, (.+-.)-

>  <dtpname:French Name>
(+-)-Dehydro-2,3-emetine 2 HCl

$$$$
637993
  CML DOM 09261310252D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9079    3.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4079    3.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -1.9754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9948    5.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -0.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -2.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -2.7254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3140   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130   -2.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -4.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3140   -4.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9672    4.2279    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
637993

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H26N4O2.2ClH

>  <Molecular Weight (nearest integer)>
451

>  <dtpname:Chemical Name>
6H-Imidazo[4,5,1-de]acridin-6-one, 5-[2-(diethylamino) ethylamino]-8-methoxy-1-methyl-, dihydrochloride

$$$$
605583
  CML DOM 09261310252D

 27 26  0  0  0  0  0  0  0  0999 V2000
    2.8659    1.2998    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.1988   -0.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5331    2.6433    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2094    0.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    1.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7347    1.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0872   -0.2148    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6292   -0.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4397   -1.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5452    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5225    1.9669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730    1.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9343    2.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1838    1.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3910    2.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7656    1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9330   -0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7258   -0.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9127    0.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8784   -0.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3021   -1.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0949   -2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7203   -2.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6860   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -2.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440   -1.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3512   -0.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
>  <NSC>
605583

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H46NO4P

>  <Molecular Weight (nearest integer)>
408

>  <dtpname:Chemical Name>
Miltefosin C

>  <dtpname:Chemical Name>
Choline, hexadecyl hydrogen phosphate, inner salt

>  <dtpname:Chemical Name>
3,5-Dioxa-4-phosphaunacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide

$$$$
48151
  CML DOM 09261310252D

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7674   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3164  -10.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3654   -9.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8164   -7.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -3.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <NSC>
48151

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4660-54-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H41NO2

>  <Molecular Weight (nearest integer)>
424

$$$$
282880
  CML DOM 09261310252D

 29 28  0  0  0  0  0  0  0  0999 V2000
   -4.9486   -4.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986   -2.7721    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4976   -2.0221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8995   -3.5221    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4486   -1.4731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4486    1.1250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.4486   -4.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1986   -2.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6986   -2.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4486   -1.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9486   -1.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6986   -0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1986   -0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9486   -1.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4486   -1.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1986   -2.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6986   -2.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4486   -1.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9486   -1.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.6986   -0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.1986   -0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.9486   -1.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.4486   -1.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.1986   -2.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986   -0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6986   -0.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9486    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6986    2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1986    2.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  2  4  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END
>  <NSC>
282880

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65956-63-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H50NO4P

>  <Molecular Weight (nearest integer)>
436

>  <dtpname:Chemical Name>
D 19391

>  <dtpname:Chemical Name>
Octadecylphosphocholine

>  <dtpname:Chemical Name>
Octadecylphosphorylcholine

>  <dtpname:9th C.I.>
Ethanaminium, 2-[[hydroxy(octadecyloxy)phosphinyl]oxy]-N,N,N-trimethyl-, inner salt

$$$$
642048
  CML DOM 09261310252D

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M  END
>  <NSC>
642048

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H25N3O3S2

>  <Molecular Weight (nearest integer)>
432

$$$$
657603
  CML DOM 09261310252D

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M  CHG  4  10   1  20   1  21  -1  27  -1
M  END
>  <NSC>
657603

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H16N3O3S.Br

>  <Molecular Weight (nearest integer)>
446

$$$$
670225
  CML DOM 09261310252D

 32 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
670225

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H37NO.C4H4O4

>  <Molecular Weight (nearest integer)>
448

>  <dtpname:Chemical Name>
cis-2((1-(4-methyl-phenyl)methyl)-4-tert.butylcyclohexyl)oxyN,N-dimethyl-1-ethanamine-,salt with fumaric acid

$$$$
698031
  CML DOM 09261310252D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
698031

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H22N6O2S

>  <Molecular Weight (nearest integer)>
459

$$$$
45383
  CML DOM 09261310252D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   10.0173   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   10.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   14.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   13.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   14.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  1 15  1  0  0  0  0
  2 16  2  0  0  0  0
  2  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 35  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 17 23  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 29  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 31  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <NSC>
45383

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3930-19-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H22N4O8

>  <Molecular Weight (nearest integer)>
506

>  <dtpname:USAN>
Streptonigrin

>  <dtpname:Chemical Name>
STP

>  <dtpname:Chemical Name>
Nigrin

>  <dtpname:Chemical Name>
NSC 45383

>  <dtpname:Chemical Name>
NSC-45383

>  <dtpname:Chemical Name>
5278 R. P.

>  <dtpname:Chemical Name>
AO50165L302

>  <dtpname:Chemical Name>
Bruneomycin

>  <dtpname:Chemical Name>
A 050165L302

>  <dtpname:Chemical Name>
STREPTONIGRIN

>  <dtpname:Chemical Name>
STREPTONIGRIN

>  <dtpname:Chemical Name>
Streptonigran

>  <dtpname:Chemical Name>
STREPTONIGRIN

>  <dtpname:Chemical Name>
Rufocromomycin

>  <dtpname:Chemical Name>
Rufochromomycin

>  <dtpname:Chemical Name>
Abbott Crystalline antibiotic

>  <dtpname:Chemical Name>
Antibiotic from Streptomyces flocculus

>  <dtpname:Chemical Name>
5-Amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acid

>  <dtpname:Chemical Name>
Picolinic acid, 5-amino-6-(6-amino-5,8-dihydro-7-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:Chemical Name>
WLN: T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVQ

>  <dtpname:9th C.I.>
2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:8th C.I.>
Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:VAN>
SN

$$$$
132791
  CML DOM 09261310252D

 39 43  0  0  0  0  0  0  0  0999 V2000
    0.7500    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3727    7.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7009    4.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4911    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2914    4.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0309    2.8086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1879    6.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6651    5.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500    3.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2595    4.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
 24  2  1  6  0  0  0
 15  3  1  6  0  0  0
 23  4  1  1  0  0  0
 13  5  1  0  0  0  0
  5 18  1  0  0  0  0
 14  6  1  1  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
 16  8  1  1  0  0  0
  8 34  1  0  0  0  0
  9 22  2  0  0  0  0
 10 34  1  0  0  0  0
 10 36  1  1  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  6  0  0  0
 12 14  1  0  0  0  0
 12 33  1  6  0  0  0
 13 15  1  0  0  0  0
 13 30  1  1  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  1  0  0  0
 17 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 19 31  1  1  0  0  0
 20 21  1  0  0  0  0
 20 28  1  1  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 29  1  0  0  0  0
 34 35  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <NSC>
132791

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1259-86-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H34O10

>  <Molecular Weight (nearest integer)>
495

>  <dtpname:Chemical Name>
NSC 277286

>  <dtpname:Chemical Name>
GLAUCARUBINONE

>  <dtpname:Chemical Name>
Glaucarubinone

>  <dtpname:Chemical Name>
Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3ab,4,7,7aa,11,11a,11ba-octahydro-1a,2a,4b,11b-tetrahydroxy-3a,8,11ab-trimethyl-2H-1,11cb-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6abH)-dione

>  <dtpname:9th C.I.>
Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, [1.beta.,11.beta.,12.alpha.,15.beta.(S)]-

>  <dtpname:8th C.I.>
Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-octahydro-1.alpha.,2.alpha.,4.beta.,11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-2H-1,11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6a.beta.H)-dione

>  <dtpname:8th C.I.>
Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-octahydro-1.alpha.,2.alpha.,4.beta.,11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-2H-1,11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6a.beta.H)-dione

$$$$
534
  CML DOM 09261310252D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.5615    6.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625    6.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8606    6.8971    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    3.9635    6.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625    8.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1596    6.1471    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    5.8115    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3115    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0615    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0615    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0615    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0615    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8115    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5615    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5615    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3115    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5615    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5615    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3115    2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 12  2  0  0  0  0
 19 14  2  0  0  0  0
 20 17  2  0  0  0  0
 16 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <NSC>
534

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Missing or invalid elementType for atom : a6 .. Du

>  <Molecular Formula in DIS>
C16H12HgO2

>  <Molecular Weight (nearest integer)>
437

>  <dtpname:Chemical Name>
ACETOXYPHENANTHRYLMERCURY

$$$$
622586
  CML DOM 09261310252D

 25 26  0  0  0  0  0  0  0  0999 V2000
  -12.5177   -0.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3994    1.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1278   -1.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0259    0.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4158    1.4472    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1442   -1.1367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6525   -0.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6488   -2.0946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2784   -1.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4352    0.0073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9025    0.3192    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9606   -3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3872   -4.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6991   -5.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5843   -6.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8962   -7.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3228   -8.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1578   -6.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8459   -4.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9794   -2.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6804   -1.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6804    0.0155    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3813   -2.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3813   -3.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0823   -1.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <NSC>
622586

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H19N5OS4

>  <Molecular Weight (nearest integer)>
414

$$$$
84074
  CML DOM 09261310252D

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    3.9708    6.6227    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
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M  CHG  2   1  -1   2   1
M  END
>  <NSC>
84074

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3607-17-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21BrP.Br

>  <Molecular Weight (nearest integer)>
464

>  <dtpname:Chemical Name>
Phosphonium, (3-bromopropyl)triphenyl- bromide

$$$$
311153
  CML DOM 09261310252D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.1521   10.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2705    8.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1758   10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242    2.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2232    2.1496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749    2.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
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M  CHG  2  18   1  25  -1
M  END
>  <NSC>
311153

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
81531-60-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H28N3O.C2H3O2

>  <Molecular Weight (nearest integer)>
434

>  <dtpname:Chemical Name>
9-Hydroxy-2-(2-piperidinylethyl)ellipticinium acetate

>  <dtpname:Chemical Name>
6H-Pyrido[4,3-b]carbazolium, 9-hydroxy-5,11-dimethyl-2-[2-(1-piperidinyl)ethyl]-, acetate

$$$$
643148
  CML DOM 09261310252D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   7   1   8  -1
M  END
>  <NSC>
643148

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H15NO6

>  <Molecular Weight (nearest integer)>
425

$$$$
658293
  CML DOM 09261310252D

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M  CHG  4   9   1  22   1  23  -1  25  -1
M  END
>  <NSC>
658293

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H13N2O5S2.Cl

>  <Molecular Weight (nearest integer)>
413

$$$$
670226
  CML DOM 09261310252D

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   12.6152   -4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3652   -5.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6152   -6.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1336    0.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3941    1.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6108    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6564    0.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8652   -5.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9427   -4.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6822   -6.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2727   -6.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1236   -5.6103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7140   -6.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3841   -4.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8652   -5.4807    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8045    4.7104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3176    3.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3534    2.1518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7948    3.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3078    1.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7850    1.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7492    2.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2981   -0.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
 18  5  1  6  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <NSC>
670226

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H34FNO.C4H4O4

>  <Molecular Weight (nearest integer)>
452

>  <dtpname:Chemical Name>
trans-2((1-(4-fluorphenyl-methyl)-4-tert.butylcyclohexyl)oxy)N,N-dimethyl-1-ethanamine-, salt with fumaric acid

$$$$
7521
  CML DOM 09261310252D

 41 46  0  0  0  0  0  0  0  0999 V2000
   -4.9286    6.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295    8.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666   10.4615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657   12.7115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827   17.7132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7543   20.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8903   14.6751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3644   18.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8562   18.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4663   17.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846   16.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929   16.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5913   13.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1647   13.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657   14.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666   13.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1647   11.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666   11.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657   11.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676   11.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314   11.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305   11.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657    9.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676    9.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305    9.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666    8.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314    8.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295    7.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305    6.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3305    5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9286    5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295    4.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295    2.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314    4.4615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6295    5.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314    7.4615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676   12.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215   10.4697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0601   14.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5913   11.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730   12.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  1 31  1  0  0  0  0
 25  2  1  1  0  0  0
  2 28  1  0  0  0  0
 18  3  1  6  0  0  0
 19  4  1  1  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
 13  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 39  1  1  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  1  0  0  0
 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 37  1  1  0  0  0
 21 22  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 36  1  0  0  0  0
 30 32  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <NSC>
7521

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
466-06-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H42O8

>  <Molecular Weight (nearest integer)>
531

>  <dtpname:USAN>
Proscillaridin

>  <dtpname:Chemical Name>
2936

>  <dtpname:Chemical Name>
Simeon

>  <dtpname:Chemical Name>
Urgilan

>  <dtpname:Chemical Name>
Cardion

>  <dtpname:Chemical Name>
Coratol

>  <dtpname:Chemical Name>
Talusin

>  <dtpname:Chemical Name>
A-32686

>  <dtpname:Chemical Name>
PSC-801

>  <dtpname:Chemical Name>
Proszin

>  <dtpname:Chemical Name>
Caradrin

>  <dtpname:Chemical Name>
Procilan

>  <dtpname:Chemical Name>
Tradenal

>  <dtpname:Chemical Name>
Wirnesin

>  <dtpname:Chemical Name>
Carmazon

>  <dtpname:Chemical Name>
Protasin

>  <dtpname:Chemical Name>
Procardin

>  <dtpname:Chemical Name>
Stellarid

>  <dtpname:Chemical Name>
Solestril

>  <dtpname:Chemical Name>
Prostosin

>  <dtpname:Chemical Name>
Caradrine

>  <dtpname:Chemical Name>
Proscillan

>  <dtpname:Chemical Name>
Cardiovite

>  <dtpname:Chemical Name>
Proslladin

>  <dtpname:Chemical Name>
Purosin-TC

>  <dtpname:Chemical Name>
Sandoscill

>  <dtpname:Chemical Name>
Scillacrist

>  <dtpname:Chemical Name>
Proscillaridine

>  <dtpname:Chemical Name>
Proscillaridin-A

>  <dtpname:Chemical Name>
PROSCILLARIDIN A

>  <dtpname:Chemical Name>
Herzo Proscillan

>  <dtpname:Chemical Name>
PROSCILLARIDIN A

>  <dtpname:Chemical Name>
Desglucotransvaaline

>  <dtpname:Chemical Name>
Transvaalin, degluco-

>  <dtpname:Chemical Name>
Scillarenin 3.beta.-rhamnoside

>  <dtpname:Chemical Name>
Scillarenin, 3.alpha.-L-rhamnopyranoside

>  <dtpname:Chemical Name>
Rhamnopyranoside, scillarenin-3, .alpha.-L-

>  <dtpname:Chemical Name>
14-Hydroxy-3.beta.-(rhamnosyloxy)bufa-4,20,22-trienolide

>  <dtpname:Chemical Name>
3.beta.-Rhamnosido-14.beta.-hydroxy-.delta.(sup 4,20,22)-bufatrienolide

>  <dtpname:Chemical Name>
[(6-Deoxy-.alpha.-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide

>  <dtpname:Chemical Name>
Bufa-4,20,22-trienolide, 3.beta.-[(16-deoxy-.alpha.-L-mannosyl)oxy]-14-hydroxy-

>  <dtpname:Chemical Name>
Desgluco-transvaalin3.beta.,14.beta.-dihydroxybufa-4,20,22-trienolide 3-rhamnoside

>  <dtpname:Chemical Name>
Bufa-4,20,22-trienolide, 3.beta.-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-14-hydroxy-

>  <dtpname:Chemical Name>
WLN: L E5 B666 MUTJ A1 E1 IQ F- ET6OVJ& O- BT6OTJ CQ DQ EQ F1

>  <dtpname:9th C.I.>
Bufa-4,20,22-trienolide, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-14-hydroxy-, (3.beta.)-

>  <dtpname:8th C.I.>
Proscillaridin A

$$$$
56817
  CML DOM 09261310252D

 38 41  0  0  0  0  0  0  0  0999 V2000
   -6.1202  -13.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -9.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8212   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0173  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183  -11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3163  -11.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183  -13.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3163   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6154   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3163   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202  -11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8211   -9.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1202   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221   -8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -7.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  2  0  0  0  0
  2 33  2  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  4  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  2  0  0  0  0
  7 10  1  0  0  0  0
  7 31  1  0  0  0  0
  8 11  2  0  0  0  0
  8 38  1  0  0  0  0
  9 12  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 33  1  0  0  0  0
 12 32  1  0  0  0  0
 13 21  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 29  1  0  0  0  0
 22 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <NSC>
56817

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
303-45-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H30O8

>  <Molecular Weight (nearest integer)>
519

>  <dtpname:Chemical Name>
(+/-)-Gossypol

>  <dtpname:Chemical Name>
8-Formyl-1,6,7-trihydroxy-5-isopropyl-3-methyl-2,2'-bisnaphthalene

>  <dtpname:Chemical Name>
(2,2'-Binaphthalene)-8,8'-dicarboxaldehyde, 1,1',6,6'7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-

>  <dtpname:9th C.I.>
[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-

>  <dtpname:9th C.I.>
[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)-

>  <dtpname:8th C.I.>
[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-

>  <dtpname:8th C.I.>
[2,2'-Binaphthalene]-8,8'-dicarboxaldehyde, 1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-

$$$$
133071
  CML DOM 09261310252D

 34 35  0  0  0  0  0  0  0  0999 V2000
   -3.4438   10.3543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1447    3.6043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5 14  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
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 27 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <NSC>
133071

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24ClN5O2.C2H6O3S

>  <Molecular Weight (nearest integer)>
512

>  <dtpname:Chemical Name>
Ethanesulfonic acid, compd. with 4,6-diamino-1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-1,2-dihydro-2,2-dimethyl-s-triazine (1:1)

>  <dtpname:Chemical Name>
Ethanesulfonic acid, compd. with 1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamine (1:1)

$$$$
4644
  CML DOM 09261310252D

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M  END
>  <NSC>
4644

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
473-98-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H50O2

>  <Molecular Weight (nearest integer)>
443

>  <dtpname:Chemical Name>
Betulol

>  <dtpname:Chemical Name>
Trochol

>  <dtpname:Chemical Name>
BETULIN

>  <dtpname:Chemical Name>
Betulin

>  <dtpname:Chemical Name>
Betuline

>  <dtpname:Chemical Name>
Betulinol

>  <dtpname:Chemical Name>
Lup-20(30)-ene-3.beta.,28-diol

>  <dtpname:9th C.I.>
Lup-20(29)-ene-3,28-diol, (3.beta.)-

>  <dtpname:8th C.I.>
Lup-20(29)-ene-3.beta.,28-diol

$$$$
622589
  CML DOM 09261310252D

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M  END
>  <NSC>
622589

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H17N5O2S4

>  <Molecular Weight (nearest integer)>
428

$$$$
90829
  CML DOM 09261310252D

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 11 13  1  0  0  0  0
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 18 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
90829

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H40N2O.2ClH

>  <Molecular Weight (nearest integer)>
409

$$$$
643351
  CML DOM 09261310252D

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  -12.1075    2.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2704    1.2408    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  -15.0299   -4.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5299   -4.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7799   -6.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5299   -7.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7799   -3.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5299   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7799   -0.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1682    0.4643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3310   -0.5963    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  -11.7193    0.8525    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
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 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
M  CHG  3  14  -1  28  -1  29   2
M  END
>  <NSC>
643351

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - O(a13) connected atoms =[ C Cu ]

>  <Molecular Formula in DIS>
C22H24CuN2O4

>  <Molecular Weight (nearest integer)>
444

>  <dtpname:Chemical Name>
p-Dimethylaminocinnamic acid, copper complex

$$$$
643599
  CML DOM 09261310252D

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.5221   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9241   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9241   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   14.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5221    7.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7183    5.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  3  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <NSC>
643599

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H23N3O3S

>  <Molecular Weight (nearest integer)>
434

$$$$
658494
  CML DOM 09261310252D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.8020  -10.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138   -9.3835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1852   -8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2999   -9.6372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6898  -11.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1898  -11.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7123   -6.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9398   -9.7085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
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  4 32  1  0  0  0  0
  5  8  2  0  0  0  0
  6 28  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <NSC>
658494

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H16ClN3O5

>  <Molecular Weight (nearest integer)>
450

$$$$
670229
  CML DOM 09261310252D

 32 32  0  0  0  0  0  0  0  0999 V2000
   -1.2824    1.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9982   -0.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  5  1  6  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 24  1  0  0  0  0
 13 14  1  0  0  0  0
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 13 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 25 26  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <NSC>
670229

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H37NO.C4H4O4

>  <Molecular Weight (nearest integer)>
448

>  <dtpname:Chemical Name>
Ethanamine, N,N-dimethyl-2-[4-(1,1-dimethylethyl)- 1-[(4-methylphenyl)methyl]cyclohexyloxy]-, (trans)-, (E)-2-butenedioate (fumaric acid) (1:1)

$$$$
7522
  CML DOM 09261310252D

 42 47  0  0  0  0  0  0  0  0999 V2000
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 39 40  2  0  0  0  0
M  END
>  <NSC>
7522

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
508-77-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H44O9

>  <Molecular Weight (nearest integer)>
549

>  <dtpname:Chemical Name>
CYMARIN

>  <dtpname:Chemical Name>
Alvonal

>  <dtpname:Chemical Name>
Cymarine

>  <dtpname:Chemical Name>
WV 90043 a

>  <dtpname:Chemical Name>
Alvonal MR

>  <dtpname:Chemical Name>
B 652272K044

>  <dtpname:Chemical Name>
K-STROPHANTHIN

>  <dtpname:Chemical Name>
STROPHANTHIN K

>  <dtpname:Chemical Name>
k-Strophanthin-.alpha.

>  <dtpname:Chemical Name>
5.beta.-Card-20(22)-enolide, 3.beta.-(.beta.-D-cymarosyloxy)-5,14-dihydroxy-19-oxo-

>  <dtpname:Chemical Name>
5.beta.,17.alpha.-Card-20(22)enolide, 3.beta.,5,14-trihydroxy-19-oxo-, 3-cymaroside

>  <dtpname:Chemical Name>
WLN: L E5 B666TJ AVH E1 IQ MQ F- DT5OV EHJ& OO- FT6OTJ B1 CQ DO1

>  <dtpname:9th C.I.>
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-

>  <dtpname:8th C.I.>
Cymarin

>  <dtpname:VAN>
Cymarin

$$$$
79688
  CML DOM 09261310252D

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M  END
>  <NSC>
79688

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14415-43-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H23Cl2N3O4

>  <Molecular Weight (nearest integer)>
476

$$$$
139105
  CML DOM 09261310252D

 36 37  0  0  0  0  0  0  0  0999 V2000
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 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <NSC>
139105

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41191-04-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H25ClN6O2.C2H6O3S

>  <Molecular Weight (nearest integer)>
539

>  <dtpname:Chemical Name>
TZT

>  <dtpname:Chemical Name>
BAF

>  <dtpname:Chemical Name>
TRIAZINATE

>  <dtpname:Chemical Name>
Triazinate

>  <dtpname:Chemical Name>
NSC 139105

>  <dtpname:Chemical Name>
Baker's Antifol soluble

>  <dtpname:Chemical Name>
Ethanesulfonic acid, compd. with .alpha.-[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)-phenoxy]-N,N-dimethyl-m-toluamide

>  <dtpname:9th C.I.>
Ethanesulfonic acid, compd. with 3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]methyl]-N,N-dimethylbenzamide (1:1)

$$$$
15623
  CML DOM 09261310252D

 24 24  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <NSC>
15623

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Sb(a3) connected atoms =[ O O C O O ]

>  <Molecular Formula in DIS>
C13H19O9Sb.Na

>  <Molecular Weight (nearest integer)>
464

$$$$
629738
  CML DOM 09261310252D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.3481  -19.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -18.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -19.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491  -21.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6472  -18.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462  -19.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462  -21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6472  -21.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6472  -17.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0491   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462  -16.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462  -15.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452  -14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -16.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452  -12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5443  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5443  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 23  1  0  0  0  0
 11 26  2  0  0  0  0
 12 13  1  0  0  0  0
 12 27  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 32  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <NSC>
629738

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H32N2O2

>  <Molecular Weight (nearest integer)>
453

>  <dtpname:Chemical Name>
1-Naphthalenecarboxamide, N,N'-1,8-(octanediyl)bis-

$$$$
138925
  CML DOM 09261310252D

 45 47  0  0  0  0  0  0  0  0999 V2000
    5.4707   11.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802   12.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1238   11.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2937   13.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688   10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3058   12.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3702   14.6615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7928   13.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    9.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0226    6.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7477   11.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6316   14.7753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    8.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1106   10.2533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070    7.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5745   11.9529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0956    9.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4675    6.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560    8.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2446   10.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6816    5.0798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7656    7.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9321   16.0522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830    5.3331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6130    7.3234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    7.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1279   14.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5525    9.8399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5746   12.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840   12.4659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6542   10.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    3.6026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0912    5.5929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0261    6.4952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 26 28  1  0  0  0  0
 10 32  1  0  0  0  0
 13 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 20 38  1  0  0  0  0
 23 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 29 42  1  0  0  0  0
 30 43  1  0  0  0  0
 30 44  1  0  0  0  0
 31 45  1  0  0  0  0
M  END
>  <NSC>
138925

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
25546-65-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H34N4O10

>  <Molecular Weight (nearest integer)>
454

>  <dtpname:Chemical Name>
SF 733

>  <dtpname:Chemical Name>
Bu 1709

>  <dtpname:Chemical Name>
Ribastamin

>  <dtpname:Chemical Name>
Vistamycin

>  <dtpname:Chemical Name>
VISTAMYCIN

>  <dtpname:Chemical Name>
RIBOSTAMYCIN

>  <dtpname:Chemical Name>
Ribostamycin

>  <dtpname:Chemical Name>
Antibiotic SF 733

>  <dtpname:Chemical Name>
O-2,6-Diamino-2,6-dideoxy-.alpha.-D-glucopyranosyl-(1.fwdarw.4)-O-[.beta.-D-ribofuranosyl-(1.fwdarw.5)]-2-deoxystreptamine

>  <dtpname:9th C.I.>
D-Streptamine, O-2,6-diamino-2,6-dideoxy-.alpha.-D-glucopyranosyl-(1.fwdarw.4)-O-[.beta.-D-ribofuranosyl-(1.fwdarw.5)]-2-deoxy-

>  <dtpname:8th C.I.>
D-Streptamine, O-2,6-diamino-2,6-dideoxy-.alpha.-D-glucopyranosyl-(1.fwdarw.4)-O-[.beta.-D-ribofuranosyl-(1.fwdarw.5)]-2-deoxy-

$$$$
154890
  CML DOM 09261310252D

 35 37  0  0  0  0  0  0  0  0999 V2000
    3.6226    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    1.0245    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.1178   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -5.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -4.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    5.4106    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0161    6.1606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4180    4.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -6.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3140   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9671    6.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4671    4.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9671    4.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7171    5.4106    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.7171    2.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 14  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 28  1  0  0  0  0
 18 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 30  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
M  CHG  2  13   1  34  -1
M  END
>  <NSC>
154890

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
38989-37-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H22NO4.C2H3O5S

>  <Molecular Weight (nearest integer)>
504

>  <dtpname:Chemical Name>
CORALYNE SULFOACETATE

>  <dtpname:Chemical Name>
Coralyne sulfoacetate

>  <dtpname:Chemical Name>
Coralyne, sulfoacetate

>  <dtpname:Chemical Name>
Monoanhydride with sulfuric acid

>  <dtpname:Chemical Name>
Berbinium, 5,6,7,8,13,13a-hexadehydro-2,3,10,11-tetramethoxy-8-methyl-, saltwith acetic acid

>  <dtpname:9th C.I.>
Dibenzo[a,g]quinolizinium, 2,3,10,11-tetramethoxy-8-methyl-, salt with sulfoacetic acid (1:1)

$$$$
164914
  CML DOM 09261310252D

 23 23  0  0  0  0  0  0  0  0999 V2000
  -11.7452   -2.5981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.7452   -5.5981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.5490   -5.5981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.1471   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4461   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8481   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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M  CHG  1  11  -1
M  END
>  <NSC>
164914

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73927-98-7

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Sn(a11) connected atoms =[ O C C C ]

>  <Molecular Formula in DIS>
C18H29Cl3OSn

>  <Molecular Weight (nearest integer)>
487

>  <dtpname:Chemical Name>
Tributyl(2,4,5-trichlorophenoxy)tin

>  <dtpname:9th C.I.>
Stannane, tributyl(2,4,5-trichlorophenoxy)-

$$$$
180973
  CML DOM 09261310252D

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M  END
>  <NSC>
180973

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
54965-24-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H29NO.C6H8O7

>  <Molecular Weight (nearest integer)>
564

>  <dtpname:USAN>
Tamoxifen citrate

>  <dtpname:INN:BAN>
Tamoxifen

>  <dtpname:Brand Name>
Nolvadex

>  <dtpname:Chemical Name>
TMX

>  <dtpname:Chemical Name>
ICI 46474 citrate

>  <dtpname:Chemical Name>
Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propane-tricarboxylate (1:1)

>  <dtpname:9th C.I.>
Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

>  <dtpname:9th C.I.>
Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

$$$$
268251
  CML DOM 09261310252D

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 24 25  1  0  0  0  0
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 26 34  1  0  0  0  0
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M  END
>  <NSC>
268251

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67642-36-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H49N7O5

>  <Molecular Weight (nearest integer)>
576

>  <dtpname:Chemical Name>
4,6-DIDEOXY-4-[[[(14-METHYL-1-OXOPENTADECYL)AMINO]ACETYL]AMINO]-N-1H-PURIN-6-YL-.BETA.-L-GLUCOPYRANOSYLAMINE

>  <dtpname:Chemical Name>
.beta.-L-Glucopyranosylamine, 4,6-dideoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-purin-6-yl-

$$$$
328166
  CML DOM 09261310252D

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  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
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 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 36 37  1  0  0  0  0
 21 39  1  0  0  0  0
 29 40  1  0  0  0  0
M  END
>  <NSC>
328166

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
87532-30-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H34O11

>  <Molecular Weight (nearest integer)>
535

>  <dtpname:Chemical Name>
8B-Hydroxy-9B,10B-epoxyverrucarin A

>  <dtpname:Chemical Name>
VERRUCARIN A, 8B-HYDROXY-9B,10B-EPOXY

>  <dtpname:Chemical Name>
(8.BETA.,9.BETA.,10.BETA.)-9,10-EPOXY-9,10-DIHYDRO-1-HYDROXYVERRUCARIN A

>  <dtpname:Chemical Name>
Verrucarin A, 9,10-epoxy-9,10-dihydro-8-hydroxy-, (8.beta.,9.beta.,10.beta.)-

$$$$
603624
  CML DOM 09261310252D

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M  END
>  <NSC>
603624

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H20Cl2N6O3S

>  <Molecular Weight (nearest integer)>
483

$$$$
640638
  CML DOM 09261310252D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   -8.0687  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
M  END
>  <NSC>
640638

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H19Br2N5

>  <Molecular Weight (nearest integer)>
537

$$$$
657722
  CML DOM 09261310252D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -1.1250    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    3.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740    2.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
M  END
>  <NSC>
657722

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H21Cl2NO4S

>  <Molecular Weight (nearest integer)>
490

>  <dtpname:Chemical Name>
3-(2-chlorobenzylsulfonyl)-3-(2-chlorophenyl)-N-(2,6-dimethylphenyl)-2-oxopropanamide

$$$$
679524
  CML DOM 09261310252D

 38 42  0  0  0  0  0  0  0  0999 V2000
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   -6.6432   -4.9981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3242   -3.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9622   -6.4638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
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 23 24  2  0  0  0  0
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 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 29 36  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  2  0  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
M  END
>  <NSC>
679524

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H20N2O8S

>  <Molecular Weight (nearest integer)>
533

>  <dtpname:Chemical Name>
Benzo[1,2-b:4,3-b']dipyrrole-2,8-dicarboxylic acid, 4,5-dihydro-3-[(4-methylphenyl)sulfonyl]-4,5-dioxo-, phenylmethyl methyl diester

$$$$
4320
  CML DOM 09261310252D

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 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  1  0  0  0  0
 31 33  1  0  0  0  0
 31 45  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 40  1  0  0  0  0
 35 36  1  0  0  0  0
 35 41  1  0  0  0  0
 36 38  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 43  1  0  0  0  0
 39 40  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <NSC>
4320

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
560-53-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C36H54O14

>  <Molecular Weight (nearest integer)>
711

>  <dtpname:Chemical Name>
Strophanthin

>  <dtpname:Chemical Name>
Strophanthin K

>  <dtpname:Chemical Name>
STROPHANTHIN K

>  <dtpname:Chemical Name>
k-Strophanthin-.beta.

>  <dtpname:Chemical Name>
.beta.-k-Strophanthin

>  <dtpname:Chemical Name>
K-Strophanthin-.beta.

>  <dtpname:Chemical Name>
Strophanthin K (crystalline)

>  <dtpname:Chemical Name>
.beta.-Strophanthobioside, strophanthidin-3

>  <dtpname:Chemical Name>
5.beta.-Card-20(22)-enolide, 3.beta.-[(2,6-dideoxy-4-o-.beta.-D-glucopyranosyl-3-o-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-

>  <dtpname:9th C.I.>
Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-.beta.-D-glucopyranosyl-3-O-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-

$$$$
68075
  CML DOM 09261310252D

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M  END
>  <NSC>
68075

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
5373-42-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C41H48N2O8

>  <Molecular Weight (nearest integer)>
697

>  <dtpname:Chemical Name>
NSC 68075

>  <dtpname:Chemical Name>
NY IV34 1

>  <dtpname:Chemical Name>
NY-IV-34-1

>  <dtpname:Chemical Name>
Thalicarpin

>  <dtpname:Chemical Name>
Thalicarpine

>  <dtpname:Chemical Name>
THALICARPINE

>  <dtpname:Chemical Name>
Thaliblastine

>  <dtpname:Chemical Name>
6a.alpha.-Aporphine, 9-[[4,5-dimethoxy-.alpha.-((S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolyl)-o-tolyl]oxy]-1,2,10-trimethoxy-

>  <dtpname:Chemical Name>
4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-9-[4,5-dimethoxy-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-1,2,10-trimethoxy-6-methyl-

>  <dtpname:9th C.I.>
4H-Dibenzo[de,g]quinoline, 9-[4,5-dimethoxy-2-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, [S-(R*,R*)]-

>  <dtpname:8th C.I.>
6a.alpha.-Aporphine, 9-[[4,5-dimethoxy-.alpha.-(1.beta.,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolyl)-o-tolyl]oxy]-1,2,10-trimethoxy-

$$$$
165563
  CML DOM 09261310252D

 43 47  0  0  0  0  0  0  0  0999 V2000
    0.7500    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6049    5.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    4.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4574    7.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8833    9.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9445    7.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5186    6.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
 21  2  1  6  0  0  0
 13  3  1  6  0  0  0
 20  4  1  1  0  0  0
 10  5  1  0  0  0  0
  5 15  1  0  0  0  0
 12  6  1  1  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  6  0  0  0
 10 12  1  0  0  0  0
 10 30  1  6  0  0  0
 11 13  1  0  0  0  0
 11 27  1  1  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 28  1  1  0  0  0
 17 18  1  0  0  0  0
 18 22  1  0  0  0  0
 19 34  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 39 40  1  0  0  0  0
 39 43  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
>  <NSC>
165563

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41451-75-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H36O11

>  <Molecular Weight (nearest integer)>
549

>  <dtpname:Chemical Name>
NSC 165563

>  <dtpname:Chemical Name>
BRUCEANTIN

>  <dtpname:Chemical Name>
BRUCEANTIN

>  <dtpname:Chemical Name>
BRUCEANTIN

>  <dtpname:Chemical Name>
Bruceantin

>  <dtpname:Chemical Name>
Picras-3-en-21-oic acid, 15-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester [11.beta.,12.alpha.,15.beta.(E]-

>  <dtpname:Chemical Name>
Picras-3-en-21-oic acid, 15-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]-

>  <dtpname:9th C.I.>
2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv.

>  <dtpname:9th C.I.>
Picras-3-en-21-oic acid, 15-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.(E))-

$$$$
184398
  CML DOM 09261310252D

 35 39  0  0  0  0  0  0  0  0999 V2000
  -11.0124   -8.7240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5172  -10.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5172   -4.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9192   -6.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2182   -4.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201   -7.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6789   -4.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9192   -4.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201   -4.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6789   -6.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2182   -7.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5172   -6.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8163   -7.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1153   -6.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4144   -7.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4144   -8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8163   -8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2182   -8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6201   -8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7134   -9.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7134  -10.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1153   -9.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5172   -9.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9192   -9.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.3115   -9.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3115  -10.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6105   -8.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6105  -11.7240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0124  -13.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1153  -10.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2182   -5.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1919   -3.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561   -5.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 26  1  0  0  0  0
  2 23  2  0  0  0  0
  3 12  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 32  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 33  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
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 12 13  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 22 31  1  0  0  0  0
 25 27  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <NSC>
184398

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
26055-63-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H26O10

>  <Molecular Weight (nearest integer)>
486

>  <dtpname:Chemical Name>
AQUAYAMYCIN

>  <dtpname:Chemical Name>
Aquayamycin

$$$$
269148
  CML DOM 09261310252D

 40 45  0  0  0  0  0  0  0  0999 V2000
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2697    3.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -4.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6226    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 28  1  0  0  0  0
 24 28  1  0  0  0  0
 25 35  1  0  0  0  0
 27 36  1  0  0  0  0
 28 37  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <NSC>
269148

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
71628-96-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H31NO10

>  <Molecular Weight (nearest integer)>
542

>  <dtpname:Chemical Name>
7-OMEN

>  <dtpname:Chemical Name>
U-52047

>  <dtpname:Chemical Name>
OMEN,7-

>  <dtpname:Chemical Name>
MENOGARIL

>  <dtpname:Chemical Name>
MENOGARIL

>  <dtpname:Chemical Name>
MENOGARIL

>  <dtpname:Chemical Name>
NSC 269148

>  <dtpname:Chemical Name>
7-O-Methylnogarol

>  <dtpname:Chemical Name>
7-O-METHYLNOGAROL

>  <dtpname:Chemical Name>
7(R)-O-Methylnogarol

>  <dtpname:Chemical Name>
7-con-O-Methylnogarol

>  <dtpname:Chemical Name>
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-

>  <dtpname:9th C.I.>
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-, (2.alpha.,3.beta.,4.alpha.,5.beta.,6.alpha.,11.alpha.,13.alpha.)- (P)-

$$$$
330500
  CML DOM 09261310252D

 40 41  0  0  0  0  0  0  0  0999 V2000
    4.7639    1.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8942    3.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7554    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2065   -3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0358    2.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505    0.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807    3.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2089    1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5627   -1.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175   -0.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164   -3.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668   -3.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8494   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360   -2.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931   -1.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4364    2.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402   -2.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1646    3.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5853   -0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2740    4.5483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2386   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2107    0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6743   -3.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0557   -4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2437   -0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4492    3.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954    1.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2785    3.9482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8308   -0.0797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2960   -0.7162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3629    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0642   -4.7227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -5.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697   -0.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6300    0.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6 19  2  0  0  0  0
  7 14  1  0  0  0  0
  7 20  2  0  0  0  0
  8 31  1  0  0  0  0
  9 11  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 32  1  0  0  0  0
 12 16  1  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 37  1  0  0  0  0
 16 35  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  1  0  0  0  0
 18 25  1  0  0  0  0
 19 21  1  0  0  0  0
 19 26  1  0  0  0  0
 20 28  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 34  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <NSC>
330500

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
73341-73-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H44N2O8

>  <Molecular Weight (nearest integer)>
561

>  <dtpname:Chemical Name>
MACBECIN II

>  <dtpname:Chemical Name>
Macbecin II

>  <dtpname:Chemical Name>
MACBECIN II

>  <dtpname:Chemical Name>
Geldanamycin, 18,21-didehydro-6,17-didemethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-6-methyl-11-O-methyl-

>  <dtpname:Chemical Name>
Geldanamycin, 18,21-didehydro-6,17-didemethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-6-methyl-11-o-methyl-, (6S,15R)-

>  <dtpname:9th C.I.>
2-Azabicyclo[16.3.1]docosane, geldanamycin deriv.

>  <dtpname:9th C.I.>
Geldanamycin, 18,21-didehydro-6,17-didemethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-6-methyl-11-O-methyl-, (6S,15R)-

$$$$
617570
  CML DOM 09261310252D

 35 40  0  0  0  0  0  0  0  0999 V2000
   -4.4480   12.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7471   11.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7471    9.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4480    9.0204    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.1490    9.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1490   11.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2491    8.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    8.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9991    7.1322    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.6469    8.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8969    7.1322    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -8.1460    8.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4480    7.5204    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
   -2.9206    5.6342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3210    5.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2650    6.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9754    5.6342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5750    5.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6311    6.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3817    4.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8305    4.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8912    3.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5030    1.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0541    1.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9934    2.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5144    4.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0655    4.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0048    3.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931    1.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8420    1.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9026    2.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4480    6.0204    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -7.2188    5.8731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6773    5.8731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6460    6.3852    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  CHG  6   4   1   9   1  11   1  13   2  32  -1  35  -1
M  END
>  <NSC>
617570

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Ni(a13) connected atoms =[ N N N O O Cl ]

>  <Molecular Formula in DIS>
C23H21ClN5NiO4.Cl

>  <Molecular Weight (nearest integer)>
561

>  <dtpname:Chemical Name>
Benzoic acid, 2-hydroxy-, (2,6-pyridinediyldiethylidyne) dihydrazide, nickel complex

>  <dtpname:Chemical Name>
Nickel(1+), chloro[[2-hydroxybenzoic acid(2,6-pyridinediyl diethylidyne)dihydrazidato](2-)]-, chloride, (OC-6-43)

$$$$
640985
  CML DOM 09261310252D

 36 40  0  0  0  0  0  0  0  0999 V2000
   -4.5898    5.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8888    4.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8888    3.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5898    2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2907    3.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2907    4.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8641    5.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9825    3.8838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8641    2.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4006    1.2437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4006    6.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0666    6.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5301    8.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0703    5.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6068    4.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105    3.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0777    3.4916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412    4.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    6.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814    2.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6179    0.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1507    0.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1470    1.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4043    7.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8715    7.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9408    9.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9445   10.1799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735    9.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0100   10.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4572   11.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   12.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170   13.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5502   13.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137   11.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4809   11.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3880   12.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  2  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <NSC>
640985

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H23NO5

>  <Molecular Weight (nearest integer)>
478

$$$$
657799
  CML DOM 09261310252D

 34 34  0  0  0  0  0  0  0  0999 V2000
  -15.6423   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9413   -4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3433   -4.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 28  1  0  0  0  0
 29 34  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <NSC>
657799

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H38N2O4.ClH

>  <Molecular Weight (nearest integer)>
491

>  <dtpname:Chemical Name>
VERAPAMIL HYDROCHLORIDE

>  <dtpname:Chemical Name>
(+-)-Verapamil hydrochloride

$$$$
679527
  CML DOM 09261310252D

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 33 34  2  0  0  0  0
M  END
>  <NSC>
679527

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
106674-01-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H22N2O6S

>  <Molecular Weight (nearest integer)>
479

$$$$
5159
  CML DOM 09261310252D

 51 57  0  0  0  0  0  0  0  0999 V2000
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 37 51  1  0  0  0  0
M  END
>  <NSC>
5159

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6377-18-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H32O14

>  <Molecular Weight (nearest integer)>
641

>  <dtpname:Chemical Name>
U-7257

>  <dtpname:Chemical Name>
X 465A

>  <dtpname:Chemical Name>
NSC 5159

>  <dtpname:Chemical Name>
Lambdamycin

>  <dtpname:Chemical Name>
CHARTREUSIN

>  <dtpname:Chemical Name>
Antibiotic X-465A

>  <dtpname:Chemical Name>
Chartreusin, dihydrate

>  <dtpname:Chemical Name>
WLN: T B66 K666 2AB T HVO SVOJ F1 QQ LO- BT6OTJ DQ EQ F1 CO- BT6OTJ CQ DO1 EQ F1

>  <dtpname:Chemical Name>
WLN: T B66 K666 2AB T HVO SVOJ F1 QQ LO- BT6OTJ DQ EQ F1 CO- BT6OTJ CQ DO1 EQ F1

>  <dtpname:Chemical Name>
WLN: T B66 K666 2AB T HVO SVOJ F1 QQ LO- BT6OTJ DQ EQ F1 CO- BT6OTJ CQ DO1 EQ F1 &QH 2

>  <dtpname:Chemical Name>
WLN: T B66 K666 2AB T HVO SVOJ F1 QQ LO- BT6OTJ DQ EQ F1 CO- BT6OTJ CQ DO1 EQ F1 &QH 2

>  <dtpname:9th C.I.>
Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 10-[[6-deoxy-2-O-(6-deoxy-3-O-methyl-.alpha.-D-galactopyranosyl)-.beta.-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl-

>  <dtpname:8th C.I.>
Chartreusin

$$$$
70845
  CML DOM 09261310252D

 57 63  0  0  0  0  0  0  0  0999 V2000
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    6.2207    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -0.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0149   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4168   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187   -2.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120   -4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2111   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5101   -4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2111   -7.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5101   -6.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187   -4.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8092   -7.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1082   -6.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8091   -4.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1082   -4.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -4.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2111   -5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2111   -5.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2111   -2.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5101   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2111    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4251    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3892   -0.7360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
 10  2  1  6  0  0  0
  3 10  1  0  0  0  0
  3 21  1  0  0  0  0
  4 29  2  0  0  0  0
  5 19  2  0  0  0  0
  6 31  1  0  0  0  0
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 28  7  1  6  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 40  1  6  0  0  0
  9 11  1  0  0  0  0
  9 36  1  1  0  0  0
 11 12  1  0  0  0  0
 11 39  1  6  0  0  0
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 13 21  2  0  0  0  0
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 16 57  1  1  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 28  1  0  0  0  0
 23 27  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  2  0  0  0  0
 26 28  1  0  0  0  0
 27 47  1  0  0  0  0
 30 42  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 50  1  0  0  0  0
 33 35  1  0  0  0  0
 33 45  1  0  0  0  0
 33 48  1  0  0  0  0
 34 35  1  0  0  0  0
 34 49  1  0  0  0  0
 35 43  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 43 44  1  0  0  0  0
 45 46  1  0  0  0  0
 50 51  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54 55  1  0  0  0  0
M  END
>  <NSC>
70845

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
1404-15-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C39H49NO16

>  <Molecular Weight (nearest integer)>
788

>  <dtpname:Chemical Name>
U 15167

>  <dtpname:Chemical Name>
NSC 70845

>  <dtpname:Chemical Name>
NOGALAMYCIN

>  <dtpname:Chemical Name>
NOGALAMYCIN

>  <dtpname:Chemical Name>
Antibiotic 205t3

>  <dtpname:Chemical Name>
Antibiotic from Streptomyces nogalater

>  <dtpname:Chemical Name>
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9.11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-

>  <dtpname:9th C.I.>
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, (2.alpha.,3.beta.,4.alpha.,5.beta.,6.alpha.,11.beta.,13.alpha.,14.alpha.)-(+)-

>  <dtpname:8th C.I.>
Nogalamycin

$$$$
167780
  CML DOM 09261310252D

 34 34  0  0  0  0  0  0  0  0999 V2000
    8.5443  -18.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481  -17.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462  -17.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5443  -17.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481   -9.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481  -12.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2452  -16.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3481   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -8.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452  -12.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
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  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  5 16  1  0  0  0  0
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  6 16  2  0  0  0  0
  7 17  1  0  0  0  0
  8 17  2  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  1  0  0  0  0
 17 26  1  0  0  0  0
 19 22  1  0  0  0  0
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 21 24  1  0  0  0  0
 21 27  2  0  0  0  0
 22 25  1  0  0  0  0
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 23 29  2  0  0  0  0
 23 30  1  0  0  0  0
 24 33  1  0  0  0  0
 25 34  1  0  0  0  0
M  END
>  <NSC>
167780

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
3577-89-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H35Cl2N3O4

>  <Molecular Weight (nearest integer)>
488

>  <dtpname:Chemical Name>
Asalex

>  <dtpname:Chemical Name>
ASALEY

>  <dtpname:Chemical Name>
Asaley

>  <dtpname:Chemical Name>
Ethyl ester of N-acetyl-DL-sarcolysyl-L-leucine

>  <dtpname:Chemical Name>
L-Leucine, N-[N-acetyl-4-[bis-(2-chloroethyl)amino]-DL-phenylalanyl]-, ethylester

>  <dtpname:9th C.I.>
L-Leucine, N-[N-acetyl-4-[bis(2-chloroethyl)amino]-DL-phenylalanyl]-, ethyl ester

>  <dtpname:8th C.I.>
Leucine, N-[N-acetyl-3-[p-[bis(2-chloroethyl)amino]phenyl]-DL-alanyl]-, ethyl ester, L-

$$$$
184403
  CML DOM 09261310252D

 31 32  0  0  0  0  0  0  0  0999 V2000
   -7.3261   -9.4952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501   -3.7500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -9.0001   -5.9462    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.7501   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2501   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0001   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5001   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7501   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0001   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7501   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5001   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5001   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2501   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7501   -2.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2501   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0001   -5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5001   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.9242   -9.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9242  -10.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6251  -11.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3261  -10.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -13.5001   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0001   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2501   -7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501   -4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8 11  1  0  0  0  0
  8 30  1  0  0  0  0
  9 15  2  0  0  0  0
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 11 31  1  0  0  0  0
 12 18  2  0  0  0  0
 12 13  1  0  0  0  0
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 17 19  2  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  CHG  2   2  -1   3   1
M  END
>  <NSC>
184403

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H14NO4.2C5H5N.2ClH.Cl

>  <Molecular Weight (nearest integer)>
575

$$$$
269754
  CML DOM 09261310252D

 42 46  0  0  0  0  0  0  0  0999 V2000
   15.4594   -3.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2201   -4.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1332   -4.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0473   -5.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
269754

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H40O10

>  <Molecular Weight (nearest integer)>
549

>  <dtpname:Chemical Name>
B2

>  <dtpname:Chemical Name>
B800157F248

>  <dtpname:Chemical Name>
Modified new trichothecene

>  <dtpname:Chemical Name>
BACCHARIS PRINCIPLE B-2 (B800157F248 AND K381)

>  <dtpname:Chemical Name>
7'-DEOXO-2'-DEOXY-4',8-DIHYDROXY-7'-(1-HYDROXYETHYL)VERRUCARIN A

>  <dtpname:Chemical Name>
Verrucarin A, 7'-deoxo-2'-deoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)-

>  <dtpname:Chemical Name>
Verrucarin A, 7'-deoxy-2'-deoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)-

$$$$
330516
  CML DOM 09261310252D

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M  END
>  <NSC>
330516

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H32O9

>  <Molecular Weight (nearest integer)>
537

>  <dtpname:Chemical Name>
SCHISANTERIN A

>  <dtpname:Chemical Name>
Schisantherin A

>  <dtpname:Chemical Name>
Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, stereoisomer

$$$$
623093
  CML DOM 09261310252D

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M  END
>  <NSC>
623093

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H17F3N6O2S3

>  <Molecular Weight (nearest integer)>
587

$$$$
641233
  CML DOM 09261310252D

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M  END
>  <NSC>
641233

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H18ClNO7

>  <Molecular Weight (nearest integer)>
564

>  <dtpname:Chemical Name>
2-Naphthalenebutanamide, N-(3-chloro-1,4-dihydro- 1,4-dioxo-2-naphthalenyl)-.beta.-(1,3-dihydro-3-oxo- 1-isoindolyl)-.alpha.-,-.gamma.-dioxo-

$$$$
658139
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M  CHG  6  16   1  17  -1  19   1  21  -1  22   1  23  -1
M  END
>  <NSC>
658139

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H15N5O6

>  <Molecular Weight (nearest integer)>
505

>  <dtpname:Chemical Name>
9H-Fluoren-9-one, 2,4,7-trinitro-, (9,10-dihydroanthracen- 9-ylidene)hydrazone

$$$$
681744
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M  END
>  <NSC>
681744

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C36H34N4O2

>  <Molecular Weight (nearest integer)>
555

$$$$
7525
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M  END
>  <NSC>
7525

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
124-99-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C36H52O13

>  <Molecular Weight (nearest integer)>
693

>  <dtpname:Chemical Name>
SCILLAREN A

>  <dtpname:Chemical Name>
Scillaren A

>  <dtpname:Chemical Name>
Transvaalin

>  <dtpname:Chemical Name>
Glucoproscillaridin A

>  <dtpname:Chemical Name>
.alpha.-L-Mannopyranoside, scillarenin-3 6-deoxy-4-O- .beta.-D-glucopyranosyl-

>  <dtpname:9th C.I.>
Bufa-4,20,22-trienolide, 3-[(6-deoxy-4-O-.beta.-D-glucopyranosyl-.alpha.-L-mannopyranosyl)oxy]-14-hydroxy-, (3.beta.)-

$$$$
70929
  CML DOM 09261310252D

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M  END
>  <NSC>
70929

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
11048-97-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C41H50N2O11

>  <Molecular Weight (nearest integer)>
747

>  <dtpname:Chemical Name>
B 26158

>  <dtpname:Chemical Name>
HEDAMYCIN

>  <dtpname:Chemical Name>
Hedamycin

>  <dtpname:Chemical Name>
HEDAMYCIN

>  <dtpname:Chemical Name>
Antibiotic B26,158

>  <dtpname:Chemical Name>
Crystalline Antibiotic B 26,158

>  <dtpname:Chemical Name>
Antiobiotic B 28158, crystalline

>  <dtpname:9th C.I.>
4H-Anthra[1,2-b]pyran-4,7,12-trione, 2-(3,3'-dimethyl[2,2'-bioxiran]-3-yl)-11-hydroxy-5-methyl-8-[2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-.alpha.-L-lyxo-hexopyranosyl]-

$$$$
169676
  CML DOM 09261310252D

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M  END
>  <NSC>
169676

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
66421-94-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H31F3N4OS.3ClH

>  <Molecular Weight (nearest integer)>
590

>  <dtpname:Chemical Name>
Ethanol, 2-[[2-[4-[3-[2-(trifluoromethyl]-10H-phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl]amino]-, trihydrochloride

$$$$
240419
  CML DOM 09261310252D

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M  END
>  <NSC>
240419

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
39669-49-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H23Br2N3O2

>  <Molecular Weight (nearest integer)>
497

>  <dtpname:Chemical Name>
Benzoic acid, 2-[[4-[bis(2-bromopropyl)amino]-2-methylphenyl]azo]-

$$$$
285223
  CML DOM 09261310252D

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 37 38  1  0  0  0  0
M  END
>  <NSC>
285223

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H14N2O4.C13H14N2O4

>  <Molecular Weight (nearest integer)>
525

>  <dtpname:Chemical Name>
NEOTHRAMYCIN

>  <dtpname:Chemical Name>
Neothramycin

>  <dtpname:Chemical Name>
Neothramycin A

>  <dtpname:Chemical Name>
Neothramycin B

>  <dtpname:Chemical Name>
Neothramycin A and neothramycin B

>  <dtpname:Chemical Name>
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-, mixt. wtih 1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

$$$$
330753
  CML DOM 09261310252D

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M  END
>  <NSC>
330753

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
27548-93-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C31H38O11

>  <Molecular Weight (nearest integer)>
587

>  <dtpname:Chemical Name>
Baccatin III

$$$$
623095
  CML DOM 09261310252D

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M  END
>  <NSC>
623095

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H16F3N5O3S

>  <Molecular Weight (nearest integer)>
487

$$$$
642033
  CML DOM 09261310252D

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M  END
>  <NSC>
642033

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H28N6O4

>  <Molecular Weight (nearest integer)>
477

$$$$
658350
  CML DOM 09261310252D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
658350

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H24N6O2S2

>  <Molecular Weight (nearest integer)>
493

$$$$
686349
  CML DOM 09261310252D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
686349

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H12O9S5

>  <Molecular Weight (nearest integer)>
509

>  <dtpname:Chemical Name>
Spiro[1,3-dithiole-2,7'(3'H)-[1,2]dithiolo[4,3-b]- thiopyran]-4,5,5',6'-tetracarboxylic acid, 3'-oxo-, tetramethyl ester

$$$$
7530
  CML DOM 09261310252D

 63 70  0  0  0  0  0  0  0  0999 V2000
   21.4454    6.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7289    6.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4159    6.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0572    2.5111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6476    1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9001    6.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6369    1.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 35 41  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 39 40  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 47  1  0  0  0  0
 43 44  1  0  0  0  0
 43 58  1  0  0  0  0
 44 45  1  0  0  0  0
 44 63  1  0  0  0  0
 45 46  1  0  0  0  0
 45 62  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 55  1  0  0  0  0
 51 52  1  0  0  0  0
 51 59  1  0  0  0  0
 52 53  1  0  0  0  0
 52 61  1  0  0  0  0
 53 54  1  0  0  0  0
 53 60  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
M  END
>  <NSC>
7530

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
33279-57-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C42H64O19

>  <Molecular Weight (nearest integer)>
873

>  <dtpname:Chemical Name>
STROPHANTHOSIDE-K

>  <dtpname:Chemical Name>
k-Strophanthoside

>  <dtpname:9th C.I.>
Card-20(22)-enolide, 3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.6)-O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-2,6-dideoxy-3-O-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-

$$$$
73495
  CML DOM 09261310252D

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 27 28  1  0  0  0  0
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 28 30  1  0  0  0  0
 28 35  1  0  0  0  0
 29 34  1  0  0  0  0
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 30 31  2  0  0  0  0
 30 38  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 42  2  0  0  0  0
 33 43  2  0  0  0  0
 34 39  1  0  0  0  0
 40 47  1  0  0  0  0
 44 47  2  0  0  0  0
 45 47  2  0  0  0  0
 46 47  1  0  0  0  0
 35 48  1  0  0  0  0
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 36 50  1  0  0  0  0
 37 51  1  0  0  0  0
 38 52  1  0  0  0  0
 39 53  1  0  0  0  0
 40 54  1  0  0  0  0
M  END
>  <NSC>
73495

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H21NO7.C12H26O4S

>  <Molecular Weight (nearest integer)>
678

>  <dtpname:Chemical Name>
B 132742

>  <dtpname:Chemical Name>
CHELOCARDIN ,DODECYL SO4

>  <dtpname:Chemical Name>
Chelocardin dodecyl sulfate

>  <dtpname:Chemical Name>
Antibiotic from Nocardia sulphurea

>  <dtpname:Chemical Name>
Chelocardin, dodecyl sulfate (salt)

$$$$
172924
  CML DOM 09261310252D

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  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <NSC>
172924

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
14907-98-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H32O11

>  <Molecular Weight (nearest integer)>
521

>  <dtpname:Chemical Name>
BRUSATOL

$$$$
243928
  CML DOM 09261310252D

 34 36  0  0  0  0  0  0  0  0999 V2000
    3.9690    4.6575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8661   11.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5671   12.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680   11.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8661    9.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680    9.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5671    9.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    7.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6700    6.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3709    7.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0719    6.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680    6.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5671    7.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8661    6.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0719    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6700    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8661    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3709    4.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5671    4.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690   12.1575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690   13.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    9.1575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1651   12.1575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4642   11.4075    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7142   10.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2142   12.7065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7632   10.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0623   11.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9947   17.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447   15.8941    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5438   15.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4947   14.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457   16.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4 21  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  2  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <NSC>
243928

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H21N3O3S.CH4O3S

>  <Molecular Weight (nearest integer)>
504

>  <dtpname:Chemical Name>
Ethanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyphenyl]-, monomethanesulfonate

$$$$
288010
  CML DOM 09261310252D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.0490    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0824    7.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0861    6.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5571    5.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5534    6.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    8.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5423    9.6761    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0169    7.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0132    8.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6590    4.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488    5.3740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1262    3.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1299    4.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9981   -0.3836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5897    2.2653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0888    2.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7930    0.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991   -0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7042   -1.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7024   -1.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9075   -2.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6754   11.1761    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 25  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  2  0  0  0  0
 12 16  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
288010

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
56457-10-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H29ClN4O2.ClH

>  <Molecular Weight (nearest integer)>
489

>  <dtpname:Chemical Name>
1H-Benz[g]indazole-3-carboxamide,1-(4-chlorophenyl)- N-[2-(diethylamino)ethyl]-4,5-dihydro-7-methoxy-, monohydrochloride

$$$$
345647
  CML DOM 09261310252D

 40 45  0  0  0  0  0  0  0  0999 V2000
    4.6680    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2661    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2661    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2661    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2661    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8642    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8642    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8641    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8642    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632   11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4622    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4622    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4622    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670   11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651   11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7613    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7613    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7613    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7613    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  2  6  2  0  0  0  0
  2 31  1  0  0  0  0
  3  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  8  2  0  0  0  0
  5 12  1  0  0  0  0
  5 33  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 34  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 19  2  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 36  1  0  0  0  0
 17 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 22 24  2  0  0  0  0
 22 30  1  0  0  0  0
 23 29  1  0  0  0  0
 23 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 39  1  0  0  0  0
 28 30  1  0  0  0  0
 28 40  1  0  0  0  0
 29 38  1  0  0  0  0
 30 37  1  0  0  0  0
M  END
>  <NSC>
345647

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H26O10

>  <Molecular Weight (nearest integer)>
547

>  <dtpname:Chemical Name>
CHAETOCHROMIN

>  <dtpname:Chemical Name>
Chaetochromin

>  <dtpname:Chemical Name>
[9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-

>  <dtpname:Chemical Name>
[9,9'-bi-4H-Naphtho[2,3-b]pyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-

$$$$
635544
  CML DOM 09261310252D

 31 33  0  0  0  0  0  0  0  0999 V2000
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6471    6.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  4   7   1   8  -1  11   1  12  -1
M  END
>  <NSC>
635544

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H13Cl3N4O5

>  <Molecular Weight (nearest integer)>
484

$$$$
644794
  CML DOM 09261310252D

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    5.2953   10.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2953   11.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 33 36  1  0  0  0  0
M  END
>  <NSC>
644794

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H14Cl2F3NO5

>  <Molecular Weight (nearest integer)>
536

$$$$
659999
  CML DOM 09261310252D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
659999

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H21BrN2O6.ClH

>  <Molecular Weight (nearest integer)>
478

>  <dtpname:Chemical Name>
Naphthalene-1,4-dione, 2-bromo-5,8-dihydroxy- 3-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]-, hydrochloride

$$$$
687330
  CML DOM 09261310252D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 32 33  1  0  0  0  0
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M  END
>  <NSC>
687330

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
160056-49-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H40N6O4Si2

>  <Molecular Weight (nearest integer)>
509

>  <dtpname:Chemical Name>
9H-Purin-6-amine, 9-[2-amino-2-deoxy-3,5- O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]- .beta.-D-ribofuranosyl]-

>  <dtpname:9th C.I.>
Adenosine, 2'-amino-2'-deoxy-3',5'- O-[1,1,3,3-tetrakis(1-methylethyl)-1,3-disiloxanediyl]-

$$$$
19990
  CML DOM 09261310252D

 56 59  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
19990

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23344-17-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C40H51NO14

>  <Molecular Weight (nearest integer)>
770

>  <dtpname:Chemical Name>
STREPTOVARICIN C

>  <dtpname:Chemical Name>
Streptovaricin C

>  <dtpname:Chemical Name>
Dalacin C (Antibiotic 101a-3)

>  <dtpname:Chemical Name>
Streptovaricin complex, fraction c

>  <dtpname:9th C.I.>
Streptovaricinoic acid, methyl ester

>  <dtpname:8th C.I.>
6,9:23,24a-Dimethano-24aH-m-dioxino[4,5,6-st][4]benzazacycloheneicosine-7,11,26(10H,16H)-trione, 17,18,19,20,21,22,23,24-octahydro-5,17,19,21,25-hexahydroxy-24-(2-hydroxypropenyl)-23-methoxy-4,8,12,16,18,22,24-heptamethyl-, 24-acetate

$$$$
173046
  CML DOM 09261310252D

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M  END
>  <NSC>
173046

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6928-68-3

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Pb(a1) connected atoms =[ O O C C ]

>  <Molecular Formula in DIS>
C16H16O4Pb

>  <Molecular Weight (nearest integer)>
479

>  <dtpname:Chemical Name>
Diphenyllead diacetate

>  <dtpname:Chemical Name>
Plumbane, bis(acetyloxy)diphenyl-

$$$$
245432
  CML DOM 09261310252D

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 31 32  1  0  0  0  0
M  END
>  <NSC>
245432

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
42936-80-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H24ClN3O11

>  <Molecular Weight (nearest integer)>
482

>  <dtpname:9th C.I.>
Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)-

$$$$
290205
  CML DOM 09261310252D

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    3.3197    7.5126    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   21.5061    7.5814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
 32 39  1  0  0  0  0
M  END
>  <NSC>
290205

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
43000-65-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C31H44Cl2N2O3

>  <Molecular Weight (nearest integer)>
564

>  <dtpname:Chemical Name>
17a-Aza-D-homoandrostan-17-one, 3-[[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-, (3.beta.,5.alpha.)-

$$$$
354844
  CML DOM 09261310252D

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 35 36  1  0  0  0  0
M  END
>  <NSC>
354844

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H28O9

>  <Molecular Weight (nearest integer)>
509

>  <dtpname:Chemical Name>
ALBACARCIN V

>  <dtpname:Chemical Name>
ALBACARCIN V

>  <dtpname:Chemical Name>
Albacarcin V

>  <dtpname:Chemical Name>
VIRENOMYCIN V

>  <dtpname:Chemical Name>
6H-Benzo[d]naphtho[1,2-b]pyran-6-one,4-(6-deoxy-3-C-methyl-.beta.-D-gulopyranosyl-8-ethenyl-1-hydroxy-10,12-dimethoxy-

>  <dtpname:Chemical Name>
6H-Benzo[d]naphtho[1,2-b]pyran-6-one, 4-(6-deoxy-3-C-methyl-.beta.-D-gulopyranosyl)-8-ethenyl-1-hydroxy-10,12-dimethoxy-

$$$$
638646
  CML DOM 09261310252D

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   -0.3509    4.9935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3991    6.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8991    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
638646

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H24Cl4N2O3.ClH

>  <Molecular Weight (nearest integer)>
591

>  <dtpname:Chemical Name>
STREPTOMYCES ISOLATE

>  <dtpname:Chemical Name>
4-Piperidinone, 3,5-bis[(3,4-dichlorophenyl)methylene]- 1-[3-(4-morpholinyl)-1-oxopropyl]-, monohydrochloride

$$$$
653000
  CML DOM 09261310252D

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M  END
>  <NSC>
653000

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H48N12O6

>  <Molecular Weight (nearest integer)>
565

>  <dtpname:Chemical Name>
Hexahydroxyethylaminomethyl melamine

$$$$
670140
  CML DOM 09261310252D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
670140

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H15Br2NO2

>  <Molecular Weight (nearest integer)>
485

>  <dtpname:Chemical Name>
5H-Dibenzo[a,d]cyclohepten-5-imine, 10,11-dibromo- 10,11-dihydro-N-(benzoyloxy)-

$$$$
690634
  CML DOM 09261310252D

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M  CHG  4  31   1  32  -1  34   1  35  -1
M  END
>  <NSC>
690634

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H22N6O4

>  <Molecular Weight (nearest integer)>
519

$$$$
30916
  CML DOM 09261310252D

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M  END
>  <NSC>
30916

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H20Hg2O6

>  <Molecular Weight (nearest integer)>
758

>  <dtpname:Chemical Name>
MP 317

>  <dtpname:Chemical Name>
SKI 23340

>  <dtpname:Chemical Name>
P-Dioxane, 2,5-bis[(benzoyloxymercuri)methyl]-

>  <dtpname:Chemical Name>
p-Dioxane, 2,5-bis[(benzoyloxymercuri)methyl]-

$$$$
93135
  CML DOM 09261310252D

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  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  2  0  0  0  0
  8 23  1  0  0  0  0
  9 23  2  0  0  0  0
 10 11  2  0  0  0  0
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 17 19  1  0  0  0  0
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 19 39  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  1  0  0  0  0
 21 36  1  0  0  0  0
 23 41  1  0  0  0  0
 25 29  2  0  0  0  0
 25 40  1  0  0  0  0
 26 28  1  0  0  0  0
 27 33  1  0  0  0  0
 28 36  1  0  0  0  0
 29 41  1  0  0  0  0
 30 31  2  0  0  0  0
 30 42  1  0  0  0  0
 31 43  1  0  0  0  0
 32 35  2  0  0  0  0
 32 44  1  0  0  0  0
 33 34  2  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 34 42  1  0  0  0  0
 35 45  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 40 46  1  0  0  0  0
M  END
>  <NSC>
93135

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
548-40-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C37H40N2O6

>  <Molecular Weight (nearest integer)>
609

>  <dtpname:Chemical Name>
Oxycanthine

>  <dtpname:Chemical Name>
OXYACANTHINE

>  <dtpname:Chemical Name>
N-Methylsepeerine

>  <dtpname:Chemical Name>
N-Methylocoteamine

>  <dtpname:Chemical Name>
Oxyacanthan-12'-ol, 6,6',7'-trimethoxy-2,2'-dimethyl-

>  <dtpname:9th C.I.>
Oxyacanthan-12'-ol, 6,6',7-trimethoxy-2,2'-dimethyl-

>  <dtpname:8th C.I.>
Oxyacanthine

$$$$
174121
  CML DOM 09261310252D

 44 47  0  0  0  0  0  0  0  0999 V2000
   12.7443    2.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9401    2.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3422    2.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2900   -2.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9997   -1.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6151    0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3248    0.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5976   -1.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0172    0.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1290    0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5311    0.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2234    0.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4963   -2.0627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6778    4.7321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3527    2.4973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5628   -4.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6642   -3.7738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  2  0  0  0  0
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  9 10  1  0  0  0  0
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 10 22  1  0  0  0  0
 11 16  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 32  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  2  0  0  0  0
 18 25  1  0  0  0  0
 18 29  2  0  0  0  0
 19 27  2  0  0  0  0
 19 30  1  0  0  0  0
 20 26  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  2  0  0  0  0
 21 24  1  0  0  0  0
 21 31  1  0  0  0  0
 22 33  1  0  0  0  0
 22 35  2  0  0  0  0
 23 31  1  0  0  0  0
 23 36  2  0  0  0  0
 24 34  1  0  0  0  0
 24 37  2  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 31 42  1  0  0  0  0
 33 43  1  0  0  0  0
 34 44  1  0  0  0  0
M  END
>  <NSC>
174121

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H24N8O5

>  <Molecular Weight (nearest integer)>
505

>  <dtpname:Chemical Name>
L-Glutamic acid, N-[[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-1-naphthalenyl]carbonyl]-

>  <dtpname:Chemical Name>
N-[[4-[[(2,4-DIAMINO-6-PTERIDINYL)METHYL]METHYLAMINO]-1-NAPHTHALENYL]CARBONYL]-L-GLUTAMIC ACID, HYDRATE (4:3)

>  <dtpname:Chemical Name>
L-Glutamic acid, N-[[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-1-naphthalenyl]carbonyl]-, hydrate (4:3)

$$$$
255109
  CML DOM 09261310252D

 45 46  0  0  0  0  0  0  0  0999 V2000
   -2.3413   -7.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0422   -6.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2568   -7.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0422   -5.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5559   -6.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3715   -8.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2568   -4.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9654   -7.1831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15 18  1  0  0  0  0
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 17 20  2  0  0  0  0
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 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
  7 10  1  0  0  0  0
 31 33  1  0  0  0  0
  8 40  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 25 43  1  0  0  0  0
 38 44  1  0  0  0  0
 38 45  1  0  0  0  0
M  END
>  <NSC>
255109

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
64202-81-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H39N3O8

>  <Molecular Weight (nearest integer)>
546

>  <dtpname:Chemical Name>
GELDANAMYCIN ANALOG

>  <dtpname:Chemical Name>
17-Aminodemethoxygeldanamycin

>  <dtpname:Chemical Name>
17-Amino-17-demethoxygeldanamycin

>  <dtpname:Chemical Name>
Geldanamycin, 17-amino-17-demethoxy-

$$$$
305222
  CML DOM 09261310252D

 36 39  0  0  0  0  0  0  0  0999 V2000
   -8.3973    2.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5523    1.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
305222

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H39NO5

>  <Molecular Weight (nearest integer)>
494

>  <dtpname:Chemical Name>
Cytochalasin H

>  <dtpname:Chemical Name>
Kodocytochalasin 1

>  <dtpname:Chemical Name>
[11]Cytochalasa-6(12),13,19-trien-1-one, 21-(acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-

>  <dtpname:9th C.I.>
1H-Cycloundec[d]isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro- 6,12-dihydroxy-4,10,12-trimethyl-5-methylene- 3-(phenylmethyl)-, (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-

$$$$
363744
  CML DOM 09261310252D

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M  END
>  <NSC>
363744

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H20N2O.C10H16O4S

>  <Molecular Weight (nearest integer)>
513

$$$$
640584
  CML DOM 09261310252D

 35 39  0  0  0  0  0  0  0  0999 V2000
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   -2.3514   -2.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  2  0  0  0  0
M  END
>  <NSC>
640584

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H19Cl2N3OS

>  <Molecular Weight (nearest integer)>
516

$$$$
654259
  CML DOM 09261310252D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
654259

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H19BrN6O4.ClH

>  <Molecular Weight (nearest integer)>
536

>  <dtpname:Chemical Name>
Glycylaminophenylbenzoylurea (HCl salt)

$$$$
671136
  CML DOM 09261310252D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    4.4035   -3.4084    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4839   -8.4910    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 21 33  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 32  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  2  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 36  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <NSC>
671136

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H16Cl2N2O4S2

>  <Molecular Weight (nearest integer)>
567

>  <dtpname:Chemical Name>
Benzoic acid, 2,4-dichloro-, 6-acetyl-1,2,3,4-tetrahydro- 4-oxo-1,3-diphenyl-2-thioxothieno[2,3-d]pyrimidin-5-yl ester

$$$$
699479
  CML DOM 09261310252D

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M  CHG  2  10   1  24  -1
M  END
>  <NSC>
699479

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H23ClN3.CF3O3S

>  <Molecular Weight (nearest integer)>
562

$$$$
46061
  CML DOM 09261310252D

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M  END
>  <NSC>
46061

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H24F3N3S.2C4H6O4

>  <Molecular Weight (nearest integer)>
644

>  <dtpname:Chemical Name>
Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-, disuccinate

>  <dtpname:Chemical Name>
Butanedioic acid, compd. with 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine (2:1)

$$$$
103248
  CML DOM 09261310252D

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 44 52  1  0  0  0  0
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M  END
>  <NSC>
103248

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
15401-05-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C42H53N3O7

>  <Molecular Weight (nearest integer)>
712

>  <dtpname:Chemical Name>
Emetine, N-(1-carboxyprolyl)-, benzyl ester

$$$$
177365
  CML DOM 09261310252D

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M  CHG  2  30   1  31  -1
M  END
>  <NSC>
177365

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63345-17-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H23N7O4S.2ClH

>  <Molecular Weight (nearest integer)>
566

>  <dtpname:9th C.I.>
1-Propanesulfonamide, 3-[(aminoiminomethyl)amino]-N-[4-[(3-nitro-9-acridinyl)amino]phenyl]-, dihydrochloride

$$$$
258812
  CML DOM 09261310252D

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M  END
>  <NSC>
258812

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70095-84-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H33NO10.ClH

>  <Molecular Weight (nearest integer)>
592

>  <dtpname:Chemical Name>
N,N-DIMETHYLDAUNOMYCIN HYDROCHLORIDE

>  <dtpname:Chemical Name>
N,N-Dimethyldaunomycin hydrochloride

>  <dtpname:Chemical Name>
N,N-Dimethyldaunorubicin hydrochloride

>  <dtpname:Chemical Name>
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-,hydrochloride

>  <dtpname:Chemical Name>
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, hydrochloride, (8S-cis)-

>  <dtpname:9th C.I.>
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-,hydrochloride, (8S-cis)-

$$$$
324368
  CML DOM 09261310252D

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 27 28  1  0  0  0  0
 28 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END
>  <NSC>
324368

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
65492-82-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H58NO6P

>  <Molecular Weight (nearest integer)>
524

>  <dtpname:Chemical Name>
ALP

>  <dtpname:Chemical Name>
Edelfosine

>  <dtpname:Chemical Name>
Et-18-OCH3

>  <dtpname:Chemical Name>
ALKYL-LYSOPHOSPHOLIPID

>  <dtpname:Chemical Name>
1-Octadecyl-2-methylphosphorylcholine

>  <dtpname:Chemical Name>
Choline, 1-octadecyl-2-methoxy-3-phosphoryl-

>  <dtpname:Chemical Name>
PHOSPHORYLCHOLINE, 1-OCTADECYL-2-METHYL- (ALP)

>  <dtpname:Chemical Name>
3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide

$$$$
363998
  CML DOM 09261310252D

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M  END
>  <NSC>
363998

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H32N4O4.2ClH

>  <Molecular Weight (nearest integer)>
513

>  <dtpname:Chemical Name>
Anthracene-9,10-dione, 1,5-bis[3-[[(2-hydroxyethyl)amino] propyl]amino]-9,10-dihydro-, dihydrochloride

$$$$
640637
  CML DOM 09261310252D

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M  END
>  <NSC>
640637

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C31H24N6S

>  <Molecular Weight (nearest integer)>
513

$$$$
657457
  CML DOM 09261310252D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
657457

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H19BrN4O4S2

>  <Molecular Weight (nearest integer)>
547

$$$$
671394
  CML DOM 09261310252D

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M  END
>  <NSC>
671394

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
128944-81-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H31N5O3S

>  <Molecular Weight (nearest integer)>
566

>  <dtpname:Chemical Name>
1-p-Anisyl-3-(N,N-dimethyl-p-aminophenyl)-4,5-bis(p-anisylimino)imidazolidin-2-thione

$$$$
703550
  CML DOM 09261310252D

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M  END
>  <NSC>
703550

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H29N7O

>  <Molecular Weight (nearest integer)>
492

$$$$
65104
  CML DOM 09261310252D

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M  END
>  <NSC>
65104

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
62362-59-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H51N7O7

>  <Molecular Weight (nearest integer)>
622

>  <dtpname:Chemical Name>
Septacidin

>  <dtpname:Chemical Name>
SEPTACIDIN

>  <dtpname:Chemical Name>
SEPTACIDIN

>  <dtpname:Chemical Name>
B 17325K008

>  <dtpname:Chemical Name>
Squibb antibiotic 1325

>  <dtpname:Chemical Name>
Crystalline Antibiotic

>  <dtpname:Chemical Name>
Crystalline Antibiotic (B-17325)

>  <dtpname:Chemical Name>
L-glycero-.beta.-L-gluco-Heptopyranosylamine, 4-deoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-purin-6-yl-

$$$$
109350
  CML DOM 09261310252D

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M  END
>  <NSC>
109350

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C45H58N4O7

>  <Molecular Weight (nearest integer)>
767

>  <dtpname:Chemical Name>
Emetine, N-(N-carboxy-L-tryptophyl)-, N-tert-butyl ester

>  <dtpname:Chemical Name>
Carbamic acid, [1-(1H-indol-3-ylmethyl)-2-oxo-2-[(6',7',10,11-tetramethoxyemetan-2'-yl)ethyl]-, 1,1-dimethylethyl ester, [2'(S)]-

$$$$
116693
  CML DOM 09261310252D

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M  CHG  2  15   1  38  -1
M  END
>  <NSC>
116693

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H21S.C18H13O8

>  <Molecular Weight (nearest integer)>
663

$$$$
243023
  CML DOM 09261310252D

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 46 60  1  0  0  0  0
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 18 62  1  0  0  0  0
 15 63  1  0  0  0  0
M  END
>  <NSC>
243023

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Inconsistent with Molecular Formula - no structure mapped to ClH from C42H51NO16.ClH

>  <Molecular Formula in DIS>
C42H51NO16.ClH

>  <Molecular Weight (nearest integer)>
862

>  <dtpname:Chemical Name>
CINERUBIN B HCL

>  <dtpname:Chemical Name>
CINERUBIN B HYDROCHLORIDE

>  <dtpname:Chemical Name>
Cinerubin B hydrochloride

>  <dtpname:Chemical Name>
Cinerubine B, hydrochloride

$$$$
332598
  CML DOM 09261310252D

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 55 33  1  6  0  0  0
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 46 48  1  0  0  0  0
M  END
>  <NSC>
332598

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
90996-54-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C35H47NO9

>  <Molecular Weight (nearest integer)>
626

>  <dtpname:Chemical Name>
RHIZOXIN

>  <dtpname:Chemical Name>
RHIZOXIN

>  <dtpname:Chemical Name>
4,7,12,18-Tetraoxatetracyclo[15.3.1.03,5.011,13] heneicos-14-ene-6,19-dione, 10-hydroxy-8-[2-methoxy- 1,3,7-trimethyl-8-(2-methyl-4-oxazolyl)-3,5,7- octatrienyl]-11,16-dimethyl-, [1S-[1R*,3R*,5S*, 8R*(1R*,2S*,3E,5E,7E),10R*,11S*,13S*,14E,16S*,17S*]]-

>  <dtpname:9th C.I.>
Rhizoxin

$$$$
624953
  CML DOM 09261310252D

 43 46  0  0  0  0  0  0  0  0999 V2000
   10.1178   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1178   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3187    1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  1  0  0  0  0
M  END
>  <NSC>
624953

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C36H48O6Si

>  <Molecular Weight (nearest integer)>
605

>  <dtpname:Chemical Name>
Allyl 2,3,4-tri-O-benzyl-6-O-(tert-butyldimethylsilyl)- .alpha.-D-glucopyranoside

$$$$
677392
  CML DOM 09261310252D

 61 66  0  0  0  0  0  0  0  0999 V2000
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 40 56  1  0  0  0  0
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 44 45  2  0  0  0  0
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 50 51  2  0  0  0  0
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 51 52  1  0  0  0  0
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 53 60  1  0  0  0  0
 54 55  2  0  0  0  0
 58 59  1  0  0  0  0
 60 61  1  0  0  0  0
M  END
>  <NSC>
677392

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C40H36N10O10S

>  <Molecular Weight (nearest integer)>
849

$$$$
76027
  CML DOM 09261310252D

 70 76  0  0  0  0  0  0  0  0999 V2000
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 11 70  1  0  0  0  0
M  END
>  <NSC>
76027

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Inconsistent with Molecular Formula - no structure mapped to Na from C39H27N5O15S5.4Na

>  <Molecular Formula in DIS>
C39H27N5O15S5.4Na

>  <Molecular Weight (nearest integer)>
1058

>  <dtpname:Chemical Name>
1,3-Naphthalenedisulfonic acid, 6-hydroxy-5-[[4-[[[4-[[4- [(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]phenyl]thio] phenyl]amino]carbonyl]phenyl]azo]-, tetrasodium salt

$$$$
325319
  CML DOM 09261310252D

 82 85  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
325319

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
77327-05-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C57H89N7O15

>  <Molecular Weight (nearest integer)>
1112

>  <dtpname:Chemical Name>
DIDEMNIN B

>  <dtpname:Chemical Name>
DIDEMNIN B

>  <dtpname:Chemical Name>
Didemnin B

>  <dtpname:9th C.I.>
15H-Pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotri- cosine, cyclic peptide deriv.

>  <dtpname:9th C.I.>
L-Tyrosine, N-[1-[N-[4-[[3-hydroxy-4-[[N-[N-[1-(2-hydroxy-1-oxopropyl)- L-prolyl]-N-methyl-L-leucyl]-L-threonyl]amino-5-methyl- 1-oxoheptyl]oxy]-2,5-dimethyl-1,3-dioxohexyl]-L-leucyl]- L-prolyl]-N,O-dimethyl-, .phi.-lactone

$$$$
3053
  CML DOM 09261310252D

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    3.5236  -19.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7498  -15.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4199  -17.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1971  -12.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5270  -10.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0798  -13.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8931  -17.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703  -12.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 30  1  0  0  0  0
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 61 66  1  0  0  0  0
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 63 72  1  0  0  0  0
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 64 71  1  0  0  0  0
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 65 76  2  0  0  0  0
 65 89  1  0  0  0  0
 66 73  1  0  0  0  0
 66 77  2  0  0  0  0
 67 78  2  0  0  0  0
 67 80  1  0  0  0  0
 68 85  1  0  0  0  0
 68 86  1  0  0  0  0
 69 82  1  0  0  0  0
 69 83  1  0  0  0  0
 70 79  2  0  0  0  0
 70 90  1  0  0  0  0
 71 87  1  0  0  0  0
 72 84  1  0  0  0  0
M  END
>  <NSC>
3053

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
50-76-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C62H86N12O16

>  <Molecular Weight (nearest integer)>
1255

>  <dtpname:USAN>
Dactinomycin

>  <dtpname:Brand Name>
Cosmegen

>  <dtpname:Chemical Name>
Actinomycin D

>  <dtpname:Chemical Name>
Antibiotic from Streptomyces parvullus

>  <dtpname:Chemical Name>
Oncostatin K

>  <dtpname:Chemical Name>
Actinomycin 7

>  <dtpname:Chemical Name>
Meractinomycin

>  <dtpname:Chemical Name>
Actinomycin IV

>  <dtpname:Chemical Name>
Dactinomycin D

>  <dtpname:Chemical Name>
Lyovac cosmegen

>  <dtpname:Chemical Name>
Actinomycin AIV

>  <dtpname:Chemical Name>
Actinomycin X 1

>  <dtpname:Chemical Name>
Actinomycin I(sub1)

>  <dtpname:Chemical Name>
Actactinomycin A IV

>  <dtpname:Chemical Name>
Actinomycin C(sub1)

>  <dtpname:Chemical Name>
Actinomycin I (sub1)

>  <dtpname:Chemical Name>
Actinomycin C (sub1)

>  <dtpname:Chemical Name>
Dilactone actinomycin D acid

>  <dtpname:Chemical Name>
Dilactone actinomycindioic D acid

>  <dtpname:Chemical Name>
Actinomycindioic D acid, dilactone

>  <dtpname:Chemical Name>
Actinomycin-[threo-val-pro-sar-meval]

>  <dtpname:Chemical Name>
3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis[hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4,6-dimethyl-3-oxo-

>  <dtpname:Chemical Name>
Specific stereoisomer of N,N'-[(2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis[carbonylimino(2-hydroxypropylidene)carbonyliminoisobutylidenecarbonyl-1,2-pyrrolidinediylcarbonyl(methylimino)methylenecarbonyl]]bis[N-methyl-L-valine] dilactone

>  <dtpname:Chemical Name>
L-Valine, N,N'-[(2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis[carbonylimino[2-(1-hydroxyethyl)-1-oxo-2,1-ethanediyl]imino[2-(1-methylethyl)-1-oxo-2,1-ethanediyl]-1,2-pyrrolidinediylcarbonyl(methylimino)(1-oxo-2,1-ethanediyl)]]bis[N-methyl-, di-.xi.-lactone

>  <dtpname:Chemical Name>
X 97

>  <dtpname:Chemical Name>
ACTO-D

>  <dtpname:Chemical Name>
HBF 386

>  <dtpname:Chemical Name>
C1

>  <dtpname:Chemical Name>
NSC-3053

>  <dtpname:Chemical Name>
NCI-C04682

>  <dtpname:Chemical Name>
ACTINOMYCIN D

>  <dtpname:Chemical Name>
WLN: 16- AN FVN IVN LVO PVM SVTJ G1 J1 KY1&1 N1 RY1&1

>  <dtpname:Chemical Name>
WLN: TC666 BO EV INJ D1 FZ N1 GVM- OT5-16- AN FVN IVN LVO PVM SVTJ G1 J1 KY1&1 N1 RY1&1& KVM- OT5-

>  <dtpname:9th C.I.>
Actinomycin D

>  <dtpname:8th C.I.>
Actinomycin D

>  <dtpname:VAN>
AD

$$$$
192965
  CML DOM 09261310252D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.3086    2.0490    0.0000 Ge  0  0  0  0  0  0  0  0  0  0  0  0
    8.6169    2.7990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1903    3.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3086    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5586    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1903    0.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5586    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6169    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    3.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8740    5.7239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8304    3.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2007    3.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4142    3.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7846    3.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9981    4.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9414    1.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <NSC>
192965

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
41992-22-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H36GeN2.2ClH

>  <Molecular Weight (nearest integer)>
499

>  <dtpname:Chemical Name>
SG

>  <dtpname:Chemical Name>
S 99 A

>  <dtpname:Chemical Name>
Spiro 32

>  <dtpname:Chemical Name>
Spirogermanium compound

>  <dtpname:Chemical Name>
SPRIOGERMANIUM HYDROCHLORIDE

>  <dtpname:Chemical Name>
Spirogermanium hydrochloride

>  <dtpname:Chemical Name>
2-Aza-8-germaspiro[4.5]decane-2-propanamine, 8,8-diethyl-N,N-dimethyl-, dihydrochloride

$$$$
276299
  CML DOM 09261310252D

 33 38  0  0  0  0  0  0  0  0999 V2000
  -14.3491   -6.4737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0501   -5.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7510   -6.4737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0501   -4.2237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4520   -5.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.1530   -3.4737    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -2.1358   -2.2372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3316   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7442   -5.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6192   -8.1661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0223   -1.8622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2760   -0.8348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1369   -7.1572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3491   -3.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3491   -7.9737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6482   -5.7237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  8  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 17 15  1  0  0  0  0
 19 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 19 27  1  0  0  0  0
 14 28  1  0  0  0  0
  9 29  1  0  0  0  0
  7 30  1  0  0  0  0
  4 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
M  CHG  2  11   1  13   1
M  END
>  <NSC>
276299

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for C10H12N10PtS2++ in C10H8N10PtS2

>  <Molecular Formula in DIS>
C10H8N10PtS2

>  <Molecular Weight (nearest integer)>
527

>  <dtpname:Chemical Name>
Platinum, bis(2-amino-1,9-dihydro-6H-purine-6-thionato-N7,S6)-

$$$$
136044
  CML DOM 09261310252D

 50 55  0  0  0  0  0  0  0  0999 V2000
  -13.4919   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4919  -11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9967  -13.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2958   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2958  -11.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9968   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6977   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3987   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3987   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6977   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9968   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2958   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9967   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5948   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8939   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1929   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4919   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7910   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 40 42  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
>  <NSC>
136044

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
23666-50-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C36H48N2O12

>  <Molecular Weight (nearest integer)>
701

>  <dtpname:Chemical Name>
RHODOMYCIN A

>  <dtpname:Chemical Name>
Rhodomycin A

$$$$
248436
  CML DOM 09261310252D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.5265   13.3495    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6756   12.3854    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    6.5360   13.6141    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    5.3649   10.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 14 12  1  0  0  0  0
 20 18  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 19 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 12 29  1  0  0  0  0
  5 30  1  0  0  0  0
M  CHG  1   4   1
M  END
>  <NSC>
248436

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57588-03-1

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for C10H14Br2N5O4PtS+ in C10H13Br2N5O4PtS

>  <Molecular Formula in DIS>
C10H13Br2N5O4PtS

>  <Molecular Weight (nearest integer)>
654

>  <dtpname:9th C.I.>
Guanosine, 6-thio-, platinum complex

>  <dtpname:9th C.I.>
Platinum, dibromo(6-thioguanosine-N7,S6)-, (SP-4-3)-

$$$$
337851
  CML DOM 09261310252D

 53 59  0  0  0  0  0  0  0  0999 V2000
  -10.6150   -3.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0812   -3.3947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2022   -1.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4393   -0.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 34  2  0  0  0  0
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 30  5  1  6  0  0  0
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 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  6  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 36  1  0  0  0  0
 31 32  1  0  0  0  0
 31 35  1  0  0  0  0
 31 39  1  6  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 37  1  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
 36 38  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
M  END
>  <NSC>
337851

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
83759-46-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C40H45N3O6S

>  <Molecular Weight (nearest integer)>
696

>  <dtpname:Chemical Name>
PREDORINE

>  <dtpname:Chemical Name>
Predorine

>  <dtpname:Chemical Name>
Pregna-1,4-diene-3,11,20-trione, 21-[[[[3,6-bis(dimethylamino)-9-acridinyl]thio]acetyl]oxy]-17-hydroxy-

$$$$
625331
  CML DOM 09261310252D

 33 34  0  0  0  0  0  0  0  0999 V2000
   -3.2572    8.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5563    8.0240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5563    6.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2572    5.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9582    6.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9582    8.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
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M  END
>  <NSC>
625331

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H25N5.3C4H4O4

>  <Molecular Weight (nearest integer)>
660

$$$$
688363
  CML DOM 09261310252D

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M  END
>  <NSC>
688363

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C38H48N8O6

>  <Molecular Weight (nearest integer)>
713

$$$$
90636
  CML DOM 09261310252D

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 60 61  2  0  0  0  0
 60 62  1  0  0  0  0
 60 63  2  0  0  0  0
 60 64  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  2  0  0  0  0
 66 68  1  0  0  0  0
M  END
>  <NSC>
90636

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C46H56N4O9.H2O4S

>  <Molecular Weight (nearest integer)>
907

>  <dtpname:USAN>
Vinleurosine Sulfate

>  <dtpname:USAN>
Vinleurosine sulfate

>  <dtpname:Chemical Name>
Lilly 32645

>  <dtpname:Chemical Name>
Leurosine, sulfate

>  <dtpname:Chemical Name>
VINCALEUCOBLASTINE

>  <dtpname:Chemical Name>
Alkaloid isolated from Madagascar periwinkle

$$$$
363182
  CML DOM 09261310252D

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 81 83  1  0  0  0  0
 83 84  1  0  0  0  0
  6  8  1  0  0  0  0
 12 16  1  0  0  0  0
 27 33  2  0  0  0  0
 31 37  1  0  0  0  0
 35 40  1  0  0  0  0
 46 51  1  0  0  0  0
 54 59  1  0  0  0  0
 70 72  1  0  0  0  0
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  1 85  1  0  0  0  0
 29 86  1  0  0  0  0
 57 87  1  0  0  0  0
 63 88  1  0  0  0  0
 71 89  1  0  0  0  0
 80 90  1  0  0  0  0
M  CHG  2  49   1  55  -1
M  END
>  <NSC>
363182

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C61H90N2O21

>  <Molecular Weight (nearest integer)>
1187

>  <dtpname:Chemical Name>
U-64815

>  <dtpname:Chemical Name>
ANTIBIOTIC 382B

>  <dtpname:Chemical Name>
KIJANIMICIN DERIV

>  <dtpname:Chemical Name>
Kijanimicin, 3(B)-O-de(2,6-dideoxy-.alpha.-L-ribo-hexopyranosyl)-

$$$$
18268
  CML DOM 09261310252D

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110113  1  0  0  0  0
111113  1  0  0  0  0
112113  1  0  0  0  0
M  END
>  <NSC>
18268

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - R#(a11) connected atoms =[ C ]

>  <Molecular Formula in DIS>
C64H90N12O16.C63H88N12O16.C62H86N12O16

>  <Molecular Weight (nearest integer)>
3808

>  <dtpname:USAN>
Dactinomycin

>  <dtpname:Chemical Name>
Kaken

>  <dtpname:Chemical Name>
HBF 386

>  <dtpname:Chemical Name>
Sanamycin

>  <dtpname:Chemical Name>
Hizarocin

>  <dtpname:Chemical Name>
Naramycin

>  <dtpname:Chemical Name>
CACTINOMYCIN

>  <dtpname:Chemical Name>
Cactinomycin

>  <dtpname:Chemical Name>
Ba A-7783NIK

>  <dtpname:Chemical Name>
ACTINOMYCIN C

>  <dtpname:Chemical Name>
Cycloheximide

>  <dtpname:Chemical Name>
Actinomycin C

>  <dtpname:Chemical Name>
Cyclohexamide

>  <dtpname:Chemical Name>
Actinochrysin

>  <dtpname:Chemical Name>
Cyclohemimide

>  <dtpname:Chemical Name>
Antibiotic from Streptomyces chrysomallus

$$$$
219734
  CML DOM 09261310252D

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 29 31  1  0  0  0  0
 30 35  1  0  0  0  0
 31 38  1  0  0  0  0
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 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <NSC>
219734

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57780-57-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H34N4

>  <Molecular Weight (nearest integer)>
499

>  <dtpname:9th C.I.>
1,8-Octanediamine, N,N'-di-9-acridinyl-

$$$$
641240
  CML DOM 09261310252D

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 34 35  2  0  0  0  0
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 36 37  1  0  0  0  0
M  END
>  <NSC>
641240

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H20N2O7

>  <Molecular Weight (nearest integer)>
496

$$$$
145366
  CML DOM 09261310252D

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 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
M  END
>  <NSC>
145366

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C37H62N2O4.2ClH

>  <Molecular Weight (nearest integer)>
672

>  <dtpname:Chemical Name>
2-Propanol, 1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-[(1,1,3,3-tetramethylbutyl)amino]-, dihydrochloride

$$$$
265450
  CML DOM 09261310252D

 52 58  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 22 27  2  0  0  0  0
 23 27  1  0  0  0  0
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 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 29  2  0  0  0  0
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 26 30  1  0  0  0  0
 27 48  1  0  0  0  0
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 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
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 35 37  1  0  0  0  0
 44 45  1  0  0  0  0
 49 50  1  0  0  0  0
 51 52  1  0  0  0  0
M  END
>  <NSC>
265450

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C37H47NO14

>  <Molecular Weight (nearest integer)>
730

>  <dtpname:Chemical Name>
U 51204

>  <dtpname:Chemical Name>
Nogamycin

>  <dtpname:Chemical Name>
Disnogamycin

>  <dtpname:Chemical Name>
NOGALOMYCIN C

>  <dtpname:Chemical Name>
Nogalomycin C

>  <dtpname:Chemical Name>
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 11-[(6- deoxy 3-C-methyl-2,3,4-tri-O-methyl-.alpha.-L-manno pyranosyl)oxy]-4-(dimethylamino)- 3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy- 6,13-dimethyl-

$$$$
353527
  CML DOM 09261310252D

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   17.3699    3.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8123    8.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2710    9.0154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8109   -0.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
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 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
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 24 16  1  0  0  0  0
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 26 18  1  0  0  0  0
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 28 20  1  0  0  0  0
 29 21  1  0  0  0  0
 30 22  1  0  0  0  0
 31 23  1  0  0  0  0
 32 25  1  0  0  0  0
 33 27  1  0  0  0  0
 34 29  2  0  0  0  0
 35 29  1  0  0  0  0
 36 30  3  0  0  0  0
 37 34  1  0  0  0  0
 38 35  2  0  0  0  0
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 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 31 24  1  0  0  0  0
 32 26  1  0  0  0  0
 33 28  1  0  0  0  0
 39 38  1  0  0  0  0
 21 43  1  0  0  0  0
 10 44  1  0  0  0  0
M  CHG  6   8   4  10  -1  11  -1  12  -1  13  -1  22  -1
M  END
>  <NSC>
353527

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Sn(a8) connected atoms =[ O Cl C C C ]

>  <Molecular Formula in DIS>
C28H25ClN3O2Sn.C6H15N.H

>  <Molecular Weight (nearest integer)>
692

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-353527

>  <dtpname:Chemical Name>
Tin(IV), chlorotriphenyl[1-(4-ethoxyphenyl)- 3-cyanoureato]-, hydrogen, triethylamine

$$$$
625873
  CML DOM 09261310252D

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 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 38  1  0  0  0  0
 26 27  1  0  0  0  0
 26 34  1  0  0  0  0
 27 28  1  0  0  0  0
 27 33  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 33 43  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
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 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
M  END
>  <NSC>
625873

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C31H33N3O10S

>  <Molecular Weight (nearest integer)>
640

$$$$
7532
  CML DOM 09261310252D

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 40 43  1  0  0  0  0
 41 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 49 52  1  0  0  0  0
 50 53  1  0  0  0  0
 51 54  1  0  0  0  0
 52 55  1  0  0  0  0
 54 56  1  0  0  0  0
 54 57  2  0  0  0  0
 55 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  1  0  0  0  0
 59 61  1  0  0  0  0
 60 62  1  0  0  0  0
 60 63  1  0  0  0  0
 61 64  1  0  0  0  0
 61 65  1  0  0  0  0
 63 66  1  0  0  0  0
 64 67  1  0  0  0  0
 65 68  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 14 17  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 32 34  1  0  0  0  0
 41 43  1  0  0  0  0
 50 52  1  0  0  0  0
 63 65  1  0  0  0  0
  1 69  1  0  0  0  0
 33 70  1  0  0  0  0
 42 71  1  0  0  0  0
 62 72  1  0  0  0  0
 66 73  1  0  0  0  0
 67 74  1  0  0  0  0
 68 75  1  0  0  0  0
M  END
>  <NSC>
7532

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17575-20-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C49H76O19

>  <Molecular Weight (nearest integer)>
969

>  <dtpname:Chemical Name>
Adigal

>  <dtpname:Chemical Name>
Digilanide A

>  <dtpname:Chemical Name>
LANATOSIDE A

>  <dtpname:9th C.I.>
Card-20(22)-enolide, 3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-O-3-O-acetyl-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-

>  <dtpname:8th C.I.>
Lanatoside A

$$$$
107412
  CML DOM 09261310252D

 82 90  0  0  0  0  0  0  0  0999 V2000
    8.0646   18.8938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9499   19.8975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5505   13.9476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240   12.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6709   10.7774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0444    9.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4927   15.4020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9193   15.8656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0395    8.2338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6376    8.2338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4318    8.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8338    8.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6376   11.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3386   10.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9366   10.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2357   11.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5347   10.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5347    8.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9366    8.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3386    8.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2357    8.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8911   13.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3993   13.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7728   12.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5176   14.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0259   14.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1627   10.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7892   11.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4158   13.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2974   11.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1165   15.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3665   13.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3702   12.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7405   13.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423   14.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6524   15.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7707   16.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688   15.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789   16.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1328    8.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1328   10.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4318   11.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7309    8.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7309   10.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4827   19.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7327   20.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7364   21.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1067   21.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1328   14.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3463   15.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8828   17.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3828   17.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4057   22.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726   18.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7543   17.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   18.0585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3973   17.7449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074   19.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8229   15.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1606   15.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1442   15.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6873   10.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5012   14.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2646   12.4613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8747   13.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9930   15.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583   11.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5837   14.9756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.5011   18.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0395   12.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3385   13.4838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0395   11.2338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.1328   13.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8337   12.7339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4318   12.7339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0299   11.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0299   12.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6376   12.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4318    9.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0299    8.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2357    6.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8337   11.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 45  1  0  0  0  0
  2 48  1  0  0  0  0
  3 35  1  0  0  0  0
  3 38  1  0  0  0  0
  4 29  1  0  0  0  0
  4 35  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 27  2  0  0  0  0
  7  8  1  0  0  0  0
  8 49  1  0  0  0  0
  8 52  1  0  0  0  0
  9 20  2  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 40  1  0  0  0  0
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 12 18  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 78  1  0  0  0  0
 14 20  1  0  0  0  0
 14 72  1  0  0  0  0
 15 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 21 81  1  0  0  0  0
 22 24  2  0  0  0  0
 22 23  1  0  0  0  0
 22 63  1  0  0  0  0
 23 25  2  0  0  0  0
 23 28  1  0  0  0  0
 24 27  1  0  0  0  0
 24 64  1  0  0  0  0
 25 26  1  0  0  0  0
 26 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 30 62  1  0  0  0  0
 31 32  2  0  0  0  0
 31 68  1  0  0  0  0
 32 33  1  0  0  0  0
 32 65  1  0  0  0  0
 33 34  2  0  0  0  0
 33 67  1  0  0  0  0
 34 68  1  0  0  0  0
 34 70  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 61  1  0  0  0  0
 37 39  1  0  0  0  0
 37 56  1  0  0  0  0
 38 39  1  0  0  0  0
 38 59  1  0  0  0  0
 38 60  1  0  0  0  0
 39 57  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 82  1  0  0  0  0
 42 44  1  0  0  0  0
 42 75  1  0  0  0  0
 43 44  1  0  0  0  0
 43 79  1  0  0  0  0
 43 80  1  0  0  0  0
 44 76  1  0  0  0  0
 45 46  2  0  0  0  0
 45 54  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 53  1  0  0  0  0
 49 50  2  0  0  0  0
 49 73  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 69  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 57 58  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  2  0  0  0  0
 70 71  2  0  0  0  0
 70 72  1  0  0  0  0
 73 74  2  0  0  0  0
 73 75  1  0  0  0  0
 76 77  1  0  0  0  0
M  END
>  <NSC>
107412

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
4434-05-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C55H59N5O20

>  <Molecular Weight (nearest integer)>
1110

>  <dtpname:USAN>
Coumermycin

>  <dtpname:USAN>
Coumermycin

>  <dtpname:Chemical Name>
Notomycin

>  <dtpname:Chemical Name>
Notomycin A1

>  <dtpname:Chemical Name>
Coumermycin A1

>  <dtpname:Chemical Name>
Sugordomycin D-la

>  <dtpname:9th C.I.>
1H-Pyrrole-2-carboxylic acid, 5-methyl-, diester with N,N'-bis[7-[(6-deoxy-5-C-methyl-4-O-methyl-.alpha.-L-lyxo-hexopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-3-methyl-1H-pyrrole-2,4-dicarboxamide

>  <dtpname:8th C.I.>
Pyrrole-2-carboxylic acid, 5-methyl-, diester with 3,3'-[(3-methylpyrrole-2,4-diyl)bis(carbonylimino)]bis[7-[(5,5-di-C-methyl-4-O-methyl-.alpha.-L-lyxopyranosyl)oxy]-4-hydroxy-8-methylcoumarin]

>  <dtpname:VAN>
Coumamycin

$$$$
526417
  CML DOM 09261310252D

 81 86  0  0  0  0  0  0  0  0999 V2000
   15.0882   14.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5470   18.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5182    7.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0561    8.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7376   24.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3285   23.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4453   14.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2607   19.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2154   21.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5386   18.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2459    7.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0882   27.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1374    6.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8657   21.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8382   13.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8416   17.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
526417

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
512-64-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C51H64N12O12S2

>  <Molecular Weight (nearest integer)>
1101

>  <dtpname:Chemical Name>
Levomycin

>  <dtpname:Chemical Name>
ECHINOMYCIN

>  <dtpname:Chemical Name>
ECHINOMYCIN

>  <dtpname:Chemical Name>
Echinomycin A

>  <dtpname:Chemical Name>
S-426-S (Lepetit)

>  <dtpname:Chemical Name>
2-Quinoxalinecarboxmide, N,N'-[2,4,12,15,17,25-hexamethyl-11,24-bis(1-methylethyl) -27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa -28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosan e-7,20-diyl]bis-

>  <dtpname:Chemical Name>
WLN: T C-16-6-16-/CE& A B C- C- 2CP E& AS CX C-S DNV GMV KOV NNV PXNV TMV A&OV D&NVTJ D1

>  <dtpname:9th C.I.>
Quinomycin A

>  <dtpname:8th C.I.>
Echinomycin

$$$$
361813
  CML DOM 09261310252D

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M  END
>  <NSC>
361813

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H36N6O4

>  <Molecular Weight (nearest integer)>
497

>  <dtpname:Chemical Name>
4,8-Ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole- 1,3,5,7(2H,6H)-tetrone, 3a,3b,4,4a,7a,8,8a,8b-octahydro- 2,6-bis[(4-methyl-1-piperazinyl)methyl]-

$$$$
700582
  CML DOM 09261310252D

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M  END
>  <NSC>
700582

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H36N4S6

>  <Molecular Weight (nearest integer)>
549

>  <dtpname:Chemical Name>
[1,2,3,4]tetrathiocino[5,6-d:7,8-d']diimidazole -2,9-dithione, 1,3,8,10-tetrabutyl-1,2,3,8,9,10-hexahydro-

$$$$
641245
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   15.3139   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3139   -3.4755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1178   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -3.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -1.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    0.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 11  2  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  2  0  0  0  0
 30 31  1  0  0  0  0
 30 35  2  0  0  0  0
 31 32  1  0  0  0  0
 31 36  2  0  0  0  0
 32 33  2  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 33 40  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
>  <NSC>
641245

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H17ClN2O7

>  <Molecular Weight (nearest integer)>
553

>  <dtpname:Chemical Name>
Benzenebutanamide, N-(3-chloro-1,4-dihydro-1,4-dioxo- 2-naphthalenyl)-.alpha.,.gamma.-dioxo-2-(3,4-dihydro- 3,4-dioxo-2-naphthalenyl)-

$$$$
153858
  CML DOM 09261310252D

 51 54  0  0  0  0  0  0  0  0999 V2000
   -0.6665    8.8713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990    7.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6623    6.5005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6017   11.8807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724   10.5390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1805    2.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0027    7.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2595    3.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6494    5.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1576    5.3975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6298    4.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311    6.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5935    7.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0238    9.8850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8143    9.1358    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9999   14.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990   13.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3926   12.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0185   11.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617    9.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0807    9.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9055   12.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0202   11.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5320   11.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1990    7.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3137    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0202   10.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0238   11.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6128    6.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4945    7.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9210    7.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2201    8.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7119    8.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143    9.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4320    5.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7386    3.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596    2.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3757    4.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4730    2.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5433    1.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568   11.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8077   12.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692   13.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3377    8.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6881   15.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5156    9.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3905   12.5185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5473   14.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  2  0  0  0  0
  2 28  1  0  0  0  0
  2 37  1  0  0  0  0
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  5 22  1  0  0  0  0
  5 37  1  0  0  0  0
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  6 39  1  0  0  0  0
  6 43  1  0  0  0  0
 33  7  1  0  0  0  0
 32  7  1  1  0  0  0
  8 11  1  1  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  2  0  0  0  0
 34 12  1  6  0  0  0
 13 36  2  0  0  0  0
 14 31  1  0  0  0  0
 14 36  1  0  0  0  0
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 15 30  1  0  0  0  0
 16 18  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  6  0  0  0
 22 24  1  0  0  0  0
 22 44  1  6  0  0  0
 23 27  2  0  0  0  0
 23 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 26 30  1  0  0  0  0
 26 50  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 32  1  0  0  0  0
 29 38  1  6  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 47  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 45 46  1  0  0  0  0
 50 51  1  0  0  0  0
M  END
>  <NSC>
153858

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
35846-53-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H46ClN3O10

>  <Molecular Weight (nearest integer)>
692

>  <dtpname:Chemical Name>
MTS

>  <dtpname:Chemical Name>
Maysanine

>  <dtpname:Chemical Name>
Maytansin

>  <dtpname:Chemical Name>
MAYTANSINE

>  <dtpname:Chemical Name>
NSC 153858

>  <dtpname:Chemical Name>
MAYTANSINE

>  <dtpname:Chemical Name>
MAYTANSINE

>  <dtpname:Chemical Name>
Maitansine

>  <dtpname:Chemical Name>
Maytansine

>  <dtpname:Chemical Name>
Alanine, N-acetyl-N-methyl-, 6-ester with 11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1(10,24).0(3,5)]hexacosa-10,12,14[26],16,18-pentaene-8,23-dione

>  <dtpname:Chemical Name>
L-Alanine, N-acetyl-N-methyl-, 11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl ester, [1S-(1R*,2S*,3R*,5R*,6R*,16E,18E,20S*,21R*)]-

>  <dtpname:9th C.I.>
Maytansine(USAN

>  <dtpname:9th C.I.>
Maytansine (USAN)

$$$$
268242
  CML DOM 09261310252D

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    4.6471    9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7046    4.1491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2452    9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
M  END
>  <NSC>
268242

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
70878-51-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C41H41NO10.ClH

>  <Molecular Weight (nearest integer)>
744

>  <dtpname:Chemical Name>
ANTINEOPLASTIC-268242

>  <dtpname:Chemical Name>
N,N-DIBENZYLDAUNORUBICIN HYDROCHLORIDE

>  <dtpname:Chemical Name>
N,N-Dibenzyldaunorubicin hydrochloride

>  <dtpname:Chemical Name>
5,12-Naphthacenedione, 8-acetyl-10-[[3-[bis(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-

>  <dtpname:Chemical Name>
5,12-Naphthacenedione, 8-acetyl-10-[[3-[bis-(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride, (8S-cis)-

>  <dtpname:9th C.I.>
5,12-Naphthacenedione, 8-acetyl-10-[[3-[bis(phenylmethyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,hydrochloride, (8S-cis)-

$$$$
359463
  CML DOM 09261310252D

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 21 22  1  0  0  0  0
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 24 25  2  0  0  0  0
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 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 38 39  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <NSC>
359463

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H38N6O4.2ClH

>  <Molecular Weight (nearest integer)>
644

$$$$
640335
  CML DOM 09261310252D

 41 45  0  0  0  0  0  0  0  0999 V2000
    1.2444    5.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444    5.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4944    4.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    4.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944    6.7006    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0056    4.1025    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9944    4.1025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7444    5.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 40  1  0  0  0  0
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M  CHG  4  36   1  37  -1  39   1  40  -1
M  END
>  <NSC>
640335

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H18Cl2N6O6S

>  <Molecular Weight (nearest integer)>
613

>  <dtpname:Chemical Name>
2-Propen-1-one, 1-[2-[(3,4-dichlorophenyl)amino]- 4-methyl-5-thiazolyl]-3-(5-benzodioxolyl)-, (2,4-nitrophenyl)hydrazone

$$$$
24559
  CML DOM 09261310252D

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 46 71  1  0  0  0  0
 47 48  1  0  0  0  0
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 48 72  1  0  0  0  0
 48 77  1  0  0  0  0
 50 51  1  0  0  0  0
 50 55  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 65  1  0  0  0  0
 53 54  1  0  0  0  0
 53 66  1  0  0  0  0
 54 55  1  0  0  0  0
 54 62  1  0  0  0  0
 56 57  1  0  0  0  0
 56 61  1  0  0  0  0
 56 62  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
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 59 60  1  0  0  0  0
 59 73  1  0  0  0  0
 60 61  1  0  0  0  0
 60 63  1  0  0  0  0
M  END
>  <NSC>
24559

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
18378-89-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C52H76O24

>  <Molecular Weight (nearest integer)>
1085

>  <dtpname:USAN>
Plicamycin

>  <dtpname:USAN>
Mithramycin

>  <dtpname:Brand Name>
Mithracin

>  <dtpname:Chemical Name>
Aurelic acid

>  <dtpname:Chemical Name>
Mithramycin A

>  <dtpname:Chemical Name>
Aureolic acid

>  <dtpname:Chemical Name>
Antibiotic LA 7017

>  <dtpname:Chemical Name>
1(2H)-Anthracenone, 6-[[2,6-dideoxy-3-O-(2,6-dideoxy-.beta.-D-arabino-hexo pyranosyl)-.beta.-D-arabino-hexopyranosyl]oxy]-2-[(O-2,6- dideoxy-3-C-methyl-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4) -O-2,6-dideoxy-.alpha.-D-lyxo-hexopyranosyl-(1.fwdarw.3) -2,6-dideoxy-.beta.-D-arabino-hexopyranosyl)oxy]-3-(3,4- dihydroxy-1-methoxy-2-oxopentyl)-3,4-dihydro-8,9-dihydroxy- 7-methyl-, [2S-[2.alpha.,3.beta.(1R*,3R*,4S*)]]-

>  <dtpname:Chemical Name>
PA-144

>  <dtpname:Chemical Name>
A-2371

>  <dtpname:Chemical Name>
Mitramycin

>  <dtpname:Chemical Name>
MITHRAMYCIN

>  <dtpname:9th C.I.>
Mithramycin

>  <dtpname:8th C.I.>
Mithramycin

$$$$
115493
  CML DOM 09261310252D

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M  END
>  <NSC>
115493

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H44O8.C27H44O7

>  <Molecular Weight (nearest integer)>
977

>  <dtpname:Chemical Name>
Polypodine A, mixt. with Polypodine B

$$$$
603169
  CML DOM 09261310252D

 63 69  0  0  0  0  0  0  0  0999 V2000
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 58 59  1  0  0  0  0
 58 60  2  0  0  0  0
 58 61  2  0  0  0  0
M  CHG  3   7   1  41   1  59  -1
M  END
>  <NSC>
603169

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C42H36N8O2.2C7H7O3S

>  <Molecular Weight (nearest integer)>
1027

>  <dtpname:Chemical Name>
Imidazo[1,2-a]pyridinium, 2,2'-[1,4-phenylenebis(carbonyl- 2-hydrazinyl-1-ylidene-2-propenylidene-4,1-phenylene)]bis [1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)

$$$$
641250
  CML DOM 09261310252D

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M  END
>  <NSC>
641250

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H16Cl2N2O5

>  <Molecular Weight (nearest integer)>
507

$$$$
52141
  CML DOM 09261310252D

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 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
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 43 57  1  6  0  0  0
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 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 55  1  6  0  0  0
M  END
>  <NSC>
52141

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6833-84-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C40H64O12

>  <Molecular Weight (nearest integer)>
737

>  <dtpname:Chemical Name>
A 4426

>  <dtpname:Chemical Name>
NONACTIN

>  <dtpname:Chemical Name>
5342 PFW 19

>  <dtpname:Chemical Name>
Upjohn 170t (high melting)

>  <dtpname:Chemical Name>
Antibiotic from Actinomycete

>  <dtpname:Chemical Name>
4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-, [1R-(1R*,2R*,5R*,7R*,10S*,11S*,14S*,16S*,19R*,20R*,23R*,25R*,28S*,29S*,32S*,34S*)]-

>  <dtpname:Chemical Name>
4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-, [1R-(1R*,2R*,5R*,7R*,10S*,11S*,14S*,16S*,19R*,20R*,23R*,25R*,28S*,29S*,32S*,34S*)]-

>  <dtpname:9th C.I.>
Nonactin

>  <dtpname:8th C.I.>
4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-

>  <dtpname:8th C.I.>
4,13,22,31,37,38,39,40-Octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone, 2,5,11,14,20,23,29,32-octamethyl-

$$$$
642040
  CML DOM 09261310252D

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    3.3481    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2452    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3385    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.2356    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5346    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
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 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  2  0  0  0  0
 33 34  2  0  0  0  0
 33 39  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
>  <NSC>
642040

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H23N3O7

>  <Molecular Weight (nearest integer)>
526

$$$$
156215
  CML DOM 09261310252D

 59 62  0  0  0  0  0  0  0  0999 V2000
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    4.3807   -6.9566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7564   -0.2218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5778   -3.1931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7826   -4.4650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0237   -4.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8648   -6.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9510   -5.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2170   -8.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7395   -9.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6511  -10.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2122  -12.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4475  -13.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 40  1  0  0  0  0
 23 27  1  0  0  0  0
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 24 25  1  0  0  0  0
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 26 29  2  0  0  0  0
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 27 45  1  0  0  0  0
 28 31  1  0  0  0  0
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 29 31  1  0  0  0  0
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 31 32  2  0  0  0  0
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 33 42  1  0  0  0  0
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 37 38  2  0  0  0  0
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 49 50  1  0  0  0  0
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 54 55  2  0  0  0  0
 54 57  1  0  0  0  0
 57 58  1  0  0  0  0
M  END
>  <NSC>
156215

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
11031-82-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C42H53NO15

>  <Molecular Weight (nearest integer)>
812

>  <dtpname:Chemical Name>
Streptovaricin B

>  <dtpname:Chemical Name>
Streptovaricin complex, fraction b

>  <dtpname:Chemical Name>
Streptovaricinoic acid, methyl ester, 21-acetate

>  <dtpname:9th C.I.>
6,9-Metheno-9H-1,3-dioxino[4,5,6-uv][4]benzazacyclo tricosine-20-carboxylic acid, 7,21-bis(acetyloxy)- 5,10,11,16,17,18,19,20,21,22,23,24-dodecahydro- 17,19,23,24,27-pentahydroxy-4,8,12,16,18,22,24,26- octamethyl-5,11-dioxo-, methyl ester

$$$$
274893
  CML DOM 09261310252D

 50 56  0  0  0  0  0  0  0  0999 V2000
   -3.3888   19.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3888   18.1304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0898   20.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
274893

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C40H44N2O7.2ClH

>  <Molecular Weight (nearest integer)>
738

>  <dtpname:Chemical Name>
THALICARPINE TRANSFORMATION PRODUCT

$$$$
600681
  CML DOM 09261310252D

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M  END
>  <NSC>
600681

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H28N2.C20H18O8

>  <Molecular Weight (nearest integer)>
695

$$$$
645567
  CML DOM 09261310252D

 34 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
645567

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H5Cl3Sn.C15H35NO6P2

>  <Molecular Weight (nearest integer)>
690

$$$$
34931
  CML DOM 09261310252D

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   15.8629   14.5246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1620   13.7746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4610   14.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7600   13.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0591   14.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0591   16.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7600   16.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4610   16.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3581   13.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6572   14.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6571   16.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3581   16.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0246    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0246    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7600   18.2746    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.2600   18.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7600   19.7746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2600   18.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3677    9.2745    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6177    7.9755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1177   10.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    8.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2255    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7745    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   14.5245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9168   13.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3677   15.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168   15.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7600   12.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   11.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   17.1361    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14 51  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 31 32  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 32 38  1  0  0  0  0
 33 34  2  0  0  0  0
 33 47  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  2  0  0  0  0
 47 50  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  2  0  0  0  0
 51 54  1  0  0  0  0
M  CHG  1  57   1
M  END
>  <NSC>
34931

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6962-42-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H24N4O14S4.4Na

>  <Molecular Weight (nearest integer)>
933

>  <dtpname:Chemical Name>
2,2'-Stilbenedisulfonic acid, 4,4'-[(1-hydroxy-4-sulfo- 2-naphthyl)azo]-, tetrasodium salt

>  <dtpname:Chemical Name>
1-Naphthalenesulfonic acid, 3,3'-[1,2-ethenediylbis [(3-sulfo-4,1-phenylene)azo]]bis[4-hydroxy-, tetrasodium salt

$$$$
226080
  CML DOM 09261310252D

 65 68  0  0  0  0  0  0  0  0999 V2000
    7.7177    6.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7177    5.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167    4.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3158    5.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3158    6.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0167    7.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4187    7.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4187    4.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1196    5.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6148    4.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6148    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9139    2.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3158    2.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7999    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3086    0.8752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9255    4.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2378    5.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0614    5.6760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7194    5.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1718    5.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6576    6.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6562    5.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0594    4.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2259    7.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0313    6.9482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3159    4.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2662    5.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3670    3.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1634    1.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0127   -0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5188   -0.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0398   -2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6020   -1.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5130   -2.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8619   -4.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2997   -4.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3887   -3.5540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0431   -4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7720   -5.7002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9723   -6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9021   -7.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1329   -7.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6029   -8.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5532   -9.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0335   -9.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9230   -8.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8321   -6.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4220   -8.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8976   -7.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2808   -7.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3461   -6.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5186   -5.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9718   -3.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7218   -2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5327   -1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6679    0.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5211   -5.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0072   -8.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1268    0.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5445    4.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3249   -9.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7838   -9.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7380    6.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2358    6.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1227   -8.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  6  0  0  0
  2  3  1  0  0  0  0
  2  8  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  6  0  0  0
 12 14  1  0  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  6  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  1  0  0  0
 23 26  1  0  0  0  0
 23 63  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  6  0  0  0
 29 56  1  0  0  0  0
 30 31  2  0  0  0  0
 32 30  1  1  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 47  1  0  0  0  0
 42 57  1  1  0  0  0
 43 44  1  0  0  0  0
 43 65  1  1  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  6  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 61  1  1  0  0  0
 50 51  2  0  0  0  0
 50 58  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 59  1  6  0  0  0
 61 62  1  0  0  0  0
 63 64  1  0  0  0  0
M  END
>  <NSC>
226080

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
53123-88-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C51H79NO13

>  <Molecular Weight (nearest integer)>
914

>  <dtpname:USAN>
Sirolimus

>  <dtpname:Brand Name>
Rapamune

>  <dtpname:Chemical Name>
Rapamycin

>  <dtpname:Chemical Name>
(-)-Rapamycin

>  <dtpname:Chemical Name>
Antibiotic AY 22989

>  <dtpname:Chemical Name>
SIIA 9268A

>  <dtpname:Chemical Name>
AY 22989

>  <dtpname:Chemical Name>
Wy 090217

>  <dtpname:Chemical Name>
23,27-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine- 1,5,11,28,29(4H,6H,31H)-pentone, 9,10,12,13,14,21,22,23,24, 25,26,27,32,33,34,34a-hexadecahydro-9,27-dihydroxy- 3-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethyl]- 10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-, [3S-[3R*[S* (1R*,3S*,4S*)],6S*,7E,9S*,10S*,12S*,14R*,15E,17E,19E,21R*, 23R*,26S*,27S*,34aR*]]-

>  <dtpname:9th C.I.>
Rapamycin

$$$$
638352
  CML DOM 09261310252D

 57 61  0  0  0  0  0  0  0  0999 V2000
    5.4706   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3677   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9658   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   11.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   12.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   13.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2648   14.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9658   13.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8629   14.5246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1620   13.7746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4610   14.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7600   13.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0591   14.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0591   16.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7600   16.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4610   16.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9939   17.1361    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 43  1  0  0  0  0
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  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14 51  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 31 32  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 32 38  1  0  0  0  0
 33 34  2  0  0  0  0
 33 47  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  2  0  0  0  0
 47 50  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  2  0  0  0  0
 51 54  1  0  0  0  0
M  CHG  1  57   1
M  END
>  <NSC>
638352

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H22N6O14S4.4Na

>  <Molecular Weight (nearest integer)>
935

>  <dtpname:Chemical Name>
QUINOBENE

>  <dtpname:Chemical Name>
Quinobene

>  <dtpname:Chemical Name>
4,4'-Bis(8-hydroxy-5-sulfo-7-quinolineazo)stilbene-2,2'-disulfonic acid, tetrasodium salt

$$$$
71948
  CML DOM 09261310252D

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 68 67  2  0  0  0  0
 75 74  1  0  0  0  0
 36 79  1  0  0  0  0
  2 80  1  0  0  0  0
M  CHG  5  12   1  23   1  46   1  57   1  67   1
M  END
>  <NSC>
71948

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Inconsistent with Molecular Formula - no structure mapped to Cl from C33H31N4O3S4.C25H25N3O3S3.5Cl

>  <Molecular Formula in DIS>
C33H31N4O3S4.C25H25N3O3S3.5Cl

>  <Molecular Weight (nearest integer)>
1349

>  <dtpname:Chemical Name>
Thioflavine S

$$$$
166454
  CML DOM 09261310252D

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   -1.5735   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3702  -13.1986    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  -13.2649  -10.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2649  -16.0246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9658   -9.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9659   -7.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668   -7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668  -11.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -7.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 22  1  0  0  0  0
  8 10  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 11 13  2  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 34  1  0  0  0  0
M  CHG  3   7   1  13   1  21  -1
M  END
>  <NSC>
166454

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
522-51-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H40N4.2Cl

>  <Molecular Weight (nearest integer)>
528

>  <dtpname:Chemical Name>
SP

>  <dtpname:Chemical Name>
Sorot

>  <dtpname:Chemical Name>
Evazol

>  <dtpname:Chemical Name>
Efisol

>  <dtpname:Chemical Name>
Ivazil

>  <dtpname:Chemical Name>
Oralgol

>  <dtpname:Chemical Name>
Erosept

>  <dtpname:Chemical Name>
Dekamin

>  <dtpname:Chemical Name>
Dekadin

>  <dtpname:Chemical Name>
Sentril

>  <dtpname:Chemical Name>
Sanoral

>  <dtpname:Chemical Name>
BAQD 10

>  <dtpname:Chemical Name>
Rumilet

>  <dtpname:Chemical Name>
Labosept

>  <dtpname:Chemical Name>
Grocreme

>  <dtpname:Chemical Name>
Dequadin

>  <dtpname:Chemical Name>
Dequavet

>  <dtpname:Chemical Name>
Decamine

>  <dtpname:Chemical Name>
Polycidine

>  <dtpname:Chemical Name>
Dequavagyn

>  <dtpname:Chemical Name>
Dequalin chloride

>  <dtpname:Chemical Name>
Dequadin chloride

>  <dtpname:Chemical Name>
Dequalinium chloride

>  <dtpname:Chemical Name>
Decamine, pharmaceutical

>  <dtpname:Chemical Name>
Decamethylenebis[4-aminoquinaldinium chloride]

>  <dtpname:Chemical Name>
1,10-Decamethylenebis[4-aminoquinaldinium chloride]

>  <dtpname:Chemical Name>
1,1'-Decamethylenebis[4-aminoquinaldinium chloride]

>  <dtpname:Chemical Name>
1,1'-Decamethylenebis(4-aminoquinaldinium chloride)

>  <dtpname:Chemical Name>
Quinaldinium, 1,1'-decamethylenebis[4-amino]-, dichloride

>  <dtpname:Chemical Name>
WLN: T66 BKJ C1 EZ B10- BT66 BKJ C1 EZ &Q 2 &G 2

>  <dtpname:9th C.I.>
Quinolinium, 1,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, dichloride

>  <dtpname:8th C.I.>
Quinaldinium, 1,1'-decamethylenebis[4-amino-, dichloride

$$$$
239375
  CML DOM 09261310252D

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    3.7100   -5.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211   -4.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5701   -5.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628    7.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128    9.7577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1966   -5.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1585   -6.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2183   -3.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9419   -4.8088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9268   10.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4265   -2.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3636   -1.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9571   11.9810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4062   -0.4782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2170    6.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1913    1.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6910    1.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4798    4.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8163    7.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5741    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5131    3.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0153   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0488    7.8856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7504   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2869    8.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4821    3.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 44  1  0  0  0  0
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  4  6  1  0  0  0  0
  4 45  1  0  0  0  0
  5  9  1  0  0  0  0
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  7 11  1  0  0  0  0
  8 47  1  0  0  0  0
  9 12  1  0  0  0  0
  9 46  1  0  0  0  0
 11 14  1  0  0  0  0
 12 20  1  0  0  0  0
 12 49  1  0  0  0  0
 13 16  1  0  0  0  0
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 15 17  2  0  0  0  0
 15 16  1  0  0  0  0
 15 48  1  0  0  0  0
 16 18  2  0  0  0  0
 17 21  1  0  0  0  0
 17 51  1  0  0  0  0
 18 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 52  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 22 28  1  0  0  0  0
 24 34  1  0  0  0  0
 24 25  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  2  0  0  0  0
 26 32  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
 30 36  1  0  0  0  0
 30 33  2  0  0  0  0
 31 32  2  0  0  0  0
 32 35  1  0  0  0  0
 34 39  1  0  0  0  0
 34 53  1  0  0  0  0
 35 37  1  0  0  0  0
 35 40  1  0  0  0  0
 38 39  2  0  0  0  0
 38 43  1  0  0  0  0
 40 42  1  0  0  0  0
 40 41  2  0  0  0  0
 42 43  2  0  0  0  0
 42 54  1  0  0  0  0
M  END
>  <NSC>
239375

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
51757-10-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C38H45NO13

>  <Molecular Weight (nearest integer)>
724

>  <dtpname:Chemical Name>
Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-, 21-formate

>  <dtpname:Chemical Name>
2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.

$$$$
169774
  CML DOM 09261310252D

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   -9.2224   -0.6481    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
169774

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H40BrN5O5.CH4O3S

>  <Molecular Weight (nearest integer)>
751

>  <dtpname:Chemical Name>
Bromocriptine methanesulfonate

>  <dtpname:Chemical Name>
CB 154 methanesulfonate (salt)

>  <dtpname:Chemical Name>
.alpha.-Ergocryptine, 2-bromo-, methanesulfonate

>  <dtpname:Chemical Name>
2-Bromo-.alpha.-ergocryptine monomethanesulfonate

$$$$
281613
  CML DOM 09261310252D

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M  END
>  <NSC>
281613

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H30ClN3O6S3

>  <Molecular Weight (nearest integer)>
648

>  <dtpname:Chemical Name>
Ethanol, 2,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)

$$$$
607316
  CML DOM 09261310252D

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M  END
>  <NSC>
607316

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C44H50N4O12

>  <Molecular Weight (nearest integer)>
827

$$$$
653558
  CML DOM 09261310252D

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 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
653558

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H34Ge2O4

>  <Molecular Weight (nearest integer)>
605

$$$$
49842
  CML DOM 09261310252D

 67 74  0  0  0  0  0  0  0  0999 V2000
   11.8434    2.3420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4053    0.9512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2883   -3.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1438    6.3442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5581   -4.1953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0139    1.0465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0139   -1.9535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9241    7.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5853    6.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643    5.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6915    4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7962    2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1444    1.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3879    2.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6210    6.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3252    5.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2833    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6740    4.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1871    6.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6643    6.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6382    3.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6285    5.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1154    3.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3129    1.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6120    1.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6120   -0.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3129   -1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4042    1.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7149   -1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3130   -2.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7149   -2.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2883   -0.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6781    0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1864    0.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4066   -1.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3047   -0.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0139   -3.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9148   -1.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9351    4.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2257   -1.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5886   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8248   -4.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0497   -4.6026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    6.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1696    7.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317    7.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6120   -3.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9795   -2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2785   -2.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9795   -0.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6120   -1.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9110   -1.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4502    6.7815    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.9502    6.7815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4502    8.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9502    6.7815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4502    5.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9008    1.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0054   -0.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5526    1.6848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4480    3.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9781   -4.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4553   -4.3421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0431   -7.1715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5659   -7.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  1  2  1  0  0  0  0
  3 33  1  0  0  0  0
  3 37  1  0  0  0  0
  3 44  1  0  0  0  0
 41  4  1  6  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
 33  5  1  1  0  0  0
  6 24  1  0  0  0  0
  6 29  1  0  0  0  0
  6 28  1  0  0  0  0
 28  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 48  1  6  0  0  0
 10 11  1  0  0  0  0
 11 41  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 36  1  1  0  0  0
 13 14  1  0  0  0  0
 13 60  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
 27 53  1  6  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 31 30  1  1  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 39  1  0  0  0  0
 32 49  1  1  0  0  0
 33 39  1  0  0  0  0
 34 37  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 38  1  0  0  0  0
 37 40  1  0  0  0  0
 38 40  2  0  0  0  0
 38 42  1  0  0  0  0
 39 45  1  1  0  0  0
 39 64  1  0  0  0  0
 42 43  1  0  0  0  0
 46 47  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 53 54  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 55 58  2  0  0  0  0
 55 59  1  0  0  0  0
 60 61  2  0  0  0  0
 60 62  1  0  0  0  0
 62 63  1  0  0  0  0
 64 65  2  0  0  0  0
 64 66  1  0  0  0  0
 66 67  1  0  0  0  0
M  END
>  <NSC>
49842

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
143-67-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C46H58N4O9.H2O4S

>  <Molecular Weight (nearest integer)>
909

>  <dtpname:USAN>
Vinblastine sulfate

>  <dtpname:USAN>
Vinblastine Sulfate Hydrate

>  <dtpname:INN:BAN>
Vinblastine

>  <dtpname:Brand Name>
Velban

>  <dtpname:Chemical Name>
Vincaleukoblastine sulfate (1:1) (salt)

>  <dtpname:Chemical Name>
Belvan, VLB

>  <dtpname:Chemical Name>
VLB monosulfate

>  <dtpname:Chemical Name>
Exal

>  <dtpname:Chemical Name>
Velbe

>  <dtpname:Chemical Name>
Vincaleucoblastine sulfate

>  <dtpname:Chemical Name>
Vincaleukoblastine sulfate

>  <dtpname:Chemical Name>
Vinblastine, sulfate, hydrate

>  <dtpname:Chemical Name>
Vincaleukoblastine, sulfate, hydrate

>  <dtpname:Chemical Name>
Vincaleukoblastine, sulfate, monohydrate

>  <dtpname:Chemical Name>
29060-LE

>  <dtpname:Chemical Name>
29060 LE

>  <dtpname:Chemical Name>
VINCALEUKOBLASTINE

>  <dtpname:Chemical Name>
VINBLASTINE SULFATE

>  <dtpname:Chemical Name>
VINBLASTINE SULFATE

>  <dtpname:Chemical Name>
WLN: T C6 B5665/BS 2AB S BX IN QN NU & & TTTJ FO1 I1 KVO1 KQ LOV1 M2 E-CT F6D596A EN ON & & TTJ CVO1 Q

>  <dtpname:Chemical Name>
WLN: T C6 B5665/BS 2AB S BX IN QN NU & & TTTJ FO1 I1 KVO1 KQ LOV1 M2 E-CT F6 D596A EN ON & & TTJ CVO1 Q

>  <dtpname:Chemical Name>
NSC 49842

>  <dtpname:9th C.I.>
Vincaleukoblastine, sulfate (1:1) (salt)

>  <dtpname:8th C.I.>
Vincaleukoblastine, sulfate (1:1) (salt)

$$$$
253995
  CML DOM 09261310252D

 67 74  0  0  0  0  0  0  0  0999 V2000
   11.2714   -1.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8986   -0.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7778   -1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0320    0.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9113   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5897   -2.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9694   -4.0886    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4623   -3.9430    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0827   -2.5773    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7172   -1.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2185   -1.5663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7069   -0.3756    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1369   -0.5270    0.0000 Eu  0  1  0  0  0  0  0  0  0  0  0  0
   -4.5762    1.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4265    3.4687    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
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    0.9780   -3.5154    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
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    4.6649    1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0491   -0.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1838    1.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8030    4.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1944   -2.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7148   -4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1693   -6.1598    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776   -6.5553    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3436   -5.4999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3122    6.0027    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314    6.7834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2851    6.0645    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9537    4.2806    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.9871    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9060    2.5664    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4822    7.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1484    1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5326   -0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6676    1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2868    4.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4274   -3.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9479   -5.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0823    0.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2191    3.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3041   -4.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
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 15 13  1  0  0  0  0
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 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
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 38 27  1  0  0  0  0
 39 28  1  0  0  0  0
 40 29  1  0  0  0  0
 41 30  1  0  0  0  0
 42 31  2  0  0  0  0
 43 33  2  0  0  0  0
 44 33  1  0  0  0  0
 45 35  2  0  0  0  0
 46 35  1  0  0  0  0
 47 37  2  0  0  0  0
 48 37  1  0  0  0  0
 49 38  1  0  0  0  0
 50 38  1  0  0  0  0
 51 38  1  0  0  0  0
 52 39  1  0  0  0  0
 53 39  1  0  0  0  0
 54 39  1  0  0  0  0
 55 40  1  0  0  0  0
 56 40  1  0  0  0  0
 57 40  1  0  0  0  0
 58 41  2  0  0  0  0
 59 43  1  0  0  0  0
 60 44  2  0  0  0  0
 61 45  1  0  0  0  0
 62 46  2  0  0  0  0
 63 47  1  0  0  0  0
 64 48  2  0  0  0  0
 65 59  2  0  0  0  0
 66 61  2  0  0  0  0
 67 63  2  0  0  0  0
  6  5  1  0  0  0  0
 19 15  2  0  0  0  0
 36 27  1  0  0  0  0
 34 28  1  0  0  0  0
 32 29  1  0  0  0  0
 58 42  1  0  0  0  0
 65 60  1  0  0  0  0
 66 62  1  0  0  0  0
 67 64  1  0  0  0  0
M  CHG  5  13  -1  14   3  32  -1  34  -1  36  -1
M  END
>  <NSC>
253995

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
17904-78-8

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - O(a12) connected atoms =[ C Eu ]

>  <Molecular Formula in DIS>
C40H24EuF12O8.C5H5N.H

>  <Molecular Weight (nearest integer)>
1093

>  <dtpname:Chemical Name>
Piperidinium europium benzoyl trifluoroacetonate

>  <dtpname:Chemical Name>
Europate(1-), tetrakis(4,4,4-trifluoro-1-phenyl-1,3-butanedionato-O,O')-, hydrogen, compd. with pyridine

$$$$
640342
  CML DOM 09261310252D

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   21.0447  -14.6151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5743  -19.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3608  -18.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.4717  -16.3784    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.6853  -17.2601    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   23.6285  -14.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2729  -14.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2729  -16.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5228   -2.5911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9642   -1.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  8  9  1  0  0  0  0
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 34 35  1  0  0  0  0
 34 55  2  0  0  0  0
 36 56  1  0  0  0  0
 37 38  2  0  0  0  0
 37 42  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
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 41 42  2  0  0  0  0
 41 69  1  0  0  0  0
 43 44  1  0  0  0  0
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 44 49  1  0  0  0  0
 45 46  1  0  0  0  0
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 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 47 53  1  0  0  0  0
 48 49  2  0  0  0  0
 50 51  1  0  0  0  0
 50 52  2  0  0  0  0
 56 63  1  0  0  0  0
 57 58  2  0  0  0  0
 57 62  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 60 61  1  0  0  0  0
 61 62  2  0  0  0  0
 61 65  1  0  0  0  0
 63 64  2  0  0  0  0
 63 65  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  2  0  0  0  0
 67 69  1  0  0  0  0
M  CHG  7   8   1   9  -1  41   1  50   1  51  -1  54  -1  61   1
M  END
>  <NSC>
640342

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C48H44N12O6S2.2Cl

>  <Molecular Weight (nearest integer)>
1020

$$$$
683792
  CML DOM 09261310252D

 39 43  0  0  0  0  0  0  0  0999 V2000
    3.6226    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9217   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9217    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5197    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4169    1.7746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4169    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0640    2.3236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 27 37  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
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 30 33  1  0  0  0  0
 31 32  2  0  0  0  0
 31 36  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 38  1  0  0  0  0
 35 36  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <NSC>
683792

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H40N2O2.2ClH

>  <Molecular Weight (nearest integer)>
582

>  <dtpname:Chemical Name>
4,4'-Bipiperidine, 1,1'-bis[(6-methoxy- 2-naphthalenyl)methyl]-, dihydrochloride

$$$$
97338
  CML DOM 09261310252D

 48 54  0  0  0  0  0  0  0  0999 V2000
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 33 34  2  0  0  0  0
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 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
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 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 46  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
>  <NSC>
97338

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
477-57-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C38H42N2O6

>  <Molecular Weight (nearest integer)>
623

>  <dtpname:Chemical Name>
ISOTETRANDRINE

>  <dtpname:Chemical Name>
Isotetrandrine

>  <dtpname:Chemical Name>
(+)-Isotetrandrine

>  <dtpname:9th C.I.>
Berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-

>  <dtpname:8th C.I.>
1-Isotetrandrine

$$$$
292567
  CML DOM 09261310252D

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 46 43  1  0  0  0  0
 47 44  1  0  0  0  0
 48 44  1  0  0  0  0
 49 44  1  0  0  0  0
 50 47  1  0  0  0  0
 51 49  1  0  0  0  0
  8  5  1  0  0  0  0
 15 11  1  0  0  0  0
 22 21  1  0  0  0  0
 32 28  1  0  0  0  0
 35 33  1  0  0  0  0
 49 46  1  0  0  0  0
 50 52  1  0  0  0  0
 48 53  1  0  0  0  0
 41 54  1  0  0  0  0
M  END
>  <NSC>
292567

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
28643-80-3

>  <Structure Evaluation>
Inconsistent with Molecular Formula - no structure mapped to Na from C40H68O11.Na

>  <Molecular Formula in DIS>
C40H68O11.Na

>  <Molecular Weight (nearest integer)>
748

>  <dtpname:Chemical Name>
NIGERICIN

>  <dtpname:Chemical Name>
Nigericin sodium salt

>  <dtpname:9th C.I.>
Nigericin, monosodium salt

>  <dtpname:8th C.I.>
Nigericin, monosodium salt

$$$$
208734
  CML DOM 09261310252D

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 24 27  2  0  0  0  0
 25 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 30 50  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 45  1  0  0  0  0
 36 42  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 41  1  0  0  0  0
 40 41  1  0  0  0  0
 40 43  1  0  0  0  0
 42 44  1  0  0  0  0
 47 48  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
M  END
>  <NSC>
208734

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
57576-44-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C42H53NO15

>  <Molecular Weight (nearest integer)>
812

>  <dtpname:Chemical Name>
MA 144-A1

>  <dtpname:Chemical Name>
NSC 208734

>  <dtpname:Chemical Name>
Aclarubicin

>  <dtpname:Chemical Name>
Aclacinomycin

>  <dtpname:Chemical Name>
Aclucinomycin A

>  <dtpname:Chemical Name>
Aclacinomycin A

>  <dtpname:Chemical Name>
ACLACINOMYCIN A

>  <dtpname:Chemical Name>
ACLACINOMYCIN A

>  <dtpname:Chemical Name>
ACLACINOMYCIN A

>  <dtpname:Chemical Name>
Antibiotic MA144-A1

>  <dtpname:9th C.I.>
1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-.alpha.-L-lyxo-hexopyranosyl]-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester,(1R-(1.alpha.,2.beta.,4.beta.))-

$$$$
304421
  CML DOM 09261310252D

 62 71  0  0  0  0  0  0  0  0999 V2000
   -7.6673    5.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -7.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 57  1  0  0  0  0
 32 33  2  0  0  0  0
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 35 56  1  0  0  0  0
 36 42  1  0  0  0  0
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 37 46  1  0  0  0  0
 37 48  1  0  0  0  0
 38 45  1  0  0  0  0
 38 46  1  0  0  0  0
 38 60  1  0  0  0  0
 39 53  2  0  0  0  0
 39 60  1  0  0  0  0
 40 43  1  0  0  0  0
 40 54  2  0  0  0  0
 40 58  1  0  0  0  0
 41 46  1  0  0  0  0
 41 55  2  0  0  0  0
 41 59  1  0  0  0  0
 44 56  1  0  0  0  0
 46 51  1  0  0  0  0
 50 52  1  0  0  0  0
 47 61  1  0  0  0  0
 51 62  1  0  0  0  0
M  CHG  2  50   1  52  -1
M  END
>  <NSC>
304421

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C46H56N4O10

>  <Molecular Weight (nearest integer)>
825

>  <dtpname:Chemical Name>
LEUROSINE-N-OXIDE

>  <dtpname:Chemical Name>
Leurosine N-oxide

>  <dtpname:Chemical Name>
Vincaleukoblastine, 4'-deoxy-3',4'-epoxy-, 6'-oxide, (3'.alpha.,4'.alpha.)-

$$$$
619907
  CML DOM 09261310252D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -4.8212   -6.6495    0.0000 Mn  0  2  0  0  0  0  0  0  0  0  0  0
   -4.8212   -8.1495    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5221   -7.3995    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2231   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183   -8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7183  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4192  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4192   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
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  5  9  1  0  0  0  0
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 22 23  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  CHG  5   1   2   2   1   3   1  24  -1  26  -1
M  END
>  <NSC>
619907

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - Mn(a1) connected atoms =[ O O O O ]

>  <Molecular Formula in DIS>
C14H6I4MnO6

>  <Molecular Weight (nearest integer)>
833

>  <dtpname:Chemical Name>
Mn(II) 3,5-diiodosalicylate

$$$$
669356
  CML DOM 09261310252D

 47 48  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 17  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
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 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28 43  1  0  0  0  0
 29 30  2  0  0  0  0
 29 42  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 41  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
M  END
>  <NSC>
669356

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C35H56N6O5.ClH

>  <Molecular Weight (nearest integer)>
677

>  <dtpname:Chemical Name>
L-Prolinamide, N,N-dimethyl-L-valyl-L-valyl-N-methyl- L-valyl-L-prolyl-N-(phenylmethyl)-, hydrochloride

$$$$
58514
  CML DOM 09261310252D

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 50 51  1  0  0  0  0
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 55 56  1  0  0  0  0
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 57 58  1  0  0  0  0
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 67 68  1  0  0  0  0
 68 69  2  0  0  0  0
 68 70  1  0  0  0  0
 80 81  1  0  0  0  0
M  END
>  <NSC>
58514

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
7059-24-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C57H82O26

>  <Molecular Weight (nearest integer)>
1183

>  <dtpname:Chemical Name>
TOYOMYCIN

>  <dtpname:Chemical Name>
Toyomycin

>  <dtpname:Chemical Name>
NSC-58514

>  <dtpname:Chemical Name>
Chromomycin

>  <dtpname:Chemical Name>
Aburamycin B

>  <dtpname:Chemical Name>
CHROMOMYCIN A3

>  <dtpname:Chemical Name>
CHROMOMYCIN A3

>  <dtpname:Chemical Name>
Antibiotic from Streptomyces griseus

>  <dtpname:Chemical Name>
WLN: L C666 DVT&&J BQ FYO1&VYQYQ1 M1 NQ LO- BT6OTJ DOV1 F1 EO- BT6OTJ DQ EO1F1&& EO- BT6OTJ EQ F1

>  <dtpname:9th C.I.>
Olivomycin D, 3B-O-(4-O-acetyl-2,6-dideoxy-3-C-methyl-.alpha.-L-arabino-hexopyranosyl)-7-methyl-

>  <dtpname:8th C.I.>
Chromomycin A3

$$$$
269146
  CML DOM 09261310252D

 80 87  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
269146

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
12677-11-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C52H76O24

>  <Molecular Weight (nearest integer)>
1085

>  <dtpname:Chemical Name>
Variamycin

>  <dtpname:Chemical Name>
VARIAMYCIN

>  <dtpname:Chemical Name>
Variamitsin

>  <dtpname:Chemical Name>
VARIAMYCIN RUSSIAN

>  <dtpname:Chemical Name>
Antibiotic 6604-9A

>  <dtpname:Chemical Name>
Mithramycin, 3-C-demethyl-4-C-methyl-

>  <dtpname:Chemical Name>
Mithramycin, 3(C)-demethyl-4(C)-methyl

>  <dtpname:9th C.I.>
L-threo-2-Pentulose, 5-deoxy-1-C-[7''-[2,6-dideoxy-3-O-(2,6-dideoxy.beta.-D-arabino-hexopyranosyl)-.beta.-D-arabino-hexapyranosyl]oxy]-3-[(O-2,6-dideoxy-4-O-methyl-.alpha.-L-lyxo-hexapyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.alpha.-D-lyxo-hexopyranosyl-(1.fwdarw.3)-2,6-dideoxy-.beta.-D-arabino-hexopyranosy)]oxy]-1,2,3,4-tetrahydro-5,10-dihydroxy-6-methyl-4-oxo-2-anthracenyl]-1-O-methyl

>  <dtpname:8th C.I.>
D-arabino-Hexapyranoside, 6-[[2,6-dideoxy-3-O-(2,6-dideoxy-.beta.-D-arabino-hexapyranosyl)-.beta.-D-arabino-hexopyranosyl]oxy]-3-(3,4-dihyroxy-1-methoxy-2-oxopentyl)-1,2,3,4-tetrahydro-8,9-dihydroxy-7-methyl-1-oxo-2-anthryl-O-2,6-dideoxy-4-methoxy-.alpha.-D-lyxo-hexopyranosyl-(1.fwdarw.3)-, .beta.

$$$$
643834
  CML DOM 09261310252D

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M  END
>  <NSC>
643834

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Error parsing formula prefix - 2(

>  <Molecular Formula in DIS>
C61H96O10.2(C3H9NO2)

>  <Molecular Weight (nearest integer)>
1172

$$$$
675593
  CML DOM 09261310252D

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 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  CHG  4   8   1   9  -1  24   1  25  -1
M  END
>  <NSC>
675593

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H42N10O4S4

>  <Molecular Weight (nearest integer)>
711

>  <dtpname:Chemical Name>
Carbamodithioic acid, dipropyl-, diester with 1,4-piperazinediylbis(2-methyl-5-nitro-4-pyrimidinyl- 6-thiol)

$$$$
260610
  CML DOM 09261310252D

 40 45  0  0  0  0  0  0  0  0999 V2000
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 25 28  1  0  0  0  0
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 29 31  1  0  0  0  0
 30 36  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <NSC>
260610

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
67047-17-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H34N4O2

>  <Molecular Weight (nearest integer)>
531

>  <dtpname:Chemical Name>
1,6-Hexanediamine, N,N'-bis(3-methoxy-9-acridinyl)-

$$$$
125066
  CML DOM 09261310252D

110114  0  0  0  0  0  0  0  0999 V2000
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103104  2  0  0  0  0
103105  1  0  0  0  0
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M  CHG  2  60   1 105  -1
M  END
>  <NSC>
125066

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
11056-06-7

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for HO4S- in C55H84N20O21S2.C55H84N17O21S3

>  <Molecular Formula in DIS>
C55H84N20O21S2.C55H84N17O21S3

>  <Molecular Weight (nearest integer)>
2841

>  <dtpname:USAN>
Bleomycin sulfate

>  <dtpname:INN:BAN>
Bleomycin

>  <dtpname:Brand Name>
Blenoxane

>  <dtpname:Chemical Name>
BLM

>  <dtpname:Chemical Name>
Bleo

>  <dtpname:Chemical Name>
Bleocin

$$$$
218439
  CML DOM 09261310252D

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M  CHG  7   1  -1   2   1   3   1  30   1  31  -1  37   1  38  -1
M  END
>  <NSC>
218439

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H25N7O5.2Cl

>  <Molecular Weight (nearest integer)>
622

>  <dtpname:Chemical Name>
Quinolinium, 1-methyl-4-[[4-[[[4-[(1-methylpyridinium-4-yl)amino]phenyl]amino]carbonyl]-3-nitrophenyl]amino]-6-nitro-, dichloride

$$$$
328426
  CML DOM 09261310252D

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M  END
>  <NSC>
328426

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63166-73-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C40H52O17

>  <Molecular Weight (nearest integer)>
805

>  <dtpname:Chemical Name>
PHYLLANTHOSIDE

>  <dtpname:Chemical Name>
PHYLLANTHOSIDE

>  <dtpname:9th C.I.>
Phyllanthoside

>  <dtpname:9th C.I.>
.beta.-D-Glucopyranose, 2-O-(3-O-acetyl-6-deoxy-.beta.-D-glucopyranosyl)-6-deoxy-, 3-acetate 1-[decahydro-5''-methyl-4''-[(1-oxo-3-phenyl-2- propenyl)oxy]dispiro[oxirane-2,3'(2'H)-benzofuran-2',2''- [2H]pyran]-6'-carboxylate] [2'S-[2'.alpha.[4''R*(E),5''S*] 3'.beta.,3'a.alpha.,6'.alpha.,7'a.alpha.]]-

$$$$
620261
  CML DOM 09261310252D

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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <NSC>
620261

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H16N2O4.4C8H8O2

>  <Molecular Weight (nearest integer)>
809

>  <dtpname:Chemical Name>
Antineoplaston AS2-1

$$$$
676963
  CML DOM 09261310252D

 50 54  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  16   1  17  -1
M  END
>  <NSC>
676963

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H34N6OS.2C4H4O4

>  <Molecular Weight (nearest integer)>
807

>  <dtpname:Chemical Name>
3-Azido-10-[4-(4-(4-benzoylphenyl)methyl)-1-piperazinyl)butyl]phenothiazine, bismaleate salt

$$$$
67574
  CML DOM 09261310252D

 67 74  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
67574

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
2068-78-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C46H56N4O10.H2O4S

>  <Molecular Weight (nearest integer)>
923

>  <dtpname:USAN>
Vincristine sulfate

>  <dtpname:INN:BAN>
Vincristine

>  <dtpname:Brand Name>
Onkovin

>  <dtpname:Chemical Name>
Leurocristine sulfate

>  <dtpname:Chemical Name>
Oncovin

>  <dtpname:Chemical Name>
VCR sulfate

>  <dtpname:Chemical Name>
Alkaloid extracted from Vinca rosea Linn

>  <dtpname:Chemical Name>
Vincasar

>  <dtpname:Chemical Name>
Vincrex

>  <dtpname:Chemical Name>
Kyocristine

>  <dtpname:Chemical Name>
Lilly 37231

>  <dtpname:Chemical Name>
LCR

>  <dtpname:Chemical Name>
Vincrisul

>  <dtpname:Chemical Name>
37231

>  <dtpname:Chemical Name>
NSC67674

>  <dtpname:Chemical Name>
NSC 67574

>  <dtpname:Chemical Name>
Vincristine, sulfate

>  <dtpname:Chemical Name>
LEUROCRISTINE SULFATE

>  <dtpname:Chemical Name>
Leurocristine, sulfate

>  <dtpname:Chemical Name>
Leurocristine sulfate (1:1)

>  <dtpname:Chemical Name>
Leurocristine sulfate (1:1) (salt)

>  <dtpname:Chemical Name>
VINCRISTINE SULFATE

>  <dtpname:Chemical Name>
LEUROCRISTINE

>  <dtpname:Chemical Name>
VINCRISTINE

>  <dtpname:9th C.I.>
Vincaleukoblastine, 22-oxo-, sulfate (1:1) (salt)

>  <dtpname:8th C.I.>
Leurocristine, sulfate (1:1) (salt)

$$$$
306864
  CML DOM 09261310252D

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M  END
>  <NSC>
306864

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
50773-42-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C51H82O20

>  <Molecular Weight (nearest integer)>
1015

>  <dtpname:Chemical Name>
DIOSGENIN TETRAGLYCOSIDE

$$$$
697468
  CML DOM 09261310252D

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M  CHG  2  51   1  52  -1
M  END
>  <NSC>
697468

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C45H58N8O12

>  <Molecular Weight (nearest integer)>
903

>  <dtpname:Chemical Name>
N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-.delta.-butylamino-9'(1'-nitroacridine)

$$$$
181486
  CML DOM 09261310252D

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M  END
>  <NSC>
181486

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C35H34N2O5

>  <Molecular Weight (nearest integer)>
563

>  <dtpname:Chemical Name>
Trigilletine

$$$$
267229
  CML DOM 09261310252D

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    7.5197    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3140   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -4.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3140   -3.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130   -4.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8188   -1.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0149   -2.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130   -1.2254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9120   -1.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6130    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4168    4.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1178    5.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159    5.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7158    7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1931    2.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2289    3.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7061    4.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 20  2  0  0  0  0
  3 23  1  0  0  0  0
  3 26  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 36  1  1  0  0  0
 22  5  1  6  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 40  1  6  0  0  0
 13 41  1  0  0  0  0
 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 22  1  0  0  0  0
 19 29  1  0  0  0  0
 21 31  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  1  0  0  0  0
 25 33  1  0  0  0  0
 26 27  1  0  0  0  0
 26 32  1  0  0  0  0
 27 30  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <NSC>
267229

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
668-17-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H35NO11

>  <Molecular Weight (nearest integer)>
586

>  <dtpname:Chemical Name>
PYRROMYCIN

>  <dtpname:Chemical Name>
PYRROMYCIN

>  <dtpname:Chemical Name>
Pyrromycin

>  <dtpname:Chemical Name>
WLN: L E6 C666 BV MVT&&&J DQ HQ H2 IVO1 OQ RQ FO- FT6OTJ B1 CQ DN1&1

>  <dtpname:9th C.I.>
1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-, methyl ester, [1R-(1.alpha.,2.beta.,4.beta.)]-

$$$$
265211
  CML DOM 09261310252D

 61 67  0  0  0  0  0  0  0  0999 V2000
    1.3050  -15.3766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7464  -14.4880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1520  -12.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6031   -9.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0998   -6.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5510   -4.2536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4793   -4.2536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7113   -4.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7113    1.3955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7113   -0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0103   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5151   -0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2161   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8142   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1132   -0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6084   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2161   -2.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8142   -2.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0104   -2.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6084   -2.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5152   -3.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1132   -3.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7113   -3.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3094   -3.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6129   -8.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0901   -8.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0543   -7.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5412   -5.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0640   -5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6389  -11.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1617  -10.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1975  -11.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1878  -13.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7106  -13.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692  -14.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561  -12.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789  -12.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722  -15.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6853  -13.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625  -13.4461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2341  -11.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920  -13.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6747  -12.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7203  -11.6689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7389   -1.1150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5770   -7.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5315   -7.5936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0445   -9.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4956   -6.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5151    1.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2161    2.1455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8142    2.1455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8142    3.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1132   -4.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3094    1.3955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3094   -4.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031    0.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2259    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  1 41  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3 33  1  0  0  0  0
  3 36  1  0  0  0  0
  4 29  1  0  0  0  0
  4 33  1  0  0  0  0
  5 28  1  0  0  0  0
  5 32  1  0  0  0  0
 24  6  1  0  0  0  0
  6 32  1  0  0  0  0
 24  7  1  6  0  0  0
  8 26  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 22  2  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 53  1  6  0  0  0
 13 19  1  0  0  0  0
 13 48  1  1  0  0  0
 13 60  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 58  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 27  2  0  0  0  0
 25 57  1  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 37  1  0  0  0  0
 35 47  1  0  0  0  0
 36 37  1  0  0  0  0
 36 46  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 42  1  0  0  0  0
 40 44  1  0  0  0  0
 41 42  1  0  0  0  0
 41 45  1  0  0  0  0
 42 43  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
 60 61  1  0  0  0  0
M  END
>  <NSC>
265211

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
63710-10-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C42H55NO17

>  <Molecular Weight (nearest integer)>
846

>  <dtpname:Chemical Name>
NSC 265211

>  <dtpname:Chemical Name>
Rhodirubin E

>  <dtpname:Chemical Name>
MARCELLOMYCIN

>  <dtpname:Chemical Name>
MARCELLOMYCIN

>  <dtpname:Chemical Name>
Marcellomycin

>  <dtpname:Chemical Name>
Replaced CAS registry number(s): 64256-11-7

>  <dtpname:Chemical Name>
1-Naphthacenecarboxylic acid, 4-[[O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1 4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1 4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-,

>  <dtpname:9th C.I.>
1-Naphthacenecarboxylic acid, 4-[[O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester,[1R-(1.alpha.,2.beta.,4.beta.)]-

>  <dtpname:9th C.I.>
1-Naphthacenecarboxylic acid, 4-[[O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-2,3,6-trideoxy-3-(dimethylamino)-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1.alpha.,2.beta.,4.beta.))-

$$$$
125176
  CML DOM 09261310252D

104111  0  0  0  0  0  0  0  0999 V2000
   12.0786   15.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9957   16.7050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1679   15.9362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7819   20.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5855   15.5971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0340   19.8631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2447   17.5964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7398   14.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5533   15.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.2125   17.6797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3072    3.6915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2044    5.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5034    8.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5034    2.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8025    4.4415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8025    2.9415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1015    6.6915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4005    7.4415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4005    2.9415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6996    3.6915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9986    5.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8376    8.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6881   -0.9524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2846    5.1915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5690    2.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7846    5.1915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7962   11.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2734   11.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2832   10.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2474    8.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2376   10.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7246    9.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4312   16.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0245   16.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8702   16.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4635   16.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3092   17.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
125176

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C45H54N8O10.C28H35N3O7

>  <Molecular Weight (nearest integer)>
1393

>  <dtpname:Chemical Name>
Mikamycin, B grade

$$$$
645617
  CML DOM 09261310252D

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M  END
>  <NSC>
645617

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H12N4S4

>  <Molecular Weight (nearest integer)>
329

$$$$
285116
  CML DOM 09261310252D

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M  END
>  <NSC>
285116

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
12656-09-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C71H81N19O18S5

>  <Molecular Weight (nearest integer)>
1649

>  <dtpname:Chemical Name>
SIOMYCIN A

>  <dtpname:Chemical Name>
Thiostrepton,1-Valine-2-(2,3-didehydroalanine)-

>  <dtpname:Chemical Name>
Thiostrepton, 1-valine-2-(2,3-didehydroalanine)-

$$$$
655255
  CML DOM 09261310252D

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M  END
>  <NSC>
655255

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
150258-65-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14O5

>  <Molecular Weight (nearest integer)>
274

$$$$
333856
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  -10.2958   -8.7987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9967  -11.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6977  -13.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5065  -24.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9967   -8.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6977  -10.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.1182  -25.4635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.9554  -23.6264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9967   -6.5486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6977   -8.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3987  -11.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1789  -26.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6977   -5.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3987   -8.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3987  -12.5487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6977   -4.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3987   -6.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5015   -5.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8006   -8.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -6.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5015   -8.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965   -5.7987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -8.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5015  -10.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965   -8.7987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965  -10.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956  -11.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025  -11.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956  -12.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025  -12.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6946  -13.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965  -13.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965  -14.7987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025  -15.5487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956   -6.5487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -26.2274  -14.4197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
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  9  4  2  0  0  0  0
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 11  5  1  0  0  0  0
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 13  8  2  0  0  0  0
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 51 45  1  0  0  0  0
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 55 49  1  0  0  0  0
 56 49  2  0  0  0  0
 57 51  1  0  0  0  0
 58 53  1  0  0  0  0
 59 53  1  0  0  0  0
 60 54  1  0  0  0  0
 61 57  1  0  0  0  0
 62 58  1  0  0  0  0
 63 59  1  0  0  0  0
 64 61  1  0  0  0  0
 65 61  2  0  0  0  0
 66 62  1  0  0  0  0
 67 62  1  0  0  0  0
 68 63  1  0  0  0  0
 69 64  1  0  0  0  0
 70 66  1  0  0  0  0
 71 67  1  0  0  0  0
 72 68  1  0  0  0  0
 73 68  2  0  0  0  0
 74 70  1  0  0  0  0
 75 70  1  0  0  0  0
 76 75  1  0  0  0  0
 77 76  1  0  0  0  0
 78 77  1  0  0  0  0
 79 77  1  0  0  0  0
 80 78  1  0  0  0  0
 81 79  1  0  0  0  0
 82 80  1  0  0  0  0
 83 80  1  0  0  0  0
 84 81  1  0  0  0  0
 85 83  1  0  0  0  0
 86 85  1  0  0  0  0
 87 86  1  0  0  0  0
 88 86  1  0  0  0  0
 89 87  1  0  0  0  0
 90 88  1  0  0  0  0
 91 89  1  0  0  0  0
 92 89  1  0  0  0  0
 93 92  1  0  0  0  0
  8  6  1  0  0  0  0
 17 12  2  0  0  0  0
 33 28  2  0  0  0  0
 37 31  1  0  0  0  0
 40 35  1  0  0  0  0
 51 46  1  0  0  0  0
 59 54  1  0  0  0  0
 75 71  1  0  0  0  0
 83 81  1  0  0  0  0
 92 90  1  0  0  0  0
 93 94  1  0  0  0  0
 82 95  1  0  0  0  0
 16 96  1  0  0  0  0
M  CHG  2  49   1  55  -1
M  END
>  <NSC>
333856

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Inconsistent with Molecular Formula - no structure mapped to Na from C67H96N2O24.Na

>  <Molecular Formula in DIS>
C67H96N2O24.Na

>  <Molecular Weight (nearest integer)>
1337

>  <dtpname:Chemical Name>
NSC 329083

>  <dtpname:Chemical Name>
Tetrocarcin A, sodium salt

>  <dtpname:Chemical Name>
Antlermicin A, monosodium salt

$$$$
65423
  CML DOM 09261310252D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.6740    0.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -2.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6987    0.5640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2806   -4.5032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6987   -1.8630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5804   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622   -3.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5888   -3.7531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5888   -5.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7024   -8.2580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6987   -7.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8024   -6.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8023   -2.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  2  0  0  0  0
  3  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
65423

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
550-33-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12N4O4

>  <Molecular Weight (nearest integer)>
252

>  <dtpname:Chemical Name>
NSC 65423

>  <dtpname:Chemical Name>
Nebularine

>  <dtpname:Chemical Name>
NEBULARINE

>  <dtpname:Chemical Name>
Purinosine

>  <dtpname:Chemical Name>
Nebularin(E)

>  <dtpname:Chemical Name>
L 534857-0-2

>  <dtpname:Chemical Name>
Nebularin (E)

>  <dtpname:Chemical Name>
Ribosylpurine

>  <dtpname:Chemical Name>
Purine riboside

>  <dtpname:Chemical Name>
Purine, ribosyl-

>  <dtpname:Chemical Name>
Isopurine, ribosyl-

>  <dtpname:Chemical Name>
Purine ribonucleoside

>  <dtpname:Chemical Name>
9-Purine ribonucleoside

>  <dtpname:Chemical Name>
9-.beta.-Ribofuranosylpurine

>  <dtpname:Chemical Name>
9-(.beta.-D-Ribofuranosyl)purine

>  <dtpname:Chemical Name>
9H-Purine, 9.beta.-D-ribofuranosyl-

>  <dtpname:Chemical Name>
9H-Purine, 9-.beta.-D-ribofuranosyl-

>  <dtpname:Chemical Name>
WLN: T56 BN DN FN HNJ B- BT5OTJ CQ DQ E1Q

>  <dtpname:Chemical Name>
WLN: T56 BN DN FN HNJ D- BT5OTJ CQ DQ E1Q

$$$$
72961
  CML DOM 09261310252D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.3236   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -0.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9301   -5.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -2.9880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2299   -1.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -6.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3519   -9.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -8.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -7.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -3.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  9  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
72961

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
10299-44-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12N6O4

>  <Molecular Weight (nearest integer)>
268

>  <dtpname:Chemical Name>
8-Azadenosine

>  <dtpname:Chemical Name>
8-Azaadenosine

>  <dtpname:9th C.I.>
3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 3-.beta.-D-ribofuranosyl-

>  <dtpname:8th C.I.>
3H-v-Triazolo[4,5-d]pyrimidine, 7-amino-3-.beta.-D-ribofuranosyl-

$$$$
102811
  CML DOM 09261310252D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.3236   -1.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -3.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8117    0.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -0.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9301   -5.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2299   -1.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226   -0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9216   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -2.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2383   -6.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8118   -6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3519   -9.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3482   -8.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -7.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -3.9965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
102811

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6742-12-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13N5O4

>  <Molecular Weight (nearest integer)>
267

>  <dtpname:Chemical Name>
Formycin A

>  <dtpname:9th C.I.>
D-Ribitol, 1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)- 1,4-anhydro-, (S)-

>  <dtpname:8th C.I.>
1H-Pyrazolo[4,3-d]pyrimidine, 7-amino-3-.beta.-D-ribofuranosyl-

$$$$
39863
  CML DOM 09261310252D

 35 40  0  0  0  0  0  0  0  0999 V2000
  -10.6384   -7.0082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3394   -9.2582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4422  -10.0082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.5355  -10.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.2365   -8.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4423   -5.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3884   -3.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1805   -3.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  1 25  1  0  0  0  0
  2 25  2  0  0  0  0
  2 22  1  0  0  0  0
 21  3  1  6  0  0  0
 14  4  1  6  0  0  0
 15  5  1  1  0  0  0
 13  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
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  7 35  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 33  1  1  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 32  1  1  0  0  0
 17 18  1  0  0  0  0
 18 22  2  0  0  0  0
 18 19  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <NSC>
39863

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H36N2O

>  <Molecular Weight (nearest integer)>
417

$$$$
165897
  CML DOM 09261310252D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8211    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    7.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
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  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <NSC>
165897

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
40448-85-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H14N2O2S

>  <Molecular Weight (nearest integer)>
274

>  <dtpname:Chemical Name>
2-CYANO-6-METHOXY-1(2H)-QUINOLINECARBOTHIOIC ACID, S-ETHYL ESTER

>  <dtpname:Chemical Name>
1(2H)Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-ethyl ester

>  <dtpname:Chemical Name>
1(2H)-Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-ethyl ester

$$$$
636126
  CML DOM 09261310252D

 22 23  0  0  0  0  0  0  0  0999 V2000
  -13.7404   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15 20  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
636126

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H17NO3

>  <Molecular Weight (nearest integer)>
295

$$$$
305819
  CML DOM 09261310252D

 32 32  0  0  0  0  0  0  0  0999 V2000
    2.2704   14.4088    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0204   15.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9713   15.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5204   13.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5694   13.6588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6600    8.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2581    7.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9590    9.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5571    6.4971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1552    6.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4542   11.7471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0523   11.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0523   10.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7533    9.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2581   11.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 18 28  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <NSC>
305819

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C18H20F6N2O.H3O4P

>  <Molecular Weight (nearest integer)>
492

>  <dtpname:Chemical Name>
1-(2,8 -is(trifluoromethyl)quinolin-4-yl)-3-(tert-butylamino)propan-1-ol, phosphoric acid

$$$$
49451
  CML DOM 09261310252D

 43 46  0  0  0  0  0  0  0  0999 V2000
   -1.1136    3.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835    8.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835    7.1788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816    7.1788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5085   10.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   11.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4063    9.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1072    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9889    7.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806    7.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816    8.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    7.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806    6.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    6.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816    5.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835    5.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4845    6.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8374    9.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4665   11.8728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4889    7.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1072    5.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2246   13.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1368   10.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9637   13.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9922   11.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0712   12.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5131   12.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7083   14.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 12  2  0  0  0  0
 16  3  1  6  0  0  0
 15  4  1  1  0  0  0
  5  8  1  0  0  0  0
  5 28  1  0  0  0  0
  5 31  1  1  0  0  0
  5  6  1  0  0  0  0
  6 34  2  0  0  0  0
  6 35  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 32  1  6  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  1  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  6  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  1  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 18 24  1  1  0  0  0
 19 22  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <NSC>
49451

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <CAS>
6199-67-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H46O8

>  <Molecular Weight (nearest integer)>
559

>  <dtpname:Chemical Name>
CUCURBITACIN B

>  <dtpname:Chemical Name>
Cucurbitacin B

>  <dtpname:Chemical Name>
Cucurbitacine (B)

>  <dtpname:Chemical Name>
Datiscn Principle B

>  <dtpname:Chemical Name>
Datisca principle B

>  <dtpname:Chemical Name>
19-nor-9.beta.,10.alpha.-Lanosta-5,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-, 25-acetate

>  <dtpname:Chemical Name>
19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, [2.beta.,.gamma.,.beta.,10.alpha.,16.alpha.]-

>  <dtpname:9th C.I.>
19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-

$$$$
615593
  CML DOM 09261310252D

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 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
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 51 52  2  0  0  0  0
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 56 57  1  0  0  0  0
 56 67  1  0  0  0  0
 57 58  2  0  0  0  0
 57 64  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  1  0  0  0  0
 60 61  1  0  0  0  0
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 60 63  2  0  0  0  0
 64 65  2  0  0  0  0
 65 66  1  0  0  0  0
 66 67  2  0  0  0  0
 68 69  2  0  0  0  0
 68 70  1  0  0  0  0
 70 71  2  0  0  0  0
 70 72  1  0  0  0  0
 74 75  2  0  0  0  0
 75 76  1  0  0  0  0
 75 77  1  0  0  0  0
 78 79  2  0  0  0  0
 79 80  1  0  0  0  0
 79 81  1  0  0  0  0
M  CHG  5   1   2   2   1  10   1  30  -1  61  -1
M  END
>  <NSC>
615593

>  <Release>
October 2011

>  <Structure Source>
DTP/NCI DIS export via PP

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - O(a74) connected atoms =[ Pt S ]

>  <Molecular Formula in DIS>
C24H42N2O6PtS2.C32H22N6O6S2

>  <Molecular Weight (nearest integer)>
1365

$$$$
