32065
  CML DOM 08121414082D

  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-

$$$$
362856
  CML DOM 08121414082D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -6.0018    0.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9903   -1.4404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6855   -2.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3923   -1.4205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4038    0.0795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7086    0.8195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4319    0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3042   -0.7082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4132   -1.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9064    1.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9113    3.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6739   -3.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3760    2.2356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875   -2.1604    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  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 12  2  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  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
362856

>  <Release>
October 2011

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

>  <CAS>
85622-93-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H6N6O2

>  <Molecular Weight (nearest integer)>
194

>  <dtpname:USAN>
Temozolomide

>  <dtpname:Brand Name>
Methazolastone

>  <dtpname:Brand Name>
Temodar

>  <dtpname:Brand Name>
Temodal

>  <dtpname:Chemical Name>
TMZ

>  <dtpname:Chemical Name>
Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-

$$$$
409962
  CML DOM 08121414082D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.2500    0.0000 Cl  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 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
    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
    4.6471    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 O   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
    7.2452    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    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
  4  8  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <NSC>
409962

>  <Release>
October 2011

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

>  <CAS>
154-93-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H9Cl2N3O2

>  <Molecular Weight (nearest integer)>
214

>  <dtpname:USAN>
Carmustine

>  <dtpname:Brand Name>
Bi CNU

>  <dtpname:Chemical Name>
BCNU

>  <dtpname:Chemical Name>
Bis(chloroethyl)nitrosourea

>  <dtpname:Chemical Name>
1,3-Bis(2-chloroethyl)nitrosourea

>  <dtpname:Chemical Name>
N,N'-Bis(2-chloroethyl)-N-nitrosourea

>  <dtpname:Chemical Name>
Nitrumon

>  <dtpname:Chemical Name>
Carmustin

>  <dtpname:Chemical Name>
Carmubris

>  <dtpname:Chemical Name>
Bis(2-chloroethyl)nitrosourea

>  <dtpname:Chemical Name>
1,3-Bis(2-chloroethyl)-1-nitrosourea

>  <dtpname:Chemical Name>
1,3-Bis(.beta.-chloroethyl)-1-nitrosourea

>  <dtpname:Chemical Name>
SRI 1720

>  <dtpname:Chemical Name>
SK 27702

>  <dtpname:Chemical Name>
FDA 0345

>  <dtpname:Chemical Name>
NSC 409962

>  <dtpname:Chemical Name>
NSC-409962

>  <dtpname:Chemical Name>
NCI-C04773

>  <dtpname:Chemical Name>
WLN: ONN2GVM2G

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

>  <dtpname:8th C.I.>
Urea, 1,3-bis(2-chloroethyl)-1-nitroso-

$$$$
109724
  CML DOM 08121414082D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.9578   -0.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2697   -0.1749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2959    1.3248    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0101    2.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6982    1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720   -0.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5555   -0.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5293   -2.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8151   -3.2198    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2567   -0.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7291   -0.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2175   -2.0841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8334    2.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7683    1.0387    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 13  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
M  END
>  <NSC>
109724

>  <Release>
October 2011

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

>  <CAS>
3778-73-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H15Cl2N2O2P

>  <Molecular Weight (nearest integer)>
261

>  <dtpname:USAN>
Ifosfamide

>  <dtpname:Brand Name>
Mitoxana

>  <dtpname:Brand Name>
Ifex

>  <dtpname:Chemical Name>
Isoendoxan

>  <dtpname:Chemical Name>
Asta Z 4942

>  <dtpname:Chemical Name>
Iphosphamid

>  <dtpname:Chemical Name>
Holoxan 1000

>  <dtpname:Chemical Name>
Iphosphamide

>  <dtpname:Chemical Name>
Isofosfamide

>  <dtpname:Chemical Name>
I-Phosphamide

>  <dtpname:Chemical Name>
Isophosphamide

>  <dtpname:Chemical Name>
2,3-N,N(sup 1)-Bis(2-chloroethyl)diamido-1,3,2-oxazaphosphoridinoxyd

>  <dtpname:Chemical Name>
2,3-N,N(sup 1)-Bis(2-chloroethyl)diamido-1,3,2-oxazaphosphoridinoxy-

>  <dtpname:Chemical Name>
N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylenephosphoric acid diamide

>  <dtpname:Chemical Name>
N-(2-Chloroethyl)-N'-(2-chloroethyl)-N',O-propylene phosphoric acid ester diamide

>  <dtpname:Chemical Name>
3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]perhydro-2H-1,3,2-oxazaphosphorineoxide

>  <dtpname:Chemical Name>
3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]perhydro-2H-1,3,2-oxazaphosphorine oxide

>  <dtpname:Chemical Name>
1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-, 2-oxide

>  <dtpname:Chemical Name>
3-(2-Chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide

>  <dtpname:Chemical Name>
Cyfos

>  <dtpname:Chemical Name>
Z4942

>  <dtpname:Chemical Name>
Z 4942

>  <dtpname:Chemical Name>
A 4942

>  <dtpname:Chemical Name>
Naxamide

>  <dtpname:Chemical Name>
MJF 9325

>  <dtpname:Chemical Name>
IFO

>  <dtpname:Chemical Name>
Ifosfamid

>  <dtpname:Chemical Name>
NSC 109724

>  <dtpname:Chemical Name>
NCI-C01638

>  <dtpname:Chemical Name>
NSC-109724

>  <dtpname:Chemical Name>
WLN: T6NPOTJ AM2G BO B2G

>  <dtpname:Chemical Name>
IFOSFAMIDE

>  <dtpname:9th C.I.>
2H-1,3,2-Oxazaphosphorin-2-amine, N,3-bis(2-chloroethyl)tetrahydro-, 2-oxide

>  <dtpname:8th C.I.>
2H-1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-, 2-oxide

$$$$
719344
  CML DOM 08121414082D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -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
   -5.9461   -8.2500    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
   -4.6471   -6.0000    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   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0001   -6.0082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4673   -5.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2173   -6.9954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2136   -8.1101    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   -8.2500    0.0000 C   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
   -5.9461   -0.7500    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4461   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981   -9.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -9.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4461   -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
  4 14  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
  8  9  1  0  0  0  0
  8 12  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
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  3  0  0  0  0
 17 18  3  0  0  0  0
M  END
>  <NSC>
719344

>  <Release>
October 2011

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

>  <CAS>
120511-73-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H19N5

>  <Molecular Weight (nearest integer)>
293

>  <dtpname:Brand Name>
Arimidex

>  <dtpname:Chemical Name>
ZD1033

>  <dtpname:Chemical Name>
ICI D1033

>  <dtpname:Chemical Name>
Anastrozole

>  <dtpname:Chemical Name>
Arimidex (Zeneca)

>  <dtpname:Chemical Name>
.alpha.,alpha.,.alpha.',.alpha.'-tetramethyl-5(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile

>  <dtpname:Chemical Name>
ANAS

>  <dtpname:9th C.I.>
1,3-Benzenediacetonitrile,.alpha.,alpha.,alpha.',.alpha.'-tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-

$$$$
25154
  CML DOM 08121414082D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.8726    5.5245    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
    4.1716    7.7745    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    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
   -2.3235    5.5245    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    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 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
    6.7697    9.2745    0.0000 O   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
   10.6668    7.0245    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  5  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
 10 11  2  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>
25154

>  <Release>
October 2011

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

>  <CAS>
54-91-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H16Br2N2O2

>  <Molecular Weight (nearest integer)>
356

>  <dtpname:USAN>
Pipobroman

>  <dtpname:Brand Name>
Amedel

>  <dtpname:Brand Name>
Vercyte

>  <dtpname:Chemical Name>
1,4-Bis(3-bromopropionyl)piperazine

>  <dtpname:Chemical Name>
N,N'-Bis(3-bromopropionyl)piperazine

>  <dtpname:Chemical Name>
A 1803

>  <dtpname:Chemical Name>
A-8103

>  <dtpname:Chemical Name>
NSC-25154

>  <dtpname:Chemical Name>
WLN: T6N DNTJ AV2E DV2E

>  <dtpname:9th C.I.>
Piperazine, 1,4-bis(3-bromo-1-oxopropyl)-

>  <dtpname:8th C.I.>
Piperazine, 1,4-bis(3-bromopropionyl)-

$$$$
757441
  CML DOM 08121414082D

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M  END
>  <NSC>
757441

>  <Release>
October 2011

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

>  <CAS>
319460-85-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H18N4OS

>  <Molecular Weight (calculated from formula)>
386.47

>  <dtpname:Chemical Name>
AG-013736

>  <dtpname:Chemical Name>
Axitinib

>  <dtpname:Chemical Name>
S1005

$$$$
732517
  CML DOM 08121414082D

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M  END
>  <NSC>
732517

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H26ClN7O2S

>  <Molecular Weight (nearest integer)>
488

>  <dtpname:USAN>
Dasatinib

>  <dtpname:Brand Name>
Sprycel

>  <dtpname:Chemical Name>
BMS-354825

>  <dtpname:Chemical Name>
N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide, monohydrate

$$$$
760766
  CML DOM 08121414082D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 28 29  1  0  0  0  0
M  END
>  <NSC>
760766

>  <Release>
October 2011

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

>  <CAS>
443913-73-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H24BrFN4O2

>  <Molecular Weight (calculated from formula)>
475.35

>  <dtpname:Chemical Name>
Vandetanib

>  <dtpname:Chemical Name>
V-9402

$$$$
758487
  CML DOM 08121414082D

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  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  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
 23 29  3  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 38  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
M  END
>  <NSC>
758487

>  <Release>
October 2011

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

>  <CAS>
943319-70-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H27F3N6O

>  <Molecular Weight (calculated from formula)>
532.56

>  <dtpname:Chemical Name>
Ponatinib

>  <dtpname:Chemical Name>
AP24534

>  <dtpname:Chemical Name>
A3349

>  <dtpname:Chemical Name>
S1490

>  <dtpname:Chemical Name>
Benzamide, 3-(2-imidazo[1,2-b]-pyridazin-3-ylethynyl)-4-methyl-N-[4[(4-methyl-1-piperazinyl)-methyl]-3-(trifluoromethyl)-phenyl]-

$$$$
1390
  CML DOM 08121414082D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -5.7581   -5.6905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4591   -4.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -2.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -7.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -2.9770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0291   -1.5504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473   -4.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -4.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600   -5.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -5.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4591   -3.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  3  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  7 11  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
M  END
>  <NSC>
1390

>  <Release>
October 2011

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

>  <CAS>
315-30-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H4N4O

>  <Molecular Weight (nearest integer)>
136

>  <dtpname:USAN>
Allopurinol

>  <dtpname:Brand Name>
Lopurin

>  <dtpname:Chemical Name>
4-HPP

>  <dtpname:Chemical Name>
HPP

>  <dtpname:Chemical Name>
4-Hydroxypyrazolo[3,4-d]pyrimidine

>  <dtpname:Chemical Name>
4-Hydroxy-1H-pyrazolo[3,4-d]pyrimidine

>  <dtpname:Chemical Name>
1H-Pyrazolo[3,4-d]pyrimidin-4-ol

>  <dtpname:Chemical Name>
Uripurinol

>  <dtpname:Chemical Name>
4-Hydroxy-3,4-pyrazolopyrimidine

>  <dtpname:Chemical Name>
4-Hydroxypyrazolyl[3,4-d]pyrimidine

>  <dtpname:Chemical Name>
4'-Hydroxypyrazolol[3,4-d]pyrimidine

>  <dtpname:Chemical Name>
B. W. 56-158

>  <dtpname:Chemical Name>
BW 56-158

>  <dtpname:Chemical Name>
BW 56158

>  <dtpname:Chemical Name>
Zyloprim

>  <dtpname:Chemical Name>
Gotax

>  <dtpname:Chemical Name>
Urbol

>  <dtpname:Chemical Name>
Geapur

>  <dtpname:Chemical Name>
Urosin

>  <dtpname:Chemical Name>
Apurol

>  <dtpname:Chemical Name>
Urolit

>  <dtpname:Chemical Name>
Anzief

>  <dtpname:Chemical Name>
Foligan

>  <dtpname:Chemical Name>
Milurit

>  <dtpname:Chemical Name>
Allopur

>  <dtpname:Chemical Name>
Uriprim

>  <dtpname:Chemical Name>
Progout

>  <dtpname:Chemical Name>
Zyloric

>  <dtpname:Chemical Name>
Ailural

>  <dtpname:Chemical Name>
Embarin

>  <dtpname:Chemical Name>
Xanturat

>  <dtpname:Chemical Name>
Uricemil

>  <dtpname:Chemical Name>
Bleminol

>  <dtpname:Chemical Name>
Bloxanth

>  <dtpname:Chemical Name>
Atisuril

>  <dtpname:Chemical Name>
Alositol

>  <dtpname:Chemical Name>
Ketobun-A

>  <dtpname:Chemical Name>
Epidropal

>  <dtpname:Chemical Name>
Anoprolin

>  <dtpname:Chemical Name>
Allopurinol(I)

>  <dtpname:Chemical Name>
WLN: T56 BMN GN INJ FQ

>  <dtpname:9th C.I.>
1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

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

>  <dtpname:8th C.I.>
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-

$$$$
750
  CML DOM 08121414082D

 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

$$$$
26271
  CML DOM 08121414082D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.7941    5.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7057    5.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325    3.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595    2.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4121    6.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5438    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572    8.8047    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6988    4.8756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172    4.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2490    5.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6674    4.8842    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5670    3.8911    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.7330    2.9475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8402    2.5790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  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
  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
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
26271

>  <Release>
October 2011

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

>  <CAS>
50-18-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C7H15Cl2N2O2P

>  <Molecular Weight (nearest integer)>
261

>  <dtpname:USAN>
Cyclophosphamide

>  <dtpname:Brand Name>
Cytoxan

>  <dtpname:Brand Name>
Neosar

>  <dtpname:Chemical Name>
Bis(2-chloroethyl)phosphoramide cyclic propanolamide ester

>  <dtpname:Chemical Name>
Mitoxan

>  <dtpname:Chemical Name>
Enduxan

>  <dtpname:Chemical Name>
Endoxan

>  <dtpname:Chemical Name>
Genoxal

>  <dtpname:Chemical Name>
Procytox

>  <dtpname:Chemical Name>
(-)-Cyclophosphamide

>  <dtpname:Chemical Name>
Endoxanal

>  <dtpname:Chemical Name>
Cyclostin

>  <dtpname:Chemical Name>
Cytophosphan

>  <dtpname:Chemical Name>
Endoxan-Asta

>  <dtpname:Chemical Name>
Cyclophosphan

>  <dtpname:Chemical Name>
Cyclophosphane

>  <dtpname:Chemical Name>
Cyclophosphamid

>  <dtpname:Chemical Name>
Cyclophosphamidum

>  <dtpname:Chemical Name>
2-[Bis(2-chloroethyl)amino]-2H-1,3,2-oxazaphosphorine 2-oxide

>  <dtpname:Chemical Name>
2-(Bis(2-chloroethyl)amino)-2H-1,3,2-oxazaphosphorine 2-oxide

>  <dtpname:Chemical Name>
N,N-Di(2-chloroethyl)-N,O-propylene-phosphoric acid ester diamide

>  <dtpname:Chemical Name>
N,N-Bis(2-chloroethyl)-N',O-propylenephosphoric acid ester diamide

>  <dtpname:Chemical Name>
N,N-Bis(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine-2-oxide

>  <dtpname:Chemical Name>
2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide

>  <dtpname:Chemical Name>
N,N-Bis(.beta.-chloroethyl)-N',O-trimethylenephosphoric acid ester diamide

>  <dtpname:Chemical Name>
Asta B 518

>  <dtpname:Chemical Name>
N,N-Bis(.beta.-chloroethyl)-N',O-propylenephosphoric acid ester amide monohydrate

>  <dtpname:Chemical Name>
NCI-C04900

>  <dtpname:Chemical Name>
Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, intramol. ester

>  <dtpname:Chemical Name>
[Bis(chloro-2-ethyl)amino]-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 hydrate

>  <dtpname:Chemical Name>
(Bis(chloro-2-ethyl)amino)-2-tetrahydro-3,4,5,6-oxazaphosphorine-1,3,2-oxide-2 hydrate

>  <dtpname:Chemical Name>
2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate

>  <dtpname:Chemical Name>
CP

>  <dtpname:Chemical Name>
CY

>  <dtpname:Chemical Name>
CPA

>  <dtpname:Chemical Name>
CTX

>  <dtpname:Chemical Name>
ASTA

>  <dtpname:Chemical Name>
B 518

>  <dtpname:Chemical Name>
Clafen

>  <dtpname:Chemical Name>
CB-4564

>  <dtpname:Chemical Name>
CB 4564

>  <dtpname:Chemical Name>
SK 20501

>  <dtpname:Chemical Name>
Endoxana

>  <dtpname:Chemical Name>
Sendoxan

>  <dtpname:Chemical Name>
Senduxan

>  <dtpname:Chemical Name>
Endoxane

>  <dtpname:Chemical Name>
Hexadrin

>  <dtpname:Chemical Name>
Semdoxan

>  <dtpname:Chemical Name>
Claphene

>  <dtpname:Chemical Name>
Endoxan R

>  <dtpname:Chemical Name>
NSC 26271

>  <dtpname:Chemical Name>
WLN: T6MPOTJ BO BN2G2G

>  <dtpname:9th C.I.>
2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide

>  <dtpname:8th C.I.>
2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide

>  <dtpname:German Name>
Zyklophosphamid

>  <dtpname:German Name>
N,N-Bis-(.beta.-chloraethyl)-N',O-propylen-phosphorsaeure-ester-diamid

$$$$
119875
  CML DOM 08121414082D

  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-

$$$$
719345
  CML DOM 08121414082D

 22 24  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -6.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0317   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4952   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9952   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4587   -2.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -8.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -8.3083    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 21  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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  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 19  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  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  3  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <NSC>
719345

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H11N5

>  <Molecular Weight (nearest integer)>
285

>  <dtpname:USAN>
Letrozole

>  <dtpname:Brand Name>
Femara

>  <dtpname:Chemical Name>
LT2

>  <dtpname:Chemical Name>
CGS 20267

>  <dtpname:Chemical Name>
4,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile

$$$$
71423
  CML DOM 08121414082D

 31 34  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 H   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
    0.8736    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2283    5.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3302    3.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2635    5.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8384    4.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9916    7.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1452    4.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0296   12.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    2.9372   13.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760   14.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5948   11.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  1  0  0  0
  5 28  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  1  0  0  0
  8  9  1  0  0  0  0
  9 12  1  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
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <NSC>
71423

>  <Release>
October 2011

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

>  <CAS>
595-33-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H32O4

>  <Molecular Weight (nearest integer)>
385

>  <dtpname:USAN>
Megestrol acetate

>  <dtpname:INN:BAN>
Megestrol

>  <dtpname:Brand Name>
Megace

>  <dtpname:Chemical Name>
Progesterone, 6-dehydro-17-hydroxy-6-methyl-, acetate

>  <dtpname:Chemical Name>
17-Acetoxy-6-methylpregna-4,6-diene-3,20-dione

>  <dtpname:Chemical Name>
Megestryl acetate

>  <dtpname:Chemical Name>
6-Methyl-6-dehydro-17.alpha.-acetylprogesterone

>  <dtpname:Chemical Name>
6-Methyl-6-dehydro-17.alpha.-acetoxyprogesterone

>  <dtpname:Chemical Name>
17.alpha.-Acetoxy-6-dehydro-6-methylprogesterone

>  <dtpname:Chemical Name>
6-Dehydro-6-methyl-17.alpha.-acetoxyprogesterone

>  <dtpname:Chemical Name>
17.alpha.-Acetoxy-6-methyl-4,6-pregnadiene-3,20-dione

>  <dtpname:Chemical Name>
17.alpha.-Acetoxy-6-methylpregna-4,6-diene-3,20-dione

>  <dtpname:Chemical Name>
17-Hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate

>  <dtpname:Chemical Name>
6-Methyl-17.alpha.-hydroxy-.delta.(sup 6)-progesterone acetate

>  <dtpname:Chemical Name>
Niagestin

>  <dtpname:Chemical Name>
Magestin

>  <dtpname:Chemical Name>
SC-10363

>  <dtpname:Chemical Name>
BDH 1298

>  <dtpname:Chemical Name>
Ovaban

>  <dtpname:Chemical Name>
Ovarid

>  <dtpname:Chemical Name>
Volidan

>  <dtpname:Chemical Name>
Megeron

>  <dtpname:Chemical Name>
S4

>  <dtpname:Chemical Name>
Nia

>  <dtpname:Chemical Name>
5071

>  <dtpname:Chemical Name>
DMAP

>  <dtpname:Chemical Name>
SC 10363

>  <dtpname:Chemical Name>
WLN: L E5 B666 OV KU MUTJ A1 E1 FV1 FOV1 L1

>  <dtpname:9th C.I.>
Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-

>  <dtpname:8th C.I.>
Pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-, acetate

$$$$
279836
  CML DOM 08121414082D

 32 34  0  0  0  0  0  0  0  0999 V2000
    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
    9.8433    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    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    3.7500    0.0000 C   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
   11.1423    6.0000    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    3.7500    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    6.0000    0.0000 C   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    1.5000    0.0000 O   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    0.7500    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
    3.3481    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
    5.9462    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
   13.7404    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    1.5000    0.0000 O   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
    0.7500    1.5000    0.0000 O   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
    8.5442    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    8.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    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  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  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 30  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 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 25  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 27  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <NSC>
279836

>  <Release>
October 2011

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

>  <CAS>
65271-80-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H28N4O6

>  <Molecular Weight (nearest integer)>
444

>  <dtpname:USAN>
Mitoxantrone

>  <dtpname:INN:BAN>
Mitozantrone

>  <dtpname:Brand Name>
Novantrone

>  <dtpname:Chemical Name>
DHAQ

>  <dtpname:Chemical Name>
Dihydroxyanthraquinone

>  <dtpname:Chemical Name>
Mitoxantrone (free base)

>  <dtpname:Chemical Name>
9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl] amino]-

>  <dtpname:Chemical Name>
Mitroxone

>  <dtpname:Chemical Name>
Mitoxantrone hydrochloride

$$$$
737754
  CML DOM 08121414082D

 32 34  0  0  0  0  0  0  0  0999 V2000
  -13.3574    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3574    0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0584    0.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7594    0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7594    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0584    3.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3328    0.4010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4511    1.6145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  -15.9555   -3.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6565   -4.3855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3574   -3.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3574   -2.1355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5632   -5.1355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9511    1.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8693    4.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9555    0.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.0584   -4.3855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  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
 15 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 17 31  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 26  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  2  0  0  0  0
 24 30  1  0  0  0  0
M  END
>  <NSC>
737754

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H23N7O2S.HCl

>  <Molecular Weight (nearest integer)>
474

$$$$
761431
  CML DOM 08121414082D

 33 36  0  0  0  0  0  0  0  0999 V2000
  -15.5854   -5.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5854   -6.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2863   -7.7433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2863   -4.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6790   -6.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5607   -5.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9873   -5.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9873   -6.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8844   -4.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0972   -3.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6300   -3.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1009   -2.4885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6263   -4.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1591   -4.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6955   -2.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6992   -1.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1665   -1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6881   -4.8970    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0000   -3.4298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3763   -6.3642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2209   -4.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172   -5.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8844   -3.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1835   -2.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4825   -3.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4825   -4.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1835   -5.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7815   -2.4933    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5607   -7.4568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1702   -0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0898   -5.8326    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1554   -5.2089    0.0000 N   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  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  5 30  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 30  1  0  0  0  0
  9 23  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 17  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 33  1  0  0  0  0
 21 22  1  0  0  0  0
 22 29  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
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <NSC>
761431

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H18ClF2N3O3S

>  <Molecular Weight (calculated from formula)>
489.92

>  <dtpname:Chemical Name>
vemurafenib

>  <dtpname:Chemical Name>
Zelboraf

>  <dtpname:Chemical Name>
PLX4032

>  <dtpname:Chemical Name>
RG7204

$$$$
761068
  CML DOM 08121414082D

 37 41  0  0  0  0  0  0  0  0999 V2000
   -4.1381    1.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1381    1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    0.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520    1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7520    1.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    2.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600    0.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670    1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670    1.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600    2.3942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600   -0.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670   -1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6740   -1.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189   -1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6740   -0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038   -1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038   -0.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7899   -1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7899   -0.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0968   -1.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6949   -2.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989   -2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759   -1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688   -1.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5609   -1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5609   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688   -0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759   -0.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2538   -0.0058    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7119   -1.6057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4829   -1.6057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8310    2.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5238    1.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8310    0.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5238    1.1942    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 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  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
  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
 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 32  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 25 33  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
 28 31  1  0  0  0  0
 29 30  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <NSC>
761068

>  <Release>
October 2011

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

>  <CAS>
849217-68-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H24FN3O5

>  <Molecular Weight (calculated from formula)>
501.51

>  <dtpname:USAN>
Cabozantinib

>  <dtpname:Chemical Name>
Cometriq

>  <dtpname:Chemical Name>
CT-XL184

>  <dtpname:Chemical Name>
XL184

>  <dtpname:Chemical Name>
C3627

$$$$
19893
  CML DOM 08121414082D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.6033   -6.0090    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -3.0090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -1.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -7.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -5.2590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -6.0090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -3.0090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -3.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -3.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -5.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -6.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  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
M  END
>  <NSC>
19893

>  <Release>
October 2011

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

>  <CAS>
51-21-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C4H3FN2O2

>  <Molecular Weight (nearest integer)>
130

>  <dtpname:USAN>
Fluorouracil

>  <dtpname:Brand Name>
Efudex

>  <dtpname:Chemical Name>
5-FU

>  <dtpname:Chemical Name>
5-Fluorouracil

>  <dtpname:Chemical Name>
Adrucil

>  <dtpname:Chemical Name>
5-Fluoro-2,4-pyrimidinedione

>  <dtpname:Chemical Name>
5-Fluoropyrimidine-2,4-dione

>  <dtpname:Chemical Name>
5-Fluoro-2,4(1H,3H)-pyrimidinedione

>  <dtpname:Chemical Name>
Uracil, 5-fluoro-

>  <dtpname:Chemical Name>
Effluderm (free base)

>  <dtpname:Chemical Name>
FU

>  <dtpname:Chemical Name>
Fluoroblastin

>  <dtpname:Chemical Name>
5-Ftouracyl

>  <dtpname:Chemical Name>
Fluoroplex

>  <dtpname:Chemical Name>
Timazin

>  <dtpname:Chemical Name>
Fluracil

>  <dtpname:Chemical Name>
Carzonal

>  <dtpname:Chemical Name>
Kecimeton

>  <dtpname:Chemical Name>
Ro 2-9757

>  <dtpname:Chemical Name>
FLUOROURACIL

>  <dtpname:Chemical Name>
Ulup

>  <dtpname:Chemical Name>
5-Fu

>  <dtpname:Chemical Name>
Fluri

>  <dtpname:Chemical Name>
Arumel

>  <dtpname:Chemical Name>
Fluril

>  <dtpname:Chemical Name>
Efudix

>  <dtpname:Chemical Name>
U-8953

>  <dtpname:Chemical Name>
NSC-19893

>  <dtpname:Chemical Name>
NSC 19893

>  <dtpname:Chemical Name>
WLN: T6MVMVJ EF

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

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

>  <dtpname:VAN>
Uracil, 5-fluoro-

$$$$
13875
  CML DOM 08121414082D

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.5104   -0.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094    1.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085   -0.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085    1.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5104    1.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094   -1.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2113    1.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123    1.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2113    3.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8094   -2.7201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5104   -3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1085   -3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4075    1.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7065    1.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4075    3.2799    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 13  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
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
13875

>  <Release>
October 2011

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

>  <CAS>
645-05-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H18N6

>  <Molecular Weight (nearest integer)>
210

>  <dtpname:USAN>
Altretamine

>  <dtpname:Brand Name>
Hexalen

>  <dtpname:Chemical Name>
Hemel

>  <dtpname:Chemical Name>
Hexamethylmelamine

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

>  <dtpname:Chemical Name>
s-Triazine, 2,4,6-tris(dimethylamino)-

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

>  <dtpname:Chemical Name>
Hexastat

>  <dtpname:Chemical Name>
ENT 50852

>  <dtpname:Chemical Name>
NSC 13875

>  <dtpname:Chemical Name>
HXM

>  <dtpname:Chemical Name>
HTM

>  <dtpname:Chemical Name>
HMM

>  <dtpname:Chemical Name>
NC 195

>  <dtpname:Chemical Name>
NCI-C50259

>  <dtpname:Chemical Name>
HEXAMETHYLMELAMINE

>  <dtpname:Chemical Name>
WLN: T6N CN ENJ BN1&1 DN1&1 FN1&1

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

>  <dtpname:8th C.I.>
Melamine, hexamethyl-

$$$$
34462
  CML DOM 08121414082D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -9.7500   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -2.0491    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
   -8.2500   -3.3481    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
   -1.5000   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.3481    0.0000 N   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
   -1.5000   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.9462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -2.0491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -4.6471    0.0000 N   0  0  0  0  0  0  0  0  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 10  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
34462

>  <Release>
October 2011

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

>  <CAS>
66-75-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H11Cl2N3O2

>  <Molecular Weight (nearest integer)>
252

>  <dtpname:USAN>
Uracil mustard

>  <dtpname:INN:BAN>
Uramustine

>  <dtpname:Chemical Name>
Uracil nitrogen mustard

>  <dtpname:Chemical Name>
Aminouracil mustard

>  <dtpname:Chemical Name>
5-[Di(2-chloroethyl)amino]uracil

>  <dtpname:Chemical Name>
Nordopan

>  <dtpname:Chemical Name>
5-[Bis(2-chloroethyl)amino]uracil

>  <dtpname:Chemical Name>
Uramustin

>  <dtpname:Chemical Name>
5-[Di(.beta.-chloroethyl)amino]uracil

>  <dtpname:Chemical Name>
2,6-Dihydroxy-5-bis[2-chloroethyl]aminopyrimidine

>  <dtpname:Chemical Name>
5-[Bis(2-chlorethyl)amino]-2,4(1H,3H)pyrimidinedione

>  <dtpname:Chemical Name>
U 8344

>  <dtpname:Chemical Name>
U-8344

>  <dtpname:Chemical Name>
CB-4835

>  <dtpname:Chemical Name>
SK-19849

>  <dtpname:Chemical Name>
ENT 50439

>  <dtpname:Chemical Name>
Uracillost

>  <dtpname:Chemical Name>
Uracilmostaza

>  <dtpname:Chemical Name>
Demethyldopan

>  <dtpname:Chemical Name>
Desmethyldopan

>  <dtpname:Chemical Name>
Chlorethaminacil

>  <dtpname:Chemical Name>
NSC-34462

>  <dtpname:Chemical Name>
NCI-C04820

>  <dtpname:Chemical Name>
URACIL NITROGEN MUSTARD

>  <dtpname:Chemical Name>
WLN: T6MVMVJ EN2G2G

>  <dtpname:9th C.I.>
2,4(1H,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-

>  <dtpname:8th C.I.>
Uracil, 5-[bis(2-chloroethyl)amino]-

$$$$
122758
  CML DOM 08121414082D

 22 22  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
  -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 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
   -5.9461   -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
   -3.3481   -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
  -16.3385   -3.0000    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
  -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
  -16.0036   -1.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0752   -1.1009    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
   -9.8433   -0.7500    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
   -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 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  2  2  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 18  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
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
122758

>  <Release>
October 2011

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

>  <CAS>
302-79-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H28O2

>  <Molecular Weight (nearest integer)>
300

>  <dtpname:USAN>
Tretinoin

>  <dtpname:Brand Name>
Vesanoid

>  <dtpname:Chemical Name>
ATRA

>  <dtpname:Chemical Name>
all trans-Retinoic acid

>  <dtpname:Chemical Name>
Retinoic acid

>  <dtpname:Chemical Name>
Vitamin A acid

>  <dtpname:Chemical Name>
Retin-A

>  <dtpname:Chemical Name>
Tretinoin, all-trans-

>  <dtpname:Chemical Name>
all-trans-Retinoic acid

>  <dtpname:Chemical Name>
all-trans-Vitamin A acid

>  <dtpname:Chemical Name>
Vitamin A acid, all-trans-

>  <dtpname:Chemical Name>
Vitamin A1 acid, all-trans-

>  <dtpname:Chemical Name>
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid

>  <dtpname:Chemical Name>
2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

>  <dtpname:Chemical Name>
2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-

>  <dtpname:Chemical Name>
Airol

>  <dtpname:Chemical Name>
Eudyna

>  <dtpname:Chemical Name>
Aberel

>  <dtpname:Chemical Name>
Aknoten

>  <dtpname:Chemical Name>
Aknefug

>  <dtpname:Chemical Name>
Dermairol

>  <dtpname:Chemical Name>
trans-Retinoic acid

>  <dtpname:Chemical Name>
.beta.-Retinoic acid

>  <dtpname:Chemical Name>
Alltrans-retinoic acid

>  <dtpname:Chemical Name>
RETINOIC ACID

>  <dtpname:Chemical Name>
WLN: L6UTJ A1 B1U1Y1&U2U1Y1&U1VQ C1 C1

>  <dtpname:Chemical Name>
WLN: L6UTJ A1 B1U1Y1 & U2U1Y1 & U1VQ C1 C1

>  <dtpname:9th C.I.>
Retinoic acid

>  <dtpname:8th C.I.>
Retinoic acid, all-trans-

$$$$
747972
  CML DOM 08121414082D

 19 21  0  0  0  0  0  0  0  0999 V2000
  -11.6563   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6563   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -4.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -3.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1681   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -6.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -0.7920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.0911    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
  3 17  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
  7  8  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
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 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
 14 19  1  0  0  0  0
M  END
>  <NSC>
747972

>  <Release>
October 2011

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

>  <CAS>
191732-72-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H13N3O3

>  <Molecular Weight (calculated from formula)>
259.26

>  <dtpname:USAN>
Lenalidomide

>  <dtpname:Brand Name>
Revlimid

>  <dtpname:Chemical Name>
CC-5013

>  <dtpname:Chemical Name>
3-(7-Amino-3-oxo-1H-isoindol-2-yl)-piperidine-2,6-dione

>  <dtpname:Chemical Name>
2,6-Piperidinedione, 3-(4-amino-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-

$$$$
138783
  CML DOM 08121414082D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -9.2545   -6.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2545   -7.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9555   -8.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6564   -7.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6564   -6.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9555   -5.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2298   -8.1727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3482   -6.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2298   -5.7456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5535   -8.4591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8526   -7.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5535   -9.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1516   -8.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1516   -9.9591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -11.8526  -10.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8526  -12.2091    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482   -6.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0982   -5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982   -5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7663   -4.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518   -4.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518   -4.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982   -3.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3393   -9.6034    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
  2 10  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  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  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
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
138783

>  <Release>
October 2011

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

>  <CAS>
3543-75-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H21Cl2N3O2.ClH

>  <Molecular Weight (nearest integer)>
395

>  <dtpname:USAN>
bendamustine hydrochloride

>  <dtpname:Brand Name>
Ribomustin

>  <dtpname:Brand Name>
Treanda

>  <dtpname:Chemical Name>
IMET 3393

>  <dtpname:Chemical Name>
Cytostasan

>  <dtpname:Chemical Name>
2-Benzimidazolinebutryric acid, 1-methyl-5-bis(2-chloroethyl)amino-, hydrochloride

>  <dtpname:Chemical Name>
SDX-105

>  <dtpname:Chemical Name>
WLN: T56 BN DNJ B1 C3VQ GN2G2G &GH

>  <dtpname:9th C.I.>
1H-Benzimidazole-2-butanoic acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, monohydrochloride

>  <dtpname:8th C.I.>
2-Benzimidazolebutyric acid, 5-[bis(2-chloroethyl)amino]-1-methyl-, monohydrochloride

>  <dtpname:German Name>
.gamma.(1-Methyl-5-bis(.beta.-chloraethyl)aminobenzimidazolyl)buttersaeurehydrochlorid

>  <dtpname:German Name>
.gamma.-[1-Methyl-5-bis(.beta.-chloroaethyl)aminobenzimidazoyl]buttersauere hydrochlorid

$$$$
698037
  CML DOM 08121414082D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.0412    2.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375    3.4308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5010    4.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9683    5.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9720    4.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7547    7.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5777    0.8895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392    4.3664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490    6.1565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1251    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241    7.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7231    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    7.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3212    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6202    7.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6202    8.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3212    9.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    8.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9193    9.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9193   11.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5174    9.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8164    8.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1154    9.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2183    8.9111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5174   11.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2183   11.9111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8164   11.9111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4145    8.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7135    9.6611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4145    7.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5084    2.6280    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
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 28 30  2  0  0  0  0
M  END
>  <NSC>
698037

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H21N5O6

>  <Molecular Weight (nearest integer)>
427

>  <dtpname:USAN>
Pemetrexed Disodium

>  <dtpname:INN:BAN>
Pemetrexed

>  <dtpname:Brand Name>
Alimta

>  <dtpname:Brand Name>
Rolazar

>  <dtpname:Brand Name>
Tifolar

>  <dtpname:Chemical Name>
MTA

>  <dtpname:Chemical Name>
LY231514

>  <dtpname:Chemical Name>
L-Glutamic acid, N-[4-[2-[2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]-

$$$$
743414
  CML DOM 08121414082D

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 32 33  1  0  0  0  0
M  END
>  <NSC>
743414

>  <Release>
October 2011

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

>  <CAS>
152459-95-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H31N7O

>  <Molecular Weight (calculated from formula)>
493.60

>  <dtpname:USAN>
Imatinib mesylate

>  <dtpname:Brand Name>
Gleevec

>  <dtpname:Brand Name>
Glivec

>  <dtpname:Chemical Name>
Imatinib

>  <dtpname:Chemical Name>
STI571

>  <dtpname:Chemical Name>
CGP 57148

>  <dtpname:Chemical Name>
4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide

$$$$
763932
  CML DOM 08121414082D

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M  END
>  <NSC>
763932

>  <Release>
October 2011

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

>  <CAS>
755037-03-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H15ClF4N4O3

>  <Molecular Weight (calculated from formula)>
482.82

>  <dtpname:USAN>
Regorafenib

>  <dtpname:Chemical Name>
BAY 73-4506

>  <dtpname:Chemical Name>
A-1112

$$$$
765694
  CML DOM 08121414082D

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 31 32  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
>  <NSC>
765694

>  <Release>
October 2011

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

>  <CAS>
380843-75-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H29Cl2N5O3

>  <Molecular Weight (calculated from formula)>
530.45

>  <dtpname:USAN>
Bosutinib

>  <dtpname:Chemical Name>
B18771

>  <dtpname:Chemical Name>
PZ0192

>  <dtpname:Chemical Name>
4-(2,4-Dichloro-5-methoxyphenylamino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile

$$$$
752
  CML DOM 08121414082D

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    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
    2.6857   -4.7164    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  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2  4  1  0  0  0  0
  3  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  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
 12 13  1  0  0  0  0
M  END
>  <NSC>
752

>  <Release>
October 2011

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

>  <CAS>
154-42-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H5N5S

>  <Molecular Weight (nearest integer)>
167

>  <dtpname:USAN>
Thioguanine

>  <dtpname:USAN>
6-Thioguanine

>  <dtpname:Brand Name>
Lanvis

>  <dtpname:Brand Name>
Tioguanine

>  <dtpname:Chemical Name>
6-Mercaptoguanine

>  <dtpname:Chemical Name>
2-Aminopurine-6-thiol

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

>  <dtpname:Chemical Name>
Tioguanin

>  <dtpname:Chemical Name>
TG

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

>  <dtpname:Chemical Name>
X 27

>  <dtpname:Chemical Name>
6-Mercapto-2-aminopurine

>  <dtpname:Chemical Name>
Purine-6-thiol, 2-amino-

>  <dtpname:Chemical Name>
BW 5071

>  <dtpname:Chemical Name>
2-Aminopurine-6(1H)-thione

>  <dtpname:Chemical Name>
Tabloid

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

>  <dtpname:Chemical Name>
Thioguanine

>  <dtpname:Chemical Name>
Wellcome U3B

>  <dtpname:Chemical Name>
6-THIOGUANINE

>  <dtpname:Chemical Name>
NSC 752

>  <dtpname:Chemical Name>
2-Aminopurin-6-thiol

>  <dtpname:Chemical Name>
WLN: T56 BNM FYM INJ FUS HZ

>  <dtpname:9th C.I.>
6H-Purine-6-thione, 2-amino-1,7-dihydro-

>  <dtpname:8th C.I.>
Purine-6(1H)-thione, 2-amino-

>  <dtpname:VAN>
Thioguanine

>  <dtpname:VAN>
Guanine, thio-

$$$$
27640
  CML DOM 08121414082D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -5.9462   10.1421    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5616    4.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   11.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    7.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    7.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   10.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    9.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    7.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    7.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    5.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    4.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    3.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0981    3.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164    2.1203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    9.3921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9797    2.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3696    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  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  9  2  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
  9 15  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 14  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
27640

>  <Release>
October 2011

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

>  <CAS>
50-91-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11FN2O5

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:USAN>
Floxuridine

>  <dtpname:Brand Name>
FUDR

>  <dtpname:Chemical Name>
5-FUDR

>  <dtpname:Chemical Name>
FdUrd

>  <dtpname:Chemical Name>
5-Fluorodeoxyuridine

>  <dtpname:Chemical Name>
5-Fluoro-2'-deoxyuridine

>  <dtpname:Chemical Name>
Fluorodeoxyuridine

>  <dtpname:Chemical Name>
Deoxyfluorouridine

>  <dtpname:Chemical Name>
2'-Deoxy-5-fluorouridine

>  <dtpname:Chemical Name>
Fluoruridine deoxyribose

>  <dtpname:Chemical Name>
5-Fluorouracil deoxyriboside

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

>  <dtpname:Chemical Name>
5-Fluorouracil 2'-deoxyriboside

>  <dtpname:Chemical Name>
1.beta.-D-2'-Deoxyribofuranosyl-5-flurouracil

>  <dtpname:Chemical Name>
Floxuridin

>  <dtpname:Chemical Name>
Ro 5-0360

>  <dtpname:Chemical Name>
FDUR

>  <dtpname:Chemical Name>
NSC-27640

>  <dtpname:Chemical Name>
NSC 27640

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

>  <dtpname:9th C.I.>
Uridine, 2'-deoxy-5-fluoro-

>  <dtpname:8th C.I.>
Uridine, 2'-deoxy-5-fluoro-

$$$$
63878
  CML DOM 08121414082D

 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

$$$$
169780
  CML DOM 08121414082D

 20 21  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   -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
   -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
   -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   -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
   -0.9240   -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
    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
   -0.9240   -4.3995    0.0000 C   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
    2.9731   -6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   -7.9486    0.0000 C   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
   -7.4192   -8.1495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4731   -7.9486    0.0000 H   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
  9 20  1  6  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 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <NSC>
169780

>  <Release>
October 2011

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

>  <CAS>
24584-09-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H16N4O4

>  <Molecular Weight (nearest integer)>
268

>  <dtpname:USAN>
Dexrazoxane

>  <dtpname:Brand Name>
Zinecard

>  <dtpname:Brand Name>
Totect

>  <dtpname:Chemical Name>
ICRF-187

>  <dtpname:Chemical Name>
(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane

>  <dtpname:Chemical Name>
Soluble ICRF (L-isosomer)

>  <dtpname:Chemical Name>
(S)-(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane

>  <dtpname:Chemical Name>
ADR 529

>  <dtpname:Chemical Name>
2,6-Piperazinedione,4,4'-(1-methyl-1,2-ethanediyl)bis-, (S)-

>  <dtpname:9th C.I.>
2,6-Piperazinedione,4,4'-[(1S)-1-methyl-1,2-ethanediyl]bis-

>  <dtpname:8th C.I.>
2,6-Piperazinedione, 4,4'-propylenedi-, (+)-

$$$$
775351
  CML DOM 08121414082D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.5541    0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5541   -0.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8611   -0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681   -0.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681    0.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8611    0.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081   -0.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0629   -0.0107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081    0.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8627   -0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2627   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4627   -0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0627    0.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2627    0.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2627   -0.0107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0627   -0.7037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8627   -1.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1601    1.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1601   -1.4187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8611    1.5892    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
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 18  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
775351

>  <Release>
October 2011

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

>  <CAS>
19171-19-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H11N3O4

>  <Molecular Weight (calculated from formula)>
273.24

>  <dtpname:Chemical Name>
Pomalidomide

>  <dtpname:Chemical Name>
A3476

>  <dtpname:Chemical Name>
4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione

$$$$
312887
  CML DOM 08121414082D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.5351   11.0871    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360   13.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   11.0871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8923    7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788    9.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   14.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379   13.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379   11.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2360   11.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522    9.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6295    8.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522    7.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355    5.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9490    4.7283    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8307    5.9418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   15.5871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114    6.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8705    8.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114   13.8006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6703   12.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2114   11.3735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1625    3.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673    3.5148    0.0000 O   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
  3  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  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
  7 20  1  0  0  0  0
  8 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
312887

>  <Release>
October 2011

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

>  <CAS>
75607-67-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H13FN5O7P

>  <Molecular Weight (nearest integer)>
365

>  <dtpname:USAN>
Fludarabine phosphate

>  <dtpname:Brand Name>
Beneflur

>  <dtpname:Brand Name>
Fludara

>  <dtpname:Chemical Name>
9H-Purin-6-amine, 2-fluoro-9-(5-O-phosphono-.beta.-D-arabinofuranosyl)-

$$$$
715055
  CML DOM 08121414082D

 31 34  0  0  0  0  0  0  0  0999 V2000
   12.4414    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    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    0.7500    0.0000 N   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
   13.7404    3.7500    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
   17.6375    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    8.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    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
    5.9462    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 N   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
    0.7500    5.2500    0.0000 O   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
    2.0490    3.0000    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    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    5.2500    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
  1  7  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
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 29  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 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 11 31  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
 14 17  1  0  0  0  0
 15 16  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
 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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
715055

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H24ClFN4O3

>  <Molecular Weight (nearest integer)>
447

>  <dtpname:USAN>
Gefitinib

>  <dtpname:Brand Name>
Iressa

>  <dtpname:Chemical Name>
ZD1839

>  <dtpname:Chemical Name>
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine

$$$$
747971
  CML DOM 08121414082D

 32 34  0  0  0  0  0  0  0  0999 V2000
   15.0394    4.5000    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    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    6.0000    0.0000 N   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
   15.0394    6.0000    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
    9.8433    4.5000    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    4.5000    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    6.7500    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    4.5000    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    4.5000    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    6.7500    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
    7.2452    6.0000    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
   13.7404    3.7500    0.0000 O   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
   18.9365    2.2500    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
    1.8481    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   21.5346    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    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  6  1  0  0  0  0
  1  2  2  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  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
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 23 24  2  0  0  0  0
 23 30  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
747971

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H16ClF3N4O3

>  <Molecular Weight (calculated from formula)>
464.83

>  <dtpname:USAN>
Sorafenib tosylate

>  <dtpname:Brand Name>
Nexavar

>  <dtpname:Chemical Name>
Sorafenib

>  <dtpname:Chemical Name>
BAY 43-9006 (free base)

>  <dtpname:Chemical Name>
BAY 54-9085 (tosylate salt)

>  <dtpname:Chemical Name>
N-(4-chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcar bamoyl)-4-pyridyloxy)phenyl)urea

>  <dtpname:Chemical Name>
4(4-{3-[4-Chloro-3-(trifluoromethyl)phenyl]ureido}phenoxy)-N(sup 2)-methylpyridine-2-carboxamide

>  <dtpname:Chemical Name>
SFN

$$$$
256439
  CML DOM 08121414082D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.5000    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
   12.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    2.0490    0.0000 O   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
    7.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    7.2452    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
   14.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1595    7.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4895    8.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000    5.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    7.2452    0.0000 O   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
    5.2500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4200    9.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3086    6.7941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5000    3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    2.0490    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
    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
    1.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.7500    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
   17.2500    2.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    7.2452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500    7.2452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5000    5.9462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0800    9.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    2.0490    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  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 16  1  0  0  0  0
 25 17  1  0  0  0  0
 26 17  2  0  0  0  0
 27 20  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  2  0  0  0  0
 30 24  1  0  0  0  0
 31 28  2  0  0  0  0
 32 28  1  0  0  0  0
 33 30  2  0  0  0  0
 34 32  2  0  0  0  0
 35 33  1  0  0  0  0
 36 34  1  0  0  0  0
 14 10  1  0  0  0  0
 20 12  1  0  0  0  0
 23 16  1  0  0  0  0
 32 30  1  0  0  0  0
 36 35  2  0  0  0  0
 27 37  1  0  0  0  0
 22 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 18 41  1  0  0  0  0
 15 42  1  0  0  0  0
M  END
>  <NSC>
256439

>  <Release>
October 2011

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

>  <CAS>
57852-57-0

>  <Structure Evaluation>
Inconsistent with Molecular Formula - no structure mapped to ClH from C26H27NO9.ClH

>  <Molecular Formula in DIS>
C26H27NO9.ClH

>  <Molecular Weight (nearest integer)>
534

>  <dtpname:Chemical Name>
4-DMD HCl

>  <dtpname:Chemical Name>
IDARUBICIN HYDROCHLORIDE

>  <dtpname:Chemical Name>
Idarubicin hydrochloride

>  <dtpname:Chemical Name>
4-Demethoxydaunorubicin hydrochloride

>  <dtpname:Chemical Name>
Daunomycin, 4-demethoxy-, hydrochloride

>  <dtpname:Chemical Name>
5,12-Naphthacenedione, 9-acetyl-7-[(3-amino-2,3,6-trideoxy- .alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro- 6,9,11-trihydroxy-, hydrochloride, (7S-cis)-

$$$$
82151
  CML DOM 08121414082D

 39 42  0  0  0  0  0  0  0  0999 V2000
  -11.1423   -7.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -1.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -9.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461   -7.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -2.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -4.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4414   -4.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -4.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -5.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -5.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -5.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -7.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -7.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -7.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481  -10.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -9.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -7.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -7.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -10.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -7.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -1.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -8.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -7.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1341   -1.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6569   -1.6386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0983   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699   -3.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8947  -11.5586    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 10  2  0  0  0  0
  3 23  1  0  0  0  0
  3 26  1  0  0  0  0
 19  4  1  6  0  0  0
  4 23  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6 15  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 35  1  0  0  0  0
  7 38  1  6  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
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 22  2  0  0  0  0
 20 31  1  0  0  0  0
 22 28  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 34  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <NSC>
82151

>  <Release>
October 2011

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

>  <CAS>
23541-50-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H29NO10.ClH

>  <Molecular Weight (nearest integer)>
564

>  <dtpname:USAN>
Daunorubicin hydrochloride

>  <dtpname:INN:BAN>
Daunorubicin

>  <dtpname:Chemical Name>
Daunomycin

>  <dtpname:Chemical Name>
Daunomycin hydrochloride

>  <dtpname:Chemical Name>
Daunoblastin

>  <dtpname:Chemical Name>
Antibiotics from Streptomyces coeruleorubidus

>  <dtpname:Chemical Name>
Rubidomycin hydrochloride

>  <dtpname:Chemical Name>
(1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenedione, hydrochloride, (8S-cis)-

>  <dtpname:Chemical Name>
L-lyxo-Hexopyranoside, 3.beta.-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1a-naththacenyl 3-amino-2,3,6-trideoxy-, .alpha.-, hydrochloride

>  <dtpname:Chemical Name>
5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, hydrochloride

>  <dtpname:Chemical Name>
Ondena

>  <dtpname:Chemical Name>
Cerubidine

>  <dtpname:Chemical Name>
NDC 0082-4155

>  <dtpname:Chemical Name>
DAUNOMYCIN

>  <dtpname:Chemical Name>
CERUBIDINE

>  <dtpname:Chemical Name>
RUBIDOMYCIN

>  <dtpname:Chemical Name>
RUBOMYCIN C

>  <dtpname:Chemical Name>
DAUNORUBICIN HCL

>  <dtpname:Chemical Name>
RP 13057 hydrochloride

>  <dtpname:Chemical Name>
DAUNORUBICIN HYDROCHLORIDE

>  <dtpname:Chemical Name>
DAUNORUBICIN HYDROCHLORIDE

>  <dtpname:Chemical Name>
Daunomycin

>  <dtpname:9th C.I.>
5,12-Naphthacenedione, 8-acetyl-10-[(3-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:8th C.I.>
Daunomycin, hydrochloride

$$$$
755
  CML DOM 08121414082D

 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-

$$$$
45923
  CML DOM 08121414082D

 16 18  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
   -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
   -8.6718   -1.0365    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
   -9.5535   -2.2500    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
   -8.6718   -3.4635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.7500    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
   -4.6471   -6.0000    0.0000 C   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  4  1  0  0  0  0
  3  7  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 10  2  0  0  0  0
  7 15  2  0  0  0  0
  7 14  1  0  0  0  0
  8 14  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
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <NSC>
45923

>  <Release>
October 2011

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

>  <CAS>
298-81-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H8O4

>  <Molecular Weight (nearest integer)>
216

>  <dtpname:USAN>
Methoxsalen

>  <dtpname:Brand Name>
8-MOP

>  <dtpname:Brand Name>
Methoxa-Dome

>  <dtpname:Chemical Name>
8-Methoxypsoralen

>  <dtpname:Chemical Name>
Oxsoralen

>  <dtpname:Chemical Name>
8-Methoxy-2',3',6,7-furocoumarin

>  <dtpname:Chemical Name>
8-Methoxypsoralene

>  <dtpname:Chemical Name>
Puvalen

>  <dtpname:Chemical Name>
Ammodin

>  <dtpname:Chemical Name>
Oxoralen

>  <dtpname:Chemical Name>
Ammoidin

>  <dtpname:Chemical Name>
Meloxine

>  <dtpname:Chemical Name>
Meladoxen

>  <dtpname:Chemical Name>
Meladinine

>  <dtpname:Chemical Name>
Methoxalen

>  <dtpname:Chemical Name>
Xanthotoxin

>  <dtpname:Chemical Name>
Oxypsoralen

>  <dtpname:Chemical Name>
Xanthotoxine

>  <dtpname:Chemical Name>
8-Methoxy-4',5',6,7-furocoumarin

>  <dtpname:Chemical Name>
New-Meladinin

>  <dtpname:Chemical Name>
8-Methoxy(furano-3'.2':6.7-coumarin)

>  <dtpname:Chemical Name>
8-Methoxy-[furano-3'.2':6.7-coumarin]

>  <dtpname:Chemical Name>
5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone

>  <dtpname:Chemical Name>
8-MP

>  <dtpname:Chemical Name>
NCI-C55903

>  <dtpname:Chemical Name>
WLN: T C566 DO LVOJ BO1

>  <dtpname:Chemical Name>
XANTHOTOXIN

>  <dtpname:9th C.I.>
7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-

>  <dtpname:8th C.I.>
7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-

>  <dtpname:VAN>
Meladinin

$$$$
66847
  CML DOM 08121414082D

 19 21  0  0  0  0  0  0  0  0999 V2000
  -11.6563   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6563   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0583   -2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3573   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -4.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -3.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6317   -2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1681   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1681   -6.0302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -5.9882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -4.6892    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
  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
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
66847

>  <Release>
October 2011

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

>  <CAS>
50-35-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10N2O4

>  <Molecular Weight (nearest integer)>
258

>  <dtpname:USAN>
Thalidomide

>  <dtpname:Brand Name>
Kevadon

>  <dtpname:Brand Name>
Thalomid

>  <dtpname:Chemical Name>
N-Phthaloylglutamimide

>  <dtpname:Chemical Name>
N-Phthalylglutamic acid imide

>  <dtpname:Chemical Name>
Neo

>  <dtpname:Chemical Name>
K-17

>  <dtpname:Chemical Name>
E-217

>  <dtpname:Chemical Name>
Sedin

>  <dtpname:Chemical Name>
Nibrol

>  <dtpname:Chemical Name>
Glupan

>  <dtpname:Chemical Name>
Isomin

>  <dtpname:Chemical Name>
Valgis

>  <dtpname:Chemical Name>
Thalin

>  <dtpname:Chemical Name>
Pangul

>  <dtpname:Chemical Name>
Slipro

>  <dtpname:Chemical Name>
Asmaval

>  <dtpname:Chemical Name>
Sleepan

>  <dtpname:Chemical Name>
Lulamin

>  <dtpname:Chemical Name>
Calmore

>  <dtpname:Chemical Name>
Telagan

>  <dtpname:Chemical Name>
Grippex

>  <dtpname:Chemical Name>
Noxodyn

>  <dtpname:Chemical Name>
Talimol

>  <dtpname:Chemical Name>
Kedavon

>  <dtpname:Chemical Name>
Imidene

>  <dtpname:Chemical Name>
Sedoval

>  <dtpname:Chemical Name>
Yodomin

>  <dtpname:Chemical Name>
Neufatin

>  <dtpname:Chemical Name>
Asidon 3

>  <dtpname:Chemical Name>
Asmadion

>  <dtpname:Chemical Name>
Bonbrain

>  <dtpname:Chemical Name>
Bonbrrin

>  <dtpname:Chemical Name>
Calmorex

>  <dtpname:Chemical Name>
Distaval

>  <dtpname:Chemical Name>
Distaxal

>  <dtpname:Chemical Name>
Distoval

>  <dtpname:Chemical Name>
Glutanon

>  <dtpname:Chemical Name>
Hippuzon

>  <dtpname:Chemical Name>
Neosedyn

>  <dtpname:Chemical Name>
Neosydyn

>  <dtpname:Chemical Name>
Neurodyn

>  <dtpname:Chemical Name>
Nevrodyn

>  <dtpname:Chemical Name>
Quetimid

>  <dtpname:Chemical Name>
Sedimide

>  <dtpname:Chemical Name>
Softenil

>  <dtpname:Chemical Name>
Softenon

>  <dtpname:Chemical Name>
Talargan

>  <dtpname:Chemical Name>
Talismol

>  <dtpname:Chemical Name>
Tensival

>  <dtpname:Chemical Name>
Ulcerfen

>  <dtpname:Chemical Name>
Valgraine

>  <dtpname:Chemical Name>
Algosediv

>  <dtpname:Chemical Name>
Pro-ban M

>  <dtpname:Chemical Name>
Profarmil

>  <dtpname:Chemical Name>
Contergan

>  <dtpname:Chemical Name>
Sandormin

>  <dtpname:Chemical Name>
Ectiluran

>  <dtpname:Chemical Name>
Imida-Lab

>  <dtpname:Chemical Name>
Telargean

>  <dtpname:Chemical Name>
Nerosedyn

>  <dtpname:Chemical Name>
Polygripan

>  <dtpname:Chemical Name>
Neurosedin

>  <dtpname:Chemical Name>
Neurosedym

>  <dtpname:Chemical Name>
Noctosediv

>  <dtpname:Chemical Name>
Pantosediv

>  <dtpname:Chemical Name>
Poly-Giron

>  <dtpname:Chemical Name>
Quietoplex

>  <dtpname:Chemical Name>
Thalinette

>  <dtpname:Chemical Name>
Sedisperil

>  <dtpname:Chemical Name>
Shinnibrol

>  <dtpname:Chemical Name>
Gastrinide

>  <dtpname:Chemical Name>
Enterosediv

>  <dtpname:Chemical Name>
Thalidomide

>  <dtpname:Chemical Name>
Shin-naito S

>  <dtpname:Chemical Name>
Psycholiquid

>  <dtpname:Chemical Name>
Predni-Sediv

>  <dtpname:Chemical Name>
Psychotablets

>  <dtpname:Chemical Name>
Imidan (peyta)

>  <dtpname:Chemical Name>
Corronarobetin

>  <dtpname:Chemical Name>
Theophilcholine

>  <dtpname:Chemical Name>
Sedalis sedi-lab

>  <dtpname:Chemical Name>
3-Phthalimidoglutarimide

>  <dtpname:Chemical Name>
Thalidomide (soluble form)

>  <dtpname:Chemical Name>
Glutarimide, 2-phthalimido-

>  <dtpname:Chemical Name>
.alpha.-N-Phthalylglutaramide

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

>  <dtpname:Chemical Name>
2,6-Dioxo-3-phthalimidopiperidine

>  <dtpname:Chemical Name>
.alpha.-(N-Phthalimido)glutarimide

>  <dtpname:Chemical Name>
N-(2,6-Dioxo-3-piperidyl)phthalimide

>  <dtpname:Chemical Name>
WLN: T56 BVNVJ C- DT6VMVTJ

>  <dtpname:9th C.I.>
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-

>  <dtpname:8th C.I.>
Phthalimide, N-(2,6-dioxo-3-piperidyl)-

>  <dtpname:VAN>
K 17

>  <dtpname:German Name>
N-Phthalyl-glutaminsaeure-imid

$$$$
218321
  CML DOM 08121414082D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.0082   -4.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8892   -2.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180   -1.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4467   -2.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6135   -3.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8303   -3.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7928   -5.9562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327   -5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251   -0.0812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3324    0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2734    1.9369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4983    0.9706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5289    2.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273    4.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3741    3.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297    2.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0036    1.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837    5.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193    3.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8688    3.8993    0.0000 O   0  0  0  0  0  0  0  0  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  6  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
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 19  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
 15 18  1  6  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <NSC>
218321

>  <Release>
October 2011

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

>  <CAS>
53910-25-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H16N4O4

>  <Molecular Weight (nearest integer)>
268

>  <dtpname:USAN>
Pentostatin

>  <dtpname:Brand Name>
Nipent

>  <dtpname:Chemical Name>
2'-Deoxycoformycin

>  <dtpname:Chemical Name>
2'-DCF

>  <dtpname:Chemical Name>
CI-825

>  <dtpname:Chemical Name>
Covidarabine

>  <dtpname:Chemical Name>
Co-Vidarabine

>  <dtpname:Chemical Name>
Deaminase inhibitor

>  <dtpname:Chemical Name>
Vira A deaminase inhibitor

>  <dtpname:Chemical Name>
Co-V

>  <dtpname:Chemical Name>
PD-ADI

>  <dtpname:Chemical Name>
CL 67310465

>  <dtpname:9th C.I.>
Imidazo[4,5-d][1,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8- tetrahydro-, (R)-

$$$$
3088
  CML DOM 08121414082D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.5221   -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
   -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
   -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 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
    0.3750   -6.6495    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
    2.9731   -6.6495    0.0000 Cl  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
    0.3750   -2.1495    0.0000 Cl  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
   -8.7182   -8.8995    0.0000 C   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
  -11.3163   -8.8996    0.0000 O   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
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  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  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
 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
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <NSC>
3088

>  <Release>
October 2011

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

>  <CAS>
305-03-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H19Cl2NO2

>  <Molecular Weight (nearest integer)>
304

>  <dtpname:USAN>
Chlorambucil

>  <dtpname:Brand Name>
Leukeran

>  <dtpname:Brand Name>
Ambochlorin

>  <dtpname:Chemical Name>
Phenylbutyric acid nitrogen mustard

>  <dtpname:Chemical Name>
4-[Bis(2-chloroethyl)amino]phenylbutyric acid

>  <dtpname:Chemical Name>
p-(N,N-Di-2-chloroethyl)aminophenyl butyric acid

>  <dtpname:Chemical Name>
CB 1348

>  <dtpname:Chemical Name>
Elcoril

>  <dtpname:Chemical Name>
Ecloril

>  <dtpname:Chemical Name>
Cb l348

>  <dtpname:Chemical Name>
NSC 3088

>  <dtpname:Chemical Name>
Leukoran

>  <dtpname:Chemical Name>
Leukersan

>  <dtpname:Chemical Name>
NCI-C03485

>  <dtpname:Chemical Name>
Amboclorin

>  <dtpname:Chemical Name>
Chlorbutin

>  <dtpname:Chemical Name>
Linfolizin

>  <dtpname:Chemical Name>
Linfolysin

>  <dtpname:Chemical Name>
Chlorbutine

>  <dtpname:Chemical Name>
Chlorobutin

>  <dtpname:Chemical Name>
CHLORAMBUCIL

>  <dtpname:Chemical Name>
Chlorobutine

>  <dtpname:Chemical Name>
Chloroambucil

>  <dtpname:Chemical Name>
Chloraminophen

>  <dtpname:Chemical Name>
Chloraminophene

>  <dtpname:Chemical Name>
4-[Bis(2-chloroethyl)amino]benzenebutanoic acid

>  <dtpname:Chemical Name>
4-[p-[Bis(2-chloroethyl)amino]phenyl]butyric acid

>  <dtpname:Chemical Name>
Butyric acid, 4-(p-bis(2-chloroethyl)aminophenyl)-

>  <dtpname:Chemical Name>
4[p-Bis(.beta.-chloroethyl)aminophenyl]butyric acid

>  <dtpname:Chemical Name>
.gamma.-[p-Di(2-chloroethyl)aminophenyl]butyric acid

>  <dtpname:Chemical Name>
4-[p-Bis(.beta.-chloroethyl)aminophenyl]butyric acid

>  <dtpname:Chemical Name>
Butyric acid, 4-(p-[bis(2-chloroethyl)amino]phenyl)-

>  <dtpname:Chemical Name>
p-N,N-Di-(.beta.-chloroethyl)aminophenyl butyric acid

>  <dtpname:Chemical Name>
.gamma.-(p-bis(2-chloroethyl)aminophenyl)butyric acid

>  <dtpname:Chemical Name>
.gamma.-[p-bis(2-chloroethyl)aminophenyl]butyric acid

>  <dtpname:Chemical Name>
N,N-Di-2-chloroethyl-.gamma.-p-aminophenylbutyric acid

>  <dtpname:Chemical Name>
WLN: QV3R DN2G2G

>  <dtpname:9th C.I.>
Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-

>  <dtpname:8th C.I.>
Butyric acid, 4-[p-[bis(2-chloroethyl)amino]phenyl]-

$$$$
681239
  CML DOM 08121414082D

 28 29  0  0  0  0  0  0  0  0999 V2000
    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
    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  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 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
    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 N   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
    7.2452    6.7500    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
    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
    9.8433    9.7500    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
    8.5442    3.0000    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
    9.8433    5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    5.2500    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    4.5000    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
   12.4414    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
   12.4414    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
  1 10  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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  1  0  0  0
 11 19  2  0  0  0  0
 11 21  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
 17 18  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 25  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  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>
681239

>  <Release>
October 2011

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

>  <CAS>
179324-69-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H25BN4O4

>  <Molecular Weight (nearest integer)>
384

>  <dtpname:USAN>
Bortezomib

>  <dtpname:Brand Name>
Velcade

>  <dtpname:Chemical Name>
PS-341

>  <dtpname:Chemical Name>
Boronic acid, [1-[[1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl) amino]propyl]amino]-3-methylbutyl]-, L-(S)-

>  <dtpname:Chemical Name>
LDP341

>  <dtpname:Chemical Name>
MLN341

>  <dtpname:Chemical Name>
PROSCRIPT Boronic acid

$$$$
755986
  CML DOM 08121414082D

 27 29  0  0  0  0  0  0  0  0999 V2000
  -16.3385   -3.7500    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
  -15.0394   -6.0000    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
  -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 N   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
  -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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
755986

>  <Release>
October 2011

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

>  <CAS>
879085-55-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14Cl2N2O3S

>  <Molecular Weight (calculated from formula)>
421.30

>  <dtpname:USAN>
Vismodegib

>  <dtpname:Chemical Name>
Vismodegib, free base

>  <dtpname:Chemical Name>
GDC-0449

>  <dtpname:Chemical Name>
V-4050

>  <dtpname:Chemical Name>
2-Chloro-N-(4-chloro-3-(2-pyridl)phenyl)-4-(methylsulfonyl)benzamide

$$$$
747974
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M  END
>  <NSC>
747974

>  <Release>
October 2011

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

>  <CAS>
84449-90-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H27NO4S

>  <Molecular Weight (calculated from formula)>
473.58

>  <dtpname:USAN>
Raloxifene hydrochloride

>  <dtpname:Brand Name>
Evista

>  <dtpname:Chemical Name>
Raloxifene

>  <dtpname:Chemical Name>
LY 139481

>  <dtpname:Chemical Name>
Keoxifene

>  <dtpname:Chemical Name>
[2-(4-Hydroxyphenyl)-6-hydroxybenzo[b]thien-3-yl][4-(2-(1-piperidinyl)ethoxy)phenyl]methanone

>  <dtpname:Chemical Name>
Methanone, [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-

$$$$
747599
  CML DOM 08121414082D

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M  END
>  <NSC>
747599

>  <Release>
October 2011

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

>  <CAS>
641571-10-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H22F3N7O

>  <Molecular Weight (calculated from formula)>
529.52

>  <dtpname:USAN>
Nilotinib

>  <dtpname:Brand Name>
Tasigna

>  <dtpname:Chemical Name>
AMN107

>  <dtpname:Chemical Name>
Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-

$$$$
123127
  CML DOM 08121414082D

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  9  5  1  0  0  0  0
  5 39  2  0  0  0  0
  5  6  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 37  1  6  0  0  0
 11 18  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 24  2  0  0  0  0
 22 33  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 28 35  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
123127

>  <Release>
October 2011

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

>  <CAS>
25316-40-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H29NO11.ClH

>  <Molecular Weight (nearest integer)>
580

>  <dtpname:USAN>
Doxorubicin hydrochloride

>  <dtpname:Brand Name>
Adriamycin

>  <dtpname:Brand Name>
Rubex

>  <dtpname:Chemical Name>
Doxorubicin

>  <dtpname:Chemical Name>
ADM hydrochloride

>  <dtpname:Chemical Name>
Adriamycin hydrochloride

>  <dtpname:Chemical Name>
ADR

>  <dtpname:Chemical Name>
DOX HCl

>  <dtpname:Chemical Name>
Adriacin

>  <dtpname:Chemical Name>
Adriblastin

>  <dtpname:Chemical Name>
Adriblastina

>  <dtpname:Chemical Name>
FI 106

>  <dtpname:Chemical Name>
FI 6804

>  <dtpname:Chemical Name>
Hydroxydaunorubicin hydrochloride

>  <dtpname:Chemical Name>
L-lyxo-Hexopyranoside, 3b-glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1a-naphthacenyl 3-amino-2,3,6-trideoxy-, .alpha.-, hydrochloride

>  <dtpname:Chemical Name>
ADRIAMYCIN HCL

>  <dtpname:Chemical Name>
ADRIAMYCIN HYDROCHLORIDE

>  <dtpname:Chemical Name>
ADRIAMYCIN, HYDROCHLORIDE

>  <dtpname:9th C.I.>
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-

>  <dtpname:8th C.I.>
Adriamycin, hydrochloride

$$$$
762
  CML DOM 08121414082D

  9  7  0  0  0  0  0  0  0  0999 V2000
   -8.5442   -3.0000    0.0000 Cl  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
   -5.9461   -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
   -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
   -4.6471   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -4.5000    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
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <NSC>
762

>  <Release>
October 2011

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

>  <CAS>
55-86-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H11Cl2N.ClH

>  <Molecular Weight (nearest integer)>
193

>  <dtpname:USAN>
Mechlorethamine hydrochloride

>  <dtpname:Brand Name>
Mustargen hydrochloride

>  <dtpname:Chemical Name>
HN2

>  <dtpname:Chemical Name>
Nitrogen mustard hydrochloride

>  <dtpname:Chemical Name>
Dichloromethyldiethylamine hydrochloride

>  <dtpname:Chemical Name>
Bis(2-chloroethyl)methylamine hydrochloride

>  <dtpname:Chemical Name>
HN2 hydrochloride

>  <dtpname:Chemical Name>
Methyldi(2-chloroethyl)amine hydrochloride

>  <dtpname:Chemical Name>
Di(2-chloroethyl)methylamine hydrochloride

>  <dtpname:Chemical Name>
Methylbis(2-chloroethyl)amine hydrochloride

>  <dtpname:Chemical Name>
BIS(2-CHLOROETHYL)METHYLAMINE HYDROCHLORIDE

>  <dtpname:Chemical Name>
N-Methylbis(2-chloroethyl)amine hydrochloride

>  <dtpname:Chemical Name>
Methyldi(.beta.-chloroethyl)amine hydrochloride

>  <dtpname:Chemical Name>
1,5-Dichloro-3-methyl-3-azapentane hydrochloride

>  <dtpname:Chemical Name>
Methylbis(.beta.-chloroethyl)amine hydrochloride

>  <dtpname:Chemical Name>
2,2'-Dichloro-N-methyldiethylamine hydrochloride

>  <dtpname:Chemical Name>
N-Methyl-2,2'-dichlorodiethylamine hydrochloride

>  <dtpname:Chemical Name>
2,2'-Dichloro-N-methyldiethylamino hydrochloride

>  <dtpname:Chemical Name>
Azotoyperite

>  <dtpname:Chemical Name>
N-Methylbis(.beta.-chlorethyl)amine hydrochloride

>  <dtpname:Chemical Name>
Mitoxine

>  <dtpname:Chemical Name>
Methyl bis(.beta.-chloroethyl)amine, hydrochloride

>  <dtpname:Chemical Name>
Carolysine

>  <dtpname:Chemical Name>
Diethylamine, 2,2'-dichloro-N-methyl, hydrochloride

>  <dtpname:Chemical Name>
Caryolysine

>  <dtpname:Chemical Name>
MBA hydrochloride

>  <dtpname:Chemical Name>
.beta.,.beta.'-Dichlorodiethyl-N-methylamine hydrochloride

>  <dtpname:Chemical Name>
2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochlroide

>  <dtpname:Chemical Name>
Dema

>  <dtpname:Chemical Name>
Nitol

>  <dtpname:Chemical Name>
SK 101

>  <dtpname:Chemical Name>
N-Lost

>  <dtpname:Chemical Name>
C 6866

>  <dtpname:Chemical Name>
Erasol

>  <dtpname:Chemical Name>
Dimitan

>  <dtpname:Chemical Name>
Embichin

>  <dtpname:Chemical Name>
Erasol hydrochloride

>  <dtpname:Chemical Name>
Mustine hydrochloride

>  <dtpname:Chemical Name>
NSC-762 hydrochloride

>  <dtpname:Chemical Name>
Embichin hydrochloride

>  <dtpname:Chemical Name>
Chloramin hydrochloride

>  <dtpname:Chemical Name>
Dichloren hydrochloride

>  <dtpname:Chemical Name>
Caryolysine hydrochloride

>  <dtpname:Chemical Name>
Chlormethine hydrochloride

>  <dtpname:Chemical Name>
Mechorethamine hydrochloride

>  <dtpname:Chemical Name>
Nitrogranulogen hydrochloride

>  <dtpname:Chemical Name>
Embikhine

>  <dtpname:Chemical Name>
Dichloren

>  <dtpname:Chemical Name>
Embechine

>  <dtpname:Chemical Name>
Erasol-Ido

>  <dtpname:Chemical Name>
NCI-C56382

>  <dtpname:Chemical Name>
Nitol takeda

>  <dtpname:Chemical Name>
Chlorethazine

>  <dtpname:Chemical Name>
Chlormethinum

>  <dtpname:Chemical Name>
NM

>  <dtpname:Chemical Name>
Chlorethamine

>  <dtpname:Chemical Name>
Mebichloramine

>  <dtpname:Chemical Name>
Stickstofflost

>  <dtpname:Chemical Name>
Nitol "takeda"

>  <dtpname:Chemical Name>
Nitrogranulogen

>  <dtpname:Chemical Name>
Mustine hydrochlor

>  <dtpname:Chemical Name>
Nitrogen Mustard hydrochloride

>  <dtpname:Chemical Name>
WLN: G2N1&2G &GH

>  <dtpname:9th C.I.>
Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-, hydrochloride

>  <dtpname:8th C.I.>
Diethylamine, 2,2'-dichloro-N-methyl-, hydrochloride

>  <dtpname:VAN>
Kloramin

>  <dtpname:VAN>
Chloramin

>  <dtpname:VAN>
Chloramine

$$$$
79037
  CML DOM 08121414082D

 15 15  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
  -11.1423   -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
   -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
   -9.8433   -6.0000    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
   -5.9461   -5.2500    0.0000 O   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
   -3.3481   -3.7500    0.0000 C   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
   -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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -1.5000    0.0000 N   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
  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 11  1  0  0  0  0
  4  6  1  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
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
79037

>  <Release>
October 2011

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

>  <CAS>
13010-47-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H16ClN3O2

>  <Molecular Weight (nearest integer)>
234

>  <dtpname:USAN>
Lomustine

>  <dtpname:Brand Name>
CeeNU

>  <dtpname:Chemical Name>
CCNU

>  <dtpname:Chemical Name>
N-(2-Chloroethyl)-N'-cyclohexyl-N-nitrosourea

>  <dtpname:Chemical Name>
Belustine

>  <dtpname:Chemical Name>
1-(2-Chloroethyl)-3-cyclohexylnitrosourea

>  <dtpname:Chemical Name>
1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea

>  <dtpname:Chemical Name>
1-Nitrosourea, 1-(2-chloroethyl)-3-cyclohexyl-

>  <dtpname:Chemical Name>
Urea, 1-(2-chloroethyl)-3-cyclohexyl)-1-nitroso-

>  <dtpname:Chemical Name>
SRI 2200

>  <dtpname:Chemical Name>
ICIG 1109

>  <dtpname:Chemical Name>
Chloroethylcyclohexylnitrosourea

>  <dtpname:Chemical Name>
CiNu

>  <dtpname:Chemical Name>
CCNU

>  <dtpname:Chemical Name>
Cecenu

>  <dtpname:Chemical Name>
LOMUSTINE

>  <dtpname:Chemical Name>
NSC 79037

>  <dtpname:Chemical Name>
NCI-C04740

>  <dtpname:Chemical Name>
WLN: L6TJ AMVNNO&2G

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

>  <dtpname:8th C.I.>
Urea, 1-(2-chloroethyl)-3-cyclohexyl-1-nitroso-

$$$$
77213
  CML DOM 08121414082D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -6.0000   -2.0490    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
   -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
   -8.2500   -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
  -12.0000   -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
  -10.5000   -4.6471    0.0000 O   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
  -12.7500   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7500   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -4.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000   -2.0491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -6.1471    0.0000 Cl  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
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
77213

>  <Release>
October 2011

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

>  <CAS>
366-70-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H19N3O.ClH

>  <Molecular Weight (nearest integer)>
258

>  <dtpname:USAN>
Procarbazine hydrochloride

>  <dtpname:INN:BAN>
Procarbazine

>  <dtpname:Brand Name>
Matulane

>  <dtpname:Chemical Name>
PCB hydrochloride

>  <dtpname:Chemical Name>
Ibenzmethyzine hydrochloride

>  <dtpname:Chemical Name>
p-(N'-methylhydrazinomethyl)-N-isopropylbenzamide hydrochloride

>  <dtpname:Chemical Name>
MBH

>  <dtpname:Chemical Name>
Natulan

>  <dtpname:Chemical Name>
Nathulane

>  <dtpname:Chemical Name>
Natunalar

>  <dtpname:Chemical Name>
MIH hydrochloride

>  <dtpname:Chemical Name>
NCI-C01810

>  <dtpname:Chemical Name>
Ro 4 6467/1

>  <dtpname:Chemical Name>
WLN: 1Y1&MVR D1MM1 &GH

>  <dtpname:9th C.I.>
Benzamide, N-(1-methylethyl)-4-[(2-methylhydrazino) methyl]-, monohydrochloride

>  <dtpname:8th C.I.>
p-Toluamide, N-isopropyl-.alpha.-(2-methylhydrazino)-, monohydrochloride

>  <dtpname:German Name>
Procarbazin

$$$$
686673
  CML DOM 08121414082D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.6265   -8.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -9.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348   -9.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348   -7.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1483  -10.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -7.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1265   -8.6902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -6.0501    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9263   -4.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -3.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819   -4.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819   -5.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810   -3.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9800   -4.0865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9800   -5.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810   -6.3365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810   -1.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819   -1.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9915  -11.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447  -11.3303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2790   -6.3365    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
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  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
 12 16  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
 15 21  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
686673

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C11H15N5O5

>  <Molecular Weight (nearest integer)>
297

>  <dtpname:USAN>
Nelarabine

>  <dtpname:Brand Name>
Arranon

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

>  <dtpname:Chemical Name>
GW 506U78

>  <dtpname:Chemical Name>
506U78

$$$$
26980
  CML DOM 08121414082D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.0214   10.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214    8.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205    7.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195    8.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195   10.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   10.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0461    8.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    9.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0461   10.7117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    9.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544   11.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278   11.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   12.4981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205    6.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5096    6.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5059    5.7433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4367    4.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657    3.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6534   10.7117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3825    7.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8743    7.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9645   12.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9645    8.5914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776   10.9982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776    7.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  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 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  1  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 24  1  1  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 23  1  1  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
 21 22  1  0  0  0  0
M  END
>  <NSC>
26980

>  <Release>
October 2011

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

>  <CAS>
50-07-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H18N4O5

>  <Molecular Weight (nearest integer)>
334

>  <dtpname:USAN>
Mitomycin

>  <dtpname:INN:BAN>
Mitomycin C

>  <dtpname:Brand Name>
Mutamycin

>  <dtpname:Chemical Name>
7-Amino-9.alpha.-methoxymitosane

>  <dtpname:Chemical Name>
Ametycine

>  <dtpname:Chemical Name>
Mitomycinum

>  <dtpname:Chemical Name>
MMC

>  <dtpname:Chemical Name>
Mit-C

>  <dtpname:Chemical Name>
Mito-C

>  <dtpname:Chemical Name>
Ametycin

>  <dtpname:Chemical Name>
Mitocin-C

>  <dtpname:Chemical Name>
Mytomycin

>  <dtpname:Chemical Name>
NCI-C04706

>  <dtpname:Chemical Name>
MITOMYCIN

>  <dtpname:Chemical Name>
WLN: T D3 B556 BN EM JV MVTTT&J GO1 H1OVZ KZ L1

>  <dtpname:9th C.I.>
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-5-methyl-, [1aR-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-

>  <dtpname:8th C.I.>
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-5-methyl-, carbamate (ester)

>  <dtpname:VAN>
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a- methoxy-5-methyl-, carbamate (ester)

$$$$
712807
  CML DOM 08121414082D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -3.6226   -7.7745    0.0000 N   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
   -2.3235  -10.0245    0.0000 N   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
   -1.0245   -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
   -3.5371  -12.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735  -13.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735  -13.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1100  -12.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9216  -10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552  -15.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -7.0245    0.0000 F   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 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8726   -5.5245    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
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
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  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6 23  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 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 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
M  END
>  <NSC>
712807

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H22FN3O6

>  <Molecular Weight (nearest integer)>
359

>  <dtpname:USAN>
Capecitabine

>  <dtpname:Brand Name>
Xeloda

>  <dtpname:Chemical Name>
CAPE

>  <dtpname:Chemical Name>
Ro 09-1978/000

$$$$
756645
  CML DOM 08121414082D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.2062   12.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   12.2434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562   10.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2062    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9562   10.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562   10.9444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2062    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562    8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7062    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4562    8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9562    8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7062    9.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9562   10.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4562   10.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7062   12.2434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7063    7.0473    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.2062    9.6454    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562    8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4645    8.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1526    6.7223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4516    5.9723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5663    6.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7823    6.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4313    6.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8016    6.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449    4.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6255    4.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584    4.8920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9562   13.5425    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 30  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 19  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  1  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
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  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
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <NSC>
756645

>  <Release>
October 2011

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

>  <CAS>
877399-52-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22Cl2FN5O

>  <Molecular Weight (calculated from formula)>
450.34

>  <dtpname:Chemical Name>
PF-2341066

>  <dtpname:Chemical Name>
Crizotinib

>  <dtpname:Chemical Name>
Xalkori

>  <dtpname:Chemical Name>
S1068

$$$$
750691
  CML DOM 08121414082D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.8096    3.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8096    2.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1086    1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4077    2.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4077    3.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1086    4.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105    4.5805    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106    1.5805    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7067    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4077   -0.6695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4077   -2.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7067   -2.9195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0058   -2.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0058   -0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3048   -2.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038   -2.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038   -0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3048    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9029   -2.9195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2019   -0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5009    0.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2019   -2.1695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  9 14  1  0  0  0  0
  9 30  1  0  0  0  0
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 15 16  2  0  0  0  0
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 25 19  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
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 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 32  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  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
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <NSC>
750691

>  <Release>
October 2011

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

>  <CAS>
439081-18-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H25ClFN5O3

>  <Molecular Weight (calculated from formula)>
485.94

>  <dtpname:Chemical Name>
BIBW2992

>  <dtpname:Chemical Name>
Afatinib

>  <dtpname:Chemical Name>
Tovok

>  <dtpname:Chemical Name>
S1011

$$$$
747973
  CML DOM 08121414082D

 35 37  0  0  0  0  0  0  0  0999 V2000
    5.6410   -1.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227   -2.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9493   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9493   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2483   -2.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5473   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2483    0.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8464   -2.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1454   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1454   -0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8464    0.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5720   -2.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5720   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2483    1.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9492    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9492    3.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1628    4.6541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6992    6.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1992    6.0807    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7357    4.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8464    1.5224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0355   -4.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4537   -1.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -0.1072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3420   -2.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5473    2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5809    7.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5473   -0.7276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0355    1.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5684   -0.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5684   -2.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9886   -0.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8464   -4.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5473   -3.7275    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
  1 25  1  1  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5 25  1  1  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  7 35  1  6  0  0  0
  8 15  1  1  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  1  0  0  0
 10 13  1  0  0  0  0
 10 33  1  1  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 22  2  0  0  0  0
 12 29  1  0  0  0  0
 13 23  2  0  0  0  0
 13 24  1  0  0  0  0
 14 24  1  0  0  0  0
 14 30  1  6  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 24 31  1  0  0  0  0
 24 32  1  0  0  0  0
M  END
>  <NSC>
747973

>  <Release>
October 2011

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

>  <CAS>
219989-84-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H42N2O5S

>  <Molecular Weight (calculated from formula)>
506.70

>  <dtpname:USAN>
Ixabepilone

>  <dtpname:Brand Name>
Ixempra

>  <dtpname:Chemical Name>
Azaepothilone B

>  <dtpname:Chemical Name>
BMS-247550

>  <dtpname:Chemical Name>
7-Oxa-4-azabicyclo[14.1.0]heptadecane -5,9-dione, 7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-, (1S,3S,7S,10R,11S,12S,16R)-

$$$$
141540
  CML DOM 08121414082D

 46 52  0  0  0  0  0  0  0  0999 V2000
   -9.9708    7.8237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9708   10.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5592    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3450    3.1981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0624    3.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6113    6.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    9.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829    6.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1913   11.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1913    6.7954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4580   11.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0398    9.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   15.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   14.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   14.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   12.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   12.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   12.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   10.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    9.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    9.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215   10.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   10.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    9.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    8.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461    8.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442    8.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471    7.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452    7.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8525    9.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215    7.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950    1.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5494    2.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0722    2.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1080    3.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6210    4.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0983    4.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007    1.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   15.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   14.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0364    1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5852    3.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6569    5.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   16.5372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   15.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   14.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  1 30  1  0  0  0  0
  2 24  1  0  0  0  0
  2 30  1  0  0  0  0
  3 32  1  0  0  0  0
  3 41  1  0  0  0  0
  4 32  1  0  0  0  0
  4 34  1  0  0  0  0
  5 33  1  0  0  0  0
  5 37  1  0  0  0  0
 28  6  1  0  0  0  0
  6 37  1  0  0  0  0
 19  7  1  6  0  0  0
 28  8  1  1  0  0  0
 21  9  1  6  0  0  0
 25 10  1  1  0  0  0
 11 22  2  0  0  0  0
 12 22  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  2  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 26  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 23 24  2  0  0  0  0
 24 27  1  0  0  0  0
 25 31  1  0  0  0  0
 25 28  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 29  2  0  0  0  0
 32 38  1  0  0  0  0
 33 34  1  0  0  0  0
 33 41  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 42  1  0  0  0  0
 36 37  1  0  0  0  0
 36 43  1  0  0  0  0
 39 40  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <NSC>
141540

>  <Release>
October 2011

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

>  <CAS>
33419-42-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H32O13

>  <Molecular Weight (nearest integer)>
589

>  <dtpname:USAN>
Etoposide

>  <dtpname:Brand Name>
Toposar

>  <dtpname:Brand Name>
VePesid

>  <dtpname:Chemical Name>
VP-16

>  <dtpname:Chemical Name>
Epipodophyllotoxin VP-16213

>  <dtpname:Chemical Name>
DEMETHY-EPIPODOPHYLLOTOXIN,ETHYLIDENE GLUCOSIDE,

>  <dtpname:Chemical Name>
4-Demethylepipodophyllotoxin-.beta.-D-ethylideneglucoside

>  <dtpname:Chemical Name>
4'-Demethylepipodophyllotoxin ethylidene-.beta.-D-glucoside

>  <dtpname:Chemical Name>
Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-ethylidene-.beta.-D-glucopyranoside)

>  <dtpname:Chemical Name>
EPE

>  <dtpname:Chemical Name>
Vepesid

>  <dtpname:Chemical Name>
Vepesid J

>  <dtpname:Chemical Name>
VP 16-213

>  <dtpname:Chemical Name>
ETOPOSIDE

>  <dtpname:Chemical Name>
NSC141540

>  <dtpname:Chemical Name>
NSC 141540

>  <dtpname:9th C.I.>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[(4,6-O-ethylidene-.beta.-D-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(R*)]]-

>  <dtpname:8th C.I.>
Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-.beta.-D-glucopyranoside

$$$$
6396
  CML DOM 08121414082D

 11 13  0  0  0  0  0  0  0  0999 V2000
   -5.4265   -2.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1275   -2.7990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775   -1.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8775   -4.0981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8285   -3.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -3.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1765   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9265   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8775   -5.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1765   -4.8481    0.0000 C   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
  1  9  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
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  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
M  END
>  <NSC>
6396

>  <Release>
October 2011

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

>  <CAS>
52-24-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C6H12N3PS

>  <Molecular Weight (nearest integer)>
189

>  <dtpname:USAN>
Thiotepa

>  <dtpname:Brand Name>
Thioplex

>  <dtpname:Chemical Name>
Triethylene thiophosphoramide

>  <dtpname:Chemical Name>
Thiophosphamide

>  <dtpname:Chemical Name>
TSPA

>  <dtpname:Chemical Name>
Triethylenethiophosphoramide

>  <dtpname:Chemical Name>
Tris(ethylenimino)thiophosphate

>  <dtpname:Chemical Name>
Thiotriethylenephosphoramide

>  <dtpname:Chemical Name>
Thio-tepa

>  <dtpname:Chemical Name>
Triaziridinylphosphine sulfide

>  <dtpname:Chemical Name>
Triethylenethiophosphorotriamide

>  <dtpname:Chemical Name>
Tri(ethyleneimino)thiophosphoramide

>  <dtpname:Chemical Name>
Tris(1-aziridinyl)phosphine sulfide

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

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

>  <dtpname:Chemical Name>
Phosphorothioic acid triethylenetriamide

>  <dtpname:Chemical Name>
Thiophosphoramide, N,N',N'' -triethylene-

>  <dtpname:Chemical Name>
1,1',1''-Phosphinothioylidynetrisaziridine

>  <dtpname:Chemical Name>
N,N',N''-Triethylenephosphorothioic triamide

>  <dtpname:Chemical Name>
N,N',N''-Tri-1,2-ethanediylthiophosphoramide

>  <dtpname:Chemical Name>
Phosphorothioic triamide, N,N',N''-triethylene

>  <dtpname:Chemical Name>
Thiophosphoramide, N,N',N''-tri-1,2-ethanediyl-

>  <dtpname:Chemical Name>
N,N',N''-Tri-1,2-ethanediylphosphorothioic triamide

>  <dtpname:Chemical Name>
Phosphorothioic triamide, N,N',N''-tri-1,2-ethanediyl-

>  <dtpname:Chemical Name>
TESPA

>  <dtpname:Chemical Name>
Tespa

>  <dtpname:Chemical Name>
STEPA

>  <dtpname:Chemical Name>
Thio-Tep

>  <dtpname:Chemical Name>
TIO TEF

>  <dtpname:Chemical Name>
Tio-tef

>  <dtpname:Chemical Name>
SK 6882

>  <dtpname:Chemical Name>
Tifosyl

>  <dtpname:Chemical Name>
Thiotef

>  <dtpname:Chemical Name>
Tespamin

>  <dtpname:Chemical Name>
Girostan

>  <dtpname:Chemical Name>
Oncotepa

>  <dtpname:Chemical Name>
Tiofozil

>  <dtpname:Chemical Name>
Tiofosyl

>  <dtpname:Chemical Name>
Tespamine

>  <dtpname:Chemical Name>
Thiofozil

>  <dtpname:Chemical Name>
CBC 806495

>  <dtpname:Chemical Name>
NCI-C01649

>  <dtpname:Chemical Name>
Oncotiotepa

>  <dtpname:Chemical Name>
Thio-tepa S

>  <dtpname:Chemical Name>
Tiofosfamid

>  <dtpname:Chemical Name>
Oncothio-tepa

>  <dtpname:Chemical Name>
WLN: T3NTJ APS&- AT3NTJ&- AT3NTJ

>  <dtpname:Chemical Name>
NSC 6396

>  <dtpname:Chemical Name>
Thio-Tepa

>  <dtpname:9th C.I.>
Aziridine, 1,1',1''-phosphinothioylidynetris-

>  <dtpname:8th C.I.>
Phosphine sulfide, tris(1-aziridinyl)-

$$$$
102816
  CML DOM 08121414082D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.4782   -2.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8250   -3.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1770   -3.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6252   -4.4617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3239   -6.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3433   -2.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0420   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8951   -2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5938   -4.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0282   -5.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5279   -5.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0204   -4.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3846   -7.1634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1219   -7.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736   -2.4959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4561   -4.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5501   -5.1072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6 15  1  0  0  0  0
  9 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
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
102816

>  <Release>
October 2011

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

>  <CAS>
320-67-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H12N4O5

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:USAN>
Azacitidine

>  <dtpname:Brand Name>
Mylosar

>  <dtpname:Brand Name>
Vidaza

>  <dtpname:Chemical Name>
Ladakamycin

>  <dtpname:Chemical Name>
5-Azacytidine

>  <dtpname:Chemical Name>
Anitibiotic U 18496

>  <dtpname:Chemical Name>
5-AC

>  <dtpname:Chemical Name>
5 AZC

>  <dtpname:Chemical Name>
5-AZCR

>  <dtpname:Chemical Name>
Azacytidine, 5-

>  <dtpname:Chemical Name>
NCI-C01569

>  <dtpname:Chemical Name>
AZACITIDINE

>  <dtpname:Chemical Name>
WLN: T6NVN ENJ DZ A- BT5OTJ CQ DQ E1Q

>  <dtpname:9th C.I.>
1,3,5-Triazin-2(1H)-one, 4-amino-1-.beta.-D-ribofuranosyl-

>  <dtpname:8th C.I.>
s-Triazin-2(1H)-one, 4-amino-1-.beta.-D-ribofuranosyl-

$$$$
85998
  CML DOM 08121414082D

 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

$$$$
701852
  CML DOM 08121414082D

 19 19  0  0  0  0  0  0  0  0999 V2000
    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
   13.7404    3.0000    0.0000 C   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
    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
    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
   15.0394    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    3.0000    0.0000 N   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
  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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 19  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
 14 19  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
701852

>  <Release>
October 2011

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

>  <CAS>
149647-78-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H20N2O3

>  <Molecular Weight (nearest integer)>
264

>  <dtpname:USAN>
Vorinostat

>  <dtpname:Brand Name>
Zolinza

>  <dtpname:Chemical Name>
SAHA

>  <dtpname:Chemical Name>
Suberoylanilide hydroxamic acid

>  <dtpname:Chemical Name>
N-hydroxy-N'-phenyl-octane-1,8-diotic acid diamide

>  <dtpname:Chemical Name>
SKI390

>  <dtpname:Chemical Name>
WIN64652

>  <dtpname:Chemical Name>
L-001079038

>  <dtpname:Chemical Name>
Octanediamide, N-hydroxy-N'-phenyl-

$$$$
38721
  CML DOM 08121414082D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -5.9461   -6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -6.0000    0.0000 Cl  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
   -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
   -4.6471   -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
   -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
   -9.8433   -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
   -8.5442   -6.0000    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   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -0.7500    0.0000 Cl  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
  1 12  1  0  0  0  0
  2  6  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 12  2  0  0  0  0
 10 18  1  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
 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)-

$$$$
719627
  CML DOM 08121414082D

 26 28  0  0  0  0  0  0  0  0999 V2000
  -10.1899    2.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5017    1.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3870    0.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9604    0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6485    2.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7633    3.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3015   -2.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3015   -3.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6005   -4.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8996   -3.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8996   -2.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6006   -1.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6285   -1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3785    0.2636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8457   -0.0483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0025   -1.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6322   -2.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1367   -1.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2935   -2.6840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9799    0.2995    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449   -1.3490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1986   -4.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3009    5.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3046    3.9665    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4193    4.9701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3083    2.8517    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 24  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 15  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
  7 16  1  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
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  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
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
719627

>  <Release>
October 2011

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

>  <CAS>
169590-42-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14F3N3O2S

>  <Molecular Weight (nearest integer)>
381

>  <dtpname:USAN>
Celecoxib

>  <dtpname:Brand Name>
Celebrex

>  <dtpname:Chemical Name>
SC-58635

>  <dtpname:Chemical Name>
YM177

>  <dtpname:Chemical Name>
Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-

$$$$
740
  CML DOM 08121414082D

 33 35  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -0.7500    0.0000 N   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
   -3.3481   -0.7500    0.0000 N   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
   -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
   -4.6471   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -18.9365   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -15.0394   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0394   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5442   -3.7500    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
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   -3.3481   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.3384   -8.2500    0.0000 O   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
  -22.8336   -6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5346   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1  6  1  0  0  0  0
  2 10  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5 26  1  0  0  0  0
  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
 10 23  1  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 22  1  0  0  0  0
 14 16  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
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 19 25  1  0  0  0  0
 19 28  1  6  0  0  0
 20 21  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
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 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-(+)-

$$$$
754230
  CML DOM 08121414082D

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    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 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    3.7500    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    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 26  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 13  1  0  0  0  0
 12 11  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 19  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
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 28  1  0  0  0  0
 23 34  1  1  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 35 36  3  0  0  0  0
M  END
>  <NSC>
754230

>  <Release>
October 2011

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

>  <CAS>
146464-95-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H23N7O5

>  <Molecular Weight (calculated from formula)>
477.47

>  <dtpname:Chemical Name>
pralatrexate

>  <dtpname:Chemical Name>
Folotyn

$$$$
754143
  CML DOM 08121414082D

 36 37  0  0  0  0  0  0  0  0999 V2000
    8.0706   -0.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4943   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4943    1.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2202    2.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616   -1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6468   -0.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0676   -2.9441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8379   -1.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2260    1.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4171    0.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4201    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8052    3.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3382    3.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2230   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4029    1.7637    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1461    2.5825    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.8437    3.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9620    5.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
 25  1  1  1  0  0  0
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  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  1  0  0  0
  6 34  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  6  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 33 19  1  1  0  0  0
 23 24  2  0  0  0  0
 23 33  1  0  0  0  0
 23 35  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  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
M  END
>  <NSC>
754143

>  <Release>
October 2011

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

>  <CAS>
128517-07-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H36N4O6S2

>  <Molecular Weight (calculated from formula)>
540.70

>  <dtpname:Chemical Name>
Depsipeptide

>  <dtpname:Chemical Name>
Antibiotic FR 901228

>  <dtpname:Chemical Name>
ROMIDEPSIN

>  <dtpname:Chemical Name>
Romidepsin

>  <dtpname:Chemical Name>
API0005301

>  <dtpname:Chemical Name>
FK228

>  <dtpname:Chemical Name>
OXA-12,13-DITHIA-5,8,20,23-TETRAZABICYCLO[8.7.6]TRICOSANE, CYCLIC PEPTIDE DERIV.

>  <dtpname:Chemical Name>
(E)-(1S,4S,10S,21R)-7-[(Z)-Ethylidene]-4,21-diisopropyl-2- oxa-12,13-dithia-5,8,20,23- tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

>  <dtpname:9th C.I.>
L-Valine, N-(3-hydroxy-7-mercapto-1-oxo-4-heptenyl)valyl- cysteinyl-2,3-didehydro-2- aminobutanoyl-,.xi.-lactone, cyclic (1.fwdarw.2)-disulfide

$$$$
180973
  CML DOM 08121414082D

 41 42  0  0  0  0  0  0  0  0999 V2000
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   -7.9327   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6337   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6337   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9327   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2318   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2318   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2318   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5308   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5308   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2318  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9327   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9327   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3346   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7270   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0260   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3250   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6241   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.3250   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4 36  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  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
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  2  0  0  0  0
 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
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)

$$$$
18509
  CML DOM 08121414082D

 10  8  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -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
   -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 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
   -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 O   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
   -4.6471   -6.0000    0.0000 Cl  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  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <NSC>
18509

>  <Release>
October 2011

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

>  <CAS>
5451-09-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H9NO3.ClH

>  <Molecular Weight (nearest integer)>
168

>  <dtpname:USAN>
Aminolevulinic acid hydrochloride

>  <dtpname:Brand Name>
Levulan

>  <dtpname:Chemical Name>
Aminolevulinic acid

>  <dtpname:Chemical Name>
5-Aminolevulinate hydrochloride

>  <dtpname:Chemical Name>
.delta.-Aminolevulinic acid hydrochloride

>  <dtpname:9th C.I.>
Pentanoic acid, 5-amino-4-oxo-, hydrochloride

>  <dtpname:8th C.I.>
Levulinic acid, 5-amino-, hydrochloride

$$$$
127716
  CML DOM 08121414082D

 16 17  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
    1.7164  -10.2718    0.0000 C   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
    2.1345   -7.6317    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
    4.6471   -3.0000    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   -4.5000    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   -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
    4.9798  -10.2718    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
  1  9  2  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7 16  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 15  1  0  0  0  0
M  END
>  <NSC>
127716

>  <Release>
October 2011

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

>  <CAS>
2353-33-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H12N4O4

>  <Molecular Weight (nearest integer)>
228

>  <dtpname:USAN>
Decitabine

>  <dtpname:Brand Name>
Dacogen

>  <dtpname:Chemical Name>
5-Aza-2'-deoxycytidine

>  <dtpname:9th C.I.>
1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-

>  <dtpname:8th C.I.>
s-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl-

$$$$
105014
  CML DOM 08121414082D

 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

$$$$
713563
  CML DOM 08121414082D

 25 28  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
   -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
    0.9241    7.3995    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
    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
    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 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
    7.5468    6.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4285    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5468    9.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103   10.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2770   10.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2770    5.9077    0.0000 H   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
   -1.6740    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8212    8.1495    0.0000 H   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
    4.8212    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  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  6  0  0  0
  8 23  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  6  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  1  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  2  0  0  0  0
 25 22  1  1  0  0  0
 23 24  1  1  0  0  0
M  END
>  <NSC>
713563

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H24O2

>  <Molecular Weight (nearest integer)>
296

>  <dtpname:USAN>
Exemestane

>  <dtpname:Brand Name>
Aromasin

>  <dtpname:Chemical Name>
PNU 155971

>  <dtpname:Chemical Name>
6-Methylenandrosta-1,4-diene-3,17-dione

>  <dtpname:Chemical Name>
FCE-24304

$$$$
606869
  CML DOM 08121414082D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.0389   -1.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7648   -2.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182   -1.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1838   -0.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798   -0.4462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4282   -2.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0746   -1.3679    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6563   -4.1902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6331   -3.9540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3922    0.9365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1039    1.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630    2.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1888    3.2930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9577    2.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1856    0.0059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    0.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9855    1.8794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9038    2.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7081   -0.6161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2629    4.3750    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
  1  6  1  0  0  0  0
  2  3  1  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  1  0  0  0  0
  4 10  1  0  0  0  0
  6  9  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
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  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
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
606869

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H11ClFN5O3

>  <Molecular Weight (nearest integer)>
304

>  <dtpname:USAN>
Clofarabine

>  <dtpname:Brand Name>
Clolar

>  <dtpname:Brand Name>
Clofarex

>  <dtpname:Chemical Name>
Adenosine, 2-chloro-2'-deoxy-2'-fluoro-

>  <dtpname:Chemical Name>
CAFdA

>  <dtpname:Chemical Name>
Adenine, 2-chloro-9-(2-deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-

$$$$
750690
  CML DOM 08121414082D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -6.6450   -6.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2551   -7.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.7223   -8.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7260   -7.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.5145  -13.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 25 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>
750690

>  <Release>
October 2011

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

>  <CAS>
557795-19-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H27FN4O2

>  <Molecular Weight (calculated from formula)>
398.47

>  <dtpname:Chemical Name>
Sunitinib (free base)

>  <dtpname:Chemical Name>
Sutent (free base)

>  <dtpname:Chemical Name>
Sunitinib (free base)

>  <dtpname:Chemical Name>
1H-Pyrrole-3-carboxamide, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-

>  <dtpname:Chemical Name>
1H-Pyrrole-3-carboxamide,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-

$$$$
609699
  CML DOM 08121414082D

 32 35  0  0  0  0  0  0  0  0999 V2000
   13.7317    4.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7317    6.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4327    6.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1336    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1336    4.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4327    3.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5356    6.0772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5355    4.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2273    5.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <NSC>
609699

>  <Release>
October 2011

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

>  <CAS>
119413-54-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H23N3O5.ClH

>  <Molecular Weight (nearest integer)>
458

>  <dtpname:USAN>
Topotecan hydrochloride

>  <dtpname:INN:BAN>
Topotecan

>  <dtpname:Brand Name>
Hycamtin

>  <dtpname:Chemical Name>
Hycamptamine

>  <dtpname:Chemical Name>
9-Dimethylaminomethyl-10-hydroxycamptothecin, HCl salt

>  <dtpname:Chemical Name>
SKF 104864A

>  <dtpname:Chemical Name>
SKF-S 104864-A

>  <dtpname:9th C.I.>
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, monohydrochloride, (4S)-

$$$$
755605
  CML DOM 08121414082D

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.1265   -0.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5205   -0.5367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2736   -1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5264   -1.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
755605

>  <Release>
October 2011

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

>  <CAS>
915087-33-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H16F4N4O2S

>  <Molecular Weight (calculated from formula)>
464.44

>  <dtpname:Chemical Name>
Enzalutamide

>  <dtpname:Chemical Name>
MDV-3100

>  <dtpname:Chemical Name>
F2175

>  <dtpname:Chemical Name>
N-Methyl-4-[3-(4-cyano-3-trifluoromethylphenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]-2-fluorobenzamide

$$$$
758253
  CML DOM 08121414082D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -0.8170   -1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170   -2.4285    0.0000 C   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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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 17  1  1  0  0  0
 13 18  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  6  0  0  0
 24 36  1  1  0  0  0
 26 37  1  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
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 35  1  0  0  0  0
 33 34  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <NSC>
758253

>  <Release>
October 2011

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

>  <CAS>
26833-87-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H39NO9

>  <Molecular Weight (calculated from formula)>
545.62

>  <dtpname:USAN>
Omacetaxine mepesuccinate

>  <dtpname:Chemical Name>
Homoharringtonine

>  <dtpname:Chemical Name>
Synribo

>  <dtpname:Chemical Name>
CGX-635

>  <dtpname:Chemical Name>
H1196

>  <dtpname:Chemical Name>
HHT

>  <dtpname:Chemical Name>
Cephalotaxine, 3-[4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate]

$$$$
256942
  CML DOM 08121414082D

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  9 10  1  0  0  0  0
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 10 19  2  0  0  0  0
 11 12  2  0  0  0  0
 11 33  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
 13 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 23 38  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 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 39  1  0  0  0  0
 28 37  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
256942

>  <Release>
October 2011

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

>  <CAS>
56390-09-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C27H29NO11.ClH

>  <Molecular Weight (nearest integer)>
580

>  <dtpname:Chemical Name>
4'-Epiadriamycin

>  <dtpname:Chemical Name>
Pidorubicin hydrochloride

>  <dtpname:Chemical Name>
4'-epi-Adriamycin hydrochloride

>  <dtpname:Chemical Name>
Epirubicin

>  <dtpname:Chemical Name>
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride

>  <dtpname:9th C.I.>
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-

$$$$
702294
  CML DOM 08121414082D

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   -1.6889   -8.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5359  -13.7712    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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 13  2  1  1  0  0  0
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 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
M  CHG  1  37   1
M  END
>  <NSC>
702294

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H32Cl2NO6P.2Na

>  <Molecular Weight (nearest integer)>
566

>  <dtpname:USAN>
Estramustine phosphate sodium

>  <dtpname:Brand Name>
Estracyt

>  <dtpname:Brand Name>
Emcyte

>  <dtpname:Chemical Name>
Estramustine sodium phosphate

>  <dtpname:Chemical Name>
Ro 21-8837/001

>  <dtpname:Chemical Name>
Leo-299

>  <dtpname:Chemical Name>
EM

$$$$
758252
  CML DOM 08121414082D

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 22 23  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 39  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  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
 44 45  1  0  0  0  0
 45 47  1  0  0  0  0
 45 51  1  0  0  0  0
 48 46  1  6  0  0  0
 48 49  1  1  0  0  0
 48 50  1  0  0  0  0
 49 50  1  0  0  0  0
M  END
>  <NSC>
758252

>  <Release>
October 2011

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

>  <CAS>
868540-17-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C40H57N5O7

>  <Molecular Weight (calculated from formula)>
719.91

>  <dtpname:Chemical Name>
Carfilzomib

>  <dtpname:Chemical Name>
Kyprolis

>  <dtpname:Chemical Name>
CT-CARF

>  <dtpname:Chemical Name>
A-1098

>  <dtpname:Chemical Name>
PR-171

$$$$
3053
  CML DOM 08121414082D

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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

$$$$
45388
  CML DOM 08121414082D

 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)-

$$$$
8806
  CML DOM 08121414082D

 20 19  0  0  0  0  0  0  0  0999 V2000
   -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
   -4.1716   -7.7745    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
   -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
   -1.5735   -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
   -1.5735   -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 Cl  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
   -0.2745   -1.0245    0.0000 Cl  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
   -8.0687   -7.0245    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
   -9.3678   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678   -9.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226   -9.8236    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
  2 14  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  1  0  0  0  0
  8 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  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <NSC>
8806

>  <Release>
October 2011

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

>  <CAS>
3223-07-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H18Cl2N2O2.ClH

>  <Molecular Weight (nearest integer)>
342

>  <dtpname:USAN>
Melphalan

>  <dtpname:Brand Name>
Alkeran

>  <dtpname:Chemical Name>
Phenylalanine mustard hydrochloride

>  <dtpname:Chemical Name>
Melphalan hydrochloride

>  <dtpname:Chemical Name>
L-PAM

>  <dtpname:Chemical Name>
Alanine Nitrogen Mustard

>  <dtpname:Chemical Name>
L-Phenylalanine Mustard hydrochloride

>  <dtpname:Chemical Name>
L-Sarcolysine hydrochloride

>  <dtpname:Chemical Name>
L-Alanine, 3-(p-[bis(2-chloroethyl)amino]phenyl)-, hydrochloride

>  <dtpname:Chemical Name>
CB 3025

>  <dtpname:Chemical Name>
SK 15673

>  <dtpname:Chemical Name>
Melfalan

>  <dtpname:Chemical Name>
MELPHALAN

>  <dtpname:Chemical Name>
WLN: QVYZ1R DN2G2G &GH

>  <dtpname:9th C.I.>
L-Phenylalanine, 4-[bis(2-chloroethyl)amino]-, monohydrochloride

>  <dtpname:8th C.I.>
Alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-, monohydrochloride, L-

$$$$
745750
  CML DOM 08121414082D

 40 44  0  0  0  0  0  0  0  0999 V2000
    9.8572   10.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8572    9.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1563    8.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4553    9.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4553   10.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1563   11.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544    8.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0534    9.0985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0534   10.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544   11.3485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5582    8.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1879    8.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1842    7.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9342    6.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4014    6.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3241    5.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222    3.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304    3.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203    2.1203    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    1.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0534    6.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0534    4.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    3.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6515    6.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    6.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    2.3485    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.6515    4.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9505    3.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2496    4.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5486    3.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5486    2.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8476    1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1467    2.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1467    3.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8476    4.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5102    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544    6.8485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8323    5.0177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4457    4.5985    0.0000 F   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 11  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 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 38  1  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 15  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 16  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 40  1  0  0  0  0
M  END
>  <NSC>
745750

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H26ClFN4O4S

>  <Molecular Weight (calculated from formula)>
581.06

>  <dtpname:USAN>
Lapatinib ditosylate

>  <dtpname:Brand Name>
Tykerb

>  <dtpname:Chemical Name>
Lapatinib

>  <dtpname:Chemical Name>
GW 572016

>  <dtpname:Chemical Name>
N-(3-Chloro-4-{[(3-fluorophenyl)methyl]oxy}phenyl)-6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)-2-furanyl]-4-quinazolinamine

$$$$
628503
  CML DOM 08121414082D

 59 64  0  0  0  0  0  0  0  0999 V2000
    3.7165    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7165   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2165   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9665   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2165    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4665   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4665    1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9665    1.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    3.2898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2165    3.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7165   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9665   -3.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4665   -0.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1538   -1.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8547   -1.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4665   -3.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2165   -4.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6654   -4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9644   -4.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3527   -2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6027   -1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0251   -5.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4740   -4.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8622   -3.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8016   -2.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4133   -6.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8622   -6.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5158   -0.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7686   -5.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7165   -4.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7165   -1.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9665    4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4665    4.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7165    3.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8831   -0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9793   -3.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9537   -3.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9267   -1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898   -0.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8612   -6.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6711   -7.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2853   -6.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8669   -8.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6769   -9.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8727  -11.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2585  -11.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4485  -10.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2528   -9.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 32  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 31  1  6  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 41  1  1  0  0  0
 23 30  2  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 24 55  1  6  0  0  0
 25 26  1  0  0  0  0
 25 29  1  1  0  0  0
 26 27  1  0  0  0  0
 27 42  1  1  0  0  0
 28 29  1  0  0  0  0
 33 38  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 51  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 56 58  1  0  0  0  0
M  END
>  <NSC>
628503

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C43H53NO14

>  <Molecular Weight (nearest integer)>
808

>  <dtpname:USAN>
Docetaxel

>  <dtpname:Brand Name>
Taxotere

>  <dtpname:Chemical Name>
TXT

>  <dtpname:Chemical Name>
RP 56976

$$$$
24559
  CML DOM 08121414082D

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 48 77  1  0  0  0  0
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 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
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 56 62  1  0  0  0  0
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 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

$$$$
92859
  CML DOM 08121414082D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -7.0333   -0.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7343   -1.6333    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7343   -3.1333    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
>  <NSC>
92859

>  <Release>
October 2011

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

>  <CAS>
1327-53-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
As2O3

>  <Molecular Weight (nearest integer)>
198

>  <dtpname:USAN>
Arsenic trioxide

>  <dtpname:Brand Name>
Trisenox

>  <dtpname:Chemical Name>
Arsenic oxide, As2O3

>  <dtpname:Chemical Name>
Arsenic oxide (As2O3)

$$$$
749226
  CML DOM 08121414082D

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M  END
>  <NSC>
749226

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H31NO

>  <Molecular Weight (calculated from formula)>
349.51

>  <dtpname:Chemical Name>
Abiraterone

>  <dtpname:Chemical Name>
17-(3-Pyridyl)androsta-5,16-dien-3.beta.-ol

$$$$
616348
  CML DOM 08121414082D

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 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
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 36 37  1  0  0  0  0
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 40 41  1  0  0  0  0
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 43 44  1  0  0  0  0
M  END
>  <NSC>
616348

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C33H38N4O6.ClH

>  <Molecular Weight (nearest integer)>
623

>  <dtpname:USAN>
Irinotecan hydrochloride

>  <dtpname:INN:BAN>
Irinotecan

>  <dtpname:Brand Name>
Camptosar

>  <dtpname:Brand Name>
Campto

>  <dtpname:Chemical Name>
CPT 11

>  <dtpname:Chemical Name>
Camptothecin 11

>  <dtpname:Chemical Name>
[1,4'-Bipiperidine]-1'-carboxylic acid, 4,11-diethyl-3,4,12, 14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7] indolizino[1,2-b]quinolin-9-yl ester, monohydrochloride (S)-

$$$$
761432
  CML DOM 08121414082D

 61 66  0  0  0  0  0  0  0  0999 V2000
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 58 59  2  0  0  0  0
 58 60  1  0  0  0  0
M  END
>  <NSC>
761432

>  <Release>
October 2011

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

>  <CAS>
183133-96-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C45H57NO14

>  <Molecular Weight (calculated from formula)>
835.93

>  <dtpname:USAN>
Cabazitaxel

>  <dtpname:Chemical Name>
JEVTANA

>  <dtpname:Chemical Name>
XRP6258

$$$$
125066
  CML DOM 08121414082D

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   -4.9063   17.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072   18.6505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3082   16.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6072   14.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3082   17.9005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3342   27.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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103104  2  0  0  0  0
103105  1  0  0  0  0
103106  2  0  0  0  0
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

$$$$
9706
  CML DOM 08121414082D

 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
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  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)-

$$$$
719276
  CML DOM 08121414082D

 44 47  0  0  0  0  0  0  0  0999 V2000
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 39 42  1  0  0  0  0
 39 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <NSC>
719276

>  <Release>
October 2011

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

>  <Structure Evaluation>
No Comparision - no Molecular Formula

>  <dtpname:USAN>
Fulvestrant

>  <dtpname:Brand Name>
Faslodex

>  <dtpname:Chemical Name>
ICI 182,780

$$$$
125973
  CML DOM 08121414082D

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M  END
>  <NSC>
125973

>  <Release>
October 2011

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

>  <CAS>
33069-62-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C47H51NO14

>  <Molecular Weight (nearest integer)>
854

>  <dtpname:USAN>
Paclitaxel

>  <dtpname:Brand Name>
Anzatax

>  <dtpname:Brand Name>
Taxol

>  <dtpname:Chemical Name>
Taxol (Registered Trademark)

>  <dtpname:9th C.I.>
7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxete,benzenepropanoic acid deriv.

>  <dtpname:9th C.I.>
Benzenepropanoic acid, .beta.-(benzoylamino)- .alpha.-hydroxy-, 6,12b-bis(acetyl oxy)-12-(benzoyloxy)- 2a,3,4,4a,5,6,9,10,11,12,12a,12b,- dodecahydro-4,11- dihydroxy-4a,8,13,13-tetramethyl-5-oxo- 7,11-methano- 1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR- [2a.alpha.,4.beta.,4a.beta.,6.beta.,9.alpha.(alpha. R*,.beta.S*),11.alpha.,12.alpha.,12a.alpha.,12b.alpha.]]-

>  <dtpname:8th C.I.>
Tax-11-en-9-one, 5.beta.,20-epoxy-1,2.alpha.,4,7.beta., 10.beta.,13.alpha.- hexahydroxy-, 4,10-diacetate 2- benzoate,13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine

$$$$
608210
  CML DOM 08121414082D

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    4.8617   -7.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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 26 31  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 68  1  0  0  0  0
 31 32  1  0  0  0  0
 31 44  1  0  0  0  0
 31 70  1  6  0  0  0
 32 33  1  0  0  0  0
 32 48  1  6  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 52  1  1  0  0  0
 34 38  1  0  0  0  0
 34 42  1  1  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 41  1  0  0  0  0
 40 41  1  0  0  0  0
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 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 52 53  1  0  0  0  0
 54 55  1  0  0  0  0
 54 59  1  6  0  0  0
 54 61  1  0  0  0  0
 55 56  1  0  0  0  0
 55 60  1  6  0  0  0
 56 57  1  0  0  0  0
 56 58  2  0  0  0  0
 61 62  1  0  0  0  0
 61 63  2  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
 68 69  1  0  0  0  0
M  END
>  <NSC>
608210

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C45H54N4O8.2C4H6O6

>  <Molecular Weight (nearest integer)>
1079

>  <dtpname:USAN>
Vinorelbine tartrate

>  <dtpname:INN:BAN>
Vinorelbine

>  <dtpname:Brand Name>
Navelbine

>  <dtpname:Brand Name>
Biovelbin

>  <dtpname:Chemical Name>
Navelbine ditartrate

>  <dtpname:Chemical Name>
Vinorelbine ditartrate

$$$$
241240
  CML DOM 08121414082D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.4865   -6.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126   -5.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126   -4.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116   -6.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116   -3.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4244   -2.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6363   -4.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4107   -5.8352    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116   -2.0852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4107   -4.3352    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
   -4.8879   -5.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9237   -7.2447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9595   -8.3938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4009   -7.5052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8521   -6.7238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4009   -4.1652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 11  7  1  0  0  0  0
 10  8  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <NSC>
241240

>  <Release>
October 2011

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

>  <CAS>
41575-94-4

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for C6H10N2O4Pt in C6H12N2O4Pt

>  <Molecular Formula in DIS>
C6H12N2O4Pt

>  <Molecular Weight (nearest integer)>
371

>  <dtpname:USAN>
Carboplatin

>  <dtpname:Brand Name>
Paraplatin

>  <dtpname:Brand Name>
Paraplat

>  <dtpname:Chemical Name>
CBDCA

>  <dtpname:Chemical Name>
1,1-Cyclobutanedicarboxylate diammine platinum(II)

>  <dtpname:Chemical Name>
cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II)

>  <dtpname:Chemical Name>
cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II)

>  <dtpname:Chemical Name>
Platinum(II), (1,1-cyclobutanedicarboxylato)diammine-, cis-

>  <dtpname:Chemical Name>
Platinum, diamine(1,1-cyclobutanedicarboxylato(2-)-O,O')-, (SP-4-2)-

>  <dtpname:9th C.I.>
Platinum, diammine[1,1-cyclobutanedicarboxylato(2-)-O,O']-, (SP-4-2)-

$$$$
758246
  CML DOM 08121414082D

 37 41  0  0  0  0  0  0  0  0999 V2000
   -1.7585    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585   -0.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0654   -0.7832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0654    0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3204   -0.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0135    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3204    0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4505   -0.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3204    3.2166    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0915    3.2166    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.1595   -2.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1533   -1.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8553   -3.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4514    0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8534    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2555    0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3204   -3.1832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3204    1.6166    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
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  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
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 37  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
 20 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 22 37  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
 25 29  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 36  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <NSC>
758246

>  <Release>
October 2011

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

>  <CAS>
871700-17-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H23FIN5O4

>  <Molecular Weight (calculated from formula)>
615.39

>  <dtpname:Chemical Name>
GSK-1120212

>  <dtpname:Chemical Name>
Trametinib

>  <dtpname:Chemical Name>
Mekinist

>  <dtpname:Chemical Name>
A-1083

>  <dtpname:Chemical Name>
G1357

>  <dtpname:Chemical Name>
N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide GENERAL

$$$$
49842
  CML DOM 08121414082D

 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
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   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
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   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
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    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
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    8.0054   -0.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1 14  1  0  0  0  0
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  1  2  1  0  0  0  0
  3 33  1  0  0  0  0
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  3 44  1  0  0  0  0
 41  4  1  6  0  0  0
  4  8  1  0  0  0  0
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  9 46  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 18 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
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 26 27  1  0  0  0  0
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 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)

$$$$
683864
  CML DOM 08121414082D

 73 76  0  0  0  0  0  0  0  0999 V2000
   -4.6324   -2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8235   -3.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6305   -4.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0983   -4.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8790   -2.6081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2484   -1.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -5.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4726   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9650   -6.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2294    1.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6509    3.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9930    0.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6354   17.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1631   18.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0635   -2.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6399    6.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5256   -0.7777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4550   16.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    3.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516   12.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985   14.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6509   -7.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6678    2.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7554    1.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1890    8.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6385   -4.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6003   17.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
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 52 57  1  0  0  0  0
 53 73  1  0  0  0  0
 59 60  1  0  0  0  0
 61 62  1  0  0  0  0
 63 64  1  0  0  0  0
M  END
>  <NSC>
683864

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C56H87NO16

>  <Molecular Weight (nearest integer)>
1030

>  <dtpname:Chemical Name>
CCI-779

>  <dtpname:Chemical Name>
WAY-130,779

>  <dtpname:Chemical Name>
Temsirolimus

>  <dtpname:Chemical Name>
Rapamycin 42-[3-hydroxy-2(hydroxymethyl)-2-methylpropanoate]

$$$$
718781
  CML DOM 08121414082D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.1717    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1717    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
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
718781

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H23N3O4.HCl

>  <Molecular Weight (nearest integer)>
430

>  <dtpname:USAN>
Erlotinib hydrochloride

>  <dtpname:Brand Name>
Tarceva

>  <dtpname:Chemical Name>
OSI-744

>  <dtpname:Chemical Name>
Erlotinib

>  <dtpname:Chemical Name>
CP-358,774

>  <dtpname:Chemical Name>
[6,7-Bis(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl- phenyl)amine hydrochloride

$$$$
764134
  CML DOM 08121414082D

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 34 35  2  0  0  0  0
 34 38  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
>  <NSC>
764134

>  <Release>
October 2011

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

>  <CAS>
1195768-06-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H20F3N5O2S2.CH3SO3H

>  <Molecular Weight (calculated from formula)>
615.67

>  <dtpname:Chemical Name>
Dabrafenib Mesylate

>  <dtpname:Chemical Name>
GSK2118436B

>  <dtpname:Chemical Name>
Tafinlar

>  <dtpname:Chemical Name>
CT-DABR

$$$$
67574
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 59 60  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
 63 64  1  0  0  0  0
 66 67  2  0  0  0  0
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)

$$$$
613327
  CML DOM 08121414082D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.2224   -8.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0089   -9.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7954   -8.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2589   -7.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7589   -7.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -8.3919    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6312   -9.3189    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6490   -9.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -6.2153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1146   -6.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962   -5.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861   -3.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056   -3.6314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9873   -4.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4791   -4.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9609  -10.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0089  -11.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2678   -2.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161   -9.4142    0.0000 Cl  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  8  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  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  8 16  1  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
613327

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H11F2N3O4.ClH

>  <Molecular Weight (nearest integer)>
300

>  <dtpname:USAN>
Gemcitabine hydrochloride

>  <dtpname:INN:BAN>
Gemcitabine

>  <dtpname:Brand Name>
Gemzar

>  <dtpname:Chemical Name>
Difluorodeoxycytidine hydrochloride

>  <dtpname:Chemical Name>
dFdCyd

>  <dtpname:Chemical Name>
dFdC

>  <dtpname:Chemical Name>
LY-188011

$$$$
296961
  CML DOM 08121414082D

 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

$$$$
122819
  CML DOM 08121414082D

 49 56  0  0  0  0  0  0  0  0999 V2000
   -7.6364   -0.1709    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8402   11.3504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7244    1.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4136   13.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    1.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3345    3.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705    3.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2481    5.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5833    6.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3244   10.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9598    6.5336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6880    9.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9015    7.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2932   14.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7850   14.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6831   12.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648   11.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6667   13.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0566   11.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9382   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4300   10.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3281    9.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9015    8.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0401   11.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5319   12.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2098    7.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3117    9.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4136   10.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3281    6.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7016    7.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8035    9.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8402   12.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4093    4.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0669    3.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5632    2.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4020    4.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7445    5.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563    1.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3595    2.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5832    1.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1363   -0.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3951   15.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8869   15.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9057    4.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8984    4.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4115   15.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1913   12.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188   11.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4468    0.2230    0.0000 H   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 28  1  0  0  0  0
  2 32  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 38  1  0  0  0  0
  3 49  1  6  0  0  0
  4 25  1  0  0  0  0
  4 32  1  0  0  0  0
  5  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7 33  1  0  0  0  0
  8 33  1  0  0  0  0
  8 37  1  0  0  0  0
 30  9  1  6  0  0  0
  9 37  1  0  0  0  0
 22 10  1  6  0  0  0
 26 11  1  1  0  0  0
 12 23  2  0  0  0  0
 13 23  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 15 18  2  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 27  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 24 25  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 31  2  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 44  1  0  0  0  0
 36 37  1  0  0  0  0
 36 45  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
 42 43  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <NSC>
122819

>  <Release>
October 2011

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

>  <CAS>
29767-20-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H32O13S

>  <Molecular Weight (nearest integer)>
657

>  <dtpname:USAN>
Teniposide

>  <dtpname:Brand Name>
Vumon

>  <dtpname:Brand Name>
Vee M-26

>  <dtpname:Chemical Name>
VM 26

>  <dtpname:Chemical Name>
4'-Demethylepipodophyllotoxin thenylidene glucoside

>  <dtpname:Chemical Name>
4-Demethylepipodophyllotoxin-.beta.-D-thenylideneglucoside

>  <dtpname:Chemical Name>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-.beta.-D-glucopyranosyl]oxy]-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.beta.)]-

>  <dtpname:Chemical Name>
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-.beta.-D-glucopyranosyl]oxy]-, [5R-(5.alpha.,5a.beta.,8a.alpha.,9.beta.)]-

>  <dtpname:Chemical Name>
PTG

>  <dtpname:Chemical Name>
EPT

>  <dtpname:Chemical Name>
Vehem

>  <dtpname:Chemical Name>
Veham-Sandoz

>  <dtpname:Chemical Name>
NSC122819

>  <dtpname:Chemical Name>
TENIPOSIDE

>  <dtpname:Chemical Name>
NSC 12819

>  <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-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-.beta.-D-glucopyranosyl]oxy]-, [5R-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(R*)]]-

>  <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-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-.beta.-D-glucopyranosyl]oxy]-, [5R-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(R*)]]-

>  <dtpname:8th C.I.>
Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-.beta.-D-glucopyranoside)

>  <dtpname:8th C.I.>
Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thienylidene-.beta.-D-glucopyranoside)

$$$$
226080
  CML DOM 08121414082D

 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
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   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
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   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
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 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

$$$$
369100
  CML DOM 08121414082D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.7131    1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7131   -0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0122   -0.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112   -0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112    1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121    2.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6102    2.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6102    3.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112    4.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121    3.6270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0368    1.6635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9185    2.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0368    4.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5003    0.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9676   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9713    1.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4311   -1.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112    5.8770    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
  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
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
369100

>  <Release>
October 2011

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

>  <CAS>
99011-02-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H16N4

>  <Molecular Weight (nearest integer)>
240

>  <dtpname:USAN>
Imiquimod

>  <dtpname:Brand Name>
Aldara

>  <dtpname:Chemical Name>
1H-Imidazo[4,5-c]quinolin-4-amine, 1-(2-methylpropyl)-

$$$$
721517
  CML DOM 08121414082D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -7.2845    4.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5835    3.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2717    2.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7799    2.1287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1698    3.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0299    0.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049    0.8297    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049    2.3297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299   -1.1953    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299    0.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5905   -2.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9788   -1.5835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5299    2.3297    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
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <NSC>
721517

>  <Release>
October 2011

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

>  <CAS>
118072-93-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C5H10N2O7P2

>  <Molecular Weight (nearest integer)>
272

>  <dtpname:USAN>
Zoledronic acid

>  <dtpname:Brand Name>
Zometa

>  <dtpname:Chemical Name>
Zoledronate

>  <dtpname:Chemical Name>
CPG 42446

>  <dtpname:Chemical Name>
(1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid

>  <dtpname:9th C.I.>
Phosphonic acid,[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-

$$$$
246131
  CML DOM 08121414082D

 51 55  0  0  0  0  0  0  0  0999 V2000
  -15.2061  -11.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2061   -5.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7109  -13.4301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0100  -11.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2061   -6.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9071   -7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8042   -6.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.1033   -7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5052   -7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6081   -6.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3090   -7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1128  -13.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8042  -11.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4119  -12.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2337   -7.6906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1979   -6.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7207   -5.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2077   -4.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7305   -4.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2174   -2.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402   -2.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272   -1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1621   -4.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9252  -13.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
246131

>  <Release>
October 2011

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

>  <CAS>
56124-62-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H36F3NO13

>  <Molecular Weight (nearest integer)>
724

>  <dtpname:USAN>
Valrubicin

>  <dtpname:Brand Name>
Valtaxin

>  <dtpname:Brand Name>
Valstar

>  <dtpname:Chemical Name>
Trifluoroacetyladriamycin-14-valerate

>  <dtpname:Chemical Name>
Adriamycin, trifluoroacetyl-, 14-valerate

>  <dtpname:Chemical Name>
AD 32

>  <dtpname:Chemical Name>
Antibiotic AD 32

>  <dtpname:Chemical Name>
N-Trifluoroacetyladriamycin-14-valerate

>  <dtpname:Chemical Name>
NSC-246131

>  <dtpname:9th C.I.>
Pentanoic acid, 2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)-

$$$$
733504
  CML DOM 08121414082D

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 65 66  1  0  0  0  0
M  END
>  <NSC>
733504

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C53H83NO14

>  <Molecular Weight (nearest integer)>
958

>  <dtpname:USAN>
Everolimus

>  <dtpname:Brand Name>
Afinitor

$$$$
761388
  CML DOM 08121414082D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
761388

>  <Release>
October 2011

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

>  <CAS>
110078-46-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H54N8

>  <Molecular Weight (calculated from formula)>
502.78

>  <dtpname:USAN>
Plerixafor

>  <dtpname:Chemical Name>
API0005282

>  <dtpname:Chemical Name>
A-1905

$$$$
266046
  CML DOM 08121414082D

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   -3.3901   -4.5474    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.3901   -2.1203    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.9635   -4.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635   -2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.7022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1781   -2.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1781   -4.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8791   -4.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5801   -4.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5800   -2.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8791   -1.8339    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  6  1  0  0  0  0
  3  7  1  0  0  0  0
 18  3  1  1  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
 17  4  1  6  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 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  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  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  5   3   1   4   1   7   2   8  -1   9  -1
M  END
>  <NSC>
266046

>  <Release>
October 2011

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

>  <CAS>
61825-94-3

>  <Structure Evaluation>
No Comparision - Unparameterized Atom - O(a9) connected atoms =[ Pt C ]

>  <Molecular Formula in DIS>
C8H14N2O4Pt

>  <Molecular Weight (nearest integer)>
397

>  <dtpname:USAN>
Oxaliplatin

>  <dtpname:Brand Name>
Eloxatin

>  <dtpname:Brand Name>
Dacotin

>  <dtpname:Chemical Name>
Oxalatoplatin

>  <dtpname:Chemical Name>
Oxalatoplatinum

>  <dtpname:Chemical Name>
1,2-Cyclohexanediamine, platinum complex, (1R-trans)-

>  <dtpname:Chemical Name>
1-OHP

>  <dtpname:Chemical Name>
DACPLAT

>  <dtpname:Chemical Name>
RP 54780

>  <dtpname:9th C.I.>
Platinum, [(1R,2R)-1,2-cyclohexanediamine-.kappa.N, .kappa.N'][ethanedioato(2-)-.kappa.O1,.kappa.O2]-,(SP-4-2)-

$$$$
