757
  CML DOM 08121414052D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -4.2428   -2.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -3.2113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669    3.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3684    2.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8032    2.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6063    1.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427    0.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506    0.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815    1.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7761    1.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8986   -1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4598   -1.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6091   -0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0657   -2.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7516   -2.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5710   -2.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1531   -1.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0944    0.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6559    1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983    2.9043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7620    1.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270   -3.8778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174   -4.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -4.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4734   -6.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    4.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3275    5.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5321    3.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9336    3.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
 17  2  1  1  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  6  2  0  0  0  0
  4 29  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 23  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
757

>  <Release>
October 2011

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

>  <CAS>
64-86-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H25NO6

>  <Molecular Weight (nearest integer)>
399

>  <dtpname:Chemical Name>
Colcin

>  <dtpname:Chemical Name>
NSC 757

>  <dtpname:Chemical Name>
Condylon

>  <dtpname:Chemical Name>
Colsaloid

>  <dtpname:Chemical Name>
Colchisol

>  <dtpname:Chemical Name>
COLCHICINE

>  <dtpname:Chemical Name>
Colchineos

>  <dtpname:Chemical Name>
COLCHICINE

>  <dtpname:Chemical Name>
7.alpha.H-Colchicine

>  <dtpname:Chemical Name>
component of ColBenemid

>  <dtpname:Chemical Name>
N-Acetyl trimethylcolchicinic acid methylether

>  <dtpname:Chemical Name>
Benzo[a]heptalen-9(5H)-one, 7-acetamido-6,7-dihydro-1,2,3,10-tetramethoxy-

>  <dtpname:Chemical Name>
Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[.alpha.]heptalen-7-yl)-

>  <dtpname:Chemical Name>
Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(.alpha.)heptalen-7-yl)-

>  <dtpname:Chemical Name>
WLN: L B677 MV&T&J CO1 DO1 EO1 JMV1 NO1

>  <dtpname:9th C.I.>
Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-

>  <dtpname:9th C.I.>
Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)-

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

>  <dtpname:German Name>
Colchicin

>  <dtpname:Italian Name>
Colchicina

$$$$
7524
  CML DOM 08121414052D

 52 59  0  0  0  0  0  0  0  0999 V2000
   11.1100    1.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1672    5.0323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4321    3.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4293    4.8193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7283    8.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0274    9.3193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0274   10.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3264   10.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7283   10.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3264    8.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0274    7.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0274    6.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7283    5.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4293    6.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4293    7.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1302    5.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7283    4.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1302    4.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7036    6.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8220    4.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4293    3.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7036    3.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3302    4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    5.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9567    5.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0935    2.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7201    3.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3466    4.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6018    2.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2283    3.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5997    6.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1079    6.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    5.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8713    3.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4978    4.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3795    3.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262    7.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344    7.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0060    4.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1243    5.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9732    5.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5833    6.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8548    4.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5975    1.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9403    6.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9734    7.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9734    2.5775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7283    7.0693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0273   12.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0274    3.3193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5046    6.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5404    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27  1  1  1  0  0  0
 22  2  1  1  0  0  0
 20  3  1  6  0  0  0
 30  3  1  0  0  0  0
 14  4  1  1  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
 11  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 49  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 51  1  1  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 48  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 46  1  6  0  0  0
 17 21  1  0  0  0  0
 17 50  1  1  0  0  0
 18 22  1  0  0  0  0
 18 21  1  0  0  0  0
 18 47  1  6  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 20 22  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 23 45  1  1  0  0  0
 24 25  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  1  0  0  0  0
 28 43  1  1  0  0  0
 30 44  1  6  0  0  0
 31 33  2  0  0  0  0
 31 32  1  0  0  0  0
 32 35  2  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 33 41  1  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
 35 39  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <NSC>
7524

>  <Release>
October 2011

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

>  <CAS>
71-62-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C36H51NO11

>  <Molecular Weight (nearest integer)>
674

>  <dtpname:Chemical Name>
Veratrine

>  <dtpname:Chemical Name>
Veratridine

>  <dtpname:Chemical Name>
VERATRIDINE

>  <dtpname:Chemical Name>
3-Veratroylveracevine

>  <dtpname:Chemical Name>
4,9-Epoxycevane-3,4,12,14,16,17,20-heptol 3-(3,4-dimethoxybenzoate)

>  <dtpname:Chemical Name>
WLN: T J6 H6 E6 D5665/TC& 3ATU C& ON TX C&OTJ EQ GQ HQ IQ I1 M1 RQ U1 A&OVR CO1 DO1& B&Q

>  <dtpname:9th C.I.>
Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(3,4-dimethoxybenzoate), (3.beta.,4.alpha.,16.beta.)-

>  <dtpname:VAN>
Veratrine (amorphous)

$$$$
12097
  CML DOM 08121414052D

 16 18  0  0  0  0  0  0  0  0999 V2000
    5.9462    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    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
    8.5442    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  2  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <NSC>
12097

>  <Release>
October 2011

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

>  <CAS>
635-78-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H7NO3

>  <Molecular Weight (nearest integer)>
213

>  <dtpname:Chemical Name>
RESORUFIN

>  <dtpname:Chemical Name>
Resorufin

>  <dtpname:Chemical Name>
Resorufine

>  <dtpname:Chemical Name>
7-Hydroxyphenoxazin-3-one

>  <dtpname:9th C.I.>
3H-Phenoxazin-3-one, 7-hydroxy-

>  <dtpname:8th C.I.>
3H-Phenoxazin-3-one, 7-hydroxy-

$$$$
23969
  CML DOM 08121414052D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.2745   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7011   -9.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7011  -11.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3235  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -4.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828  -10.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647  -13.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1646   -8.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 18  1  0  0  0  0
  5 22  1  0  0  0  0
  6 19  1  0  0  0  0
  6  9  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 16  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  1  0  0  0  0
 18 23  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
23969

>  <Release>
October 2011

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

>  <CAS>
6879-74-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H35NO2

>  <Molecular Weight (nearest integer)>
346

>  <dtpname:Chemical Name>
Himbacine

>  <dtpname:Chemical Name>
HIMBAFCINE

$$$$
31048
  CML DOM 08121414052D

 43 47  0  0  0  0  0  0  0  0999 V2000
   10.6668   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3677   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9658   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6668   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7246    8.8462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1716    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   14.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 14 18  1  0  0  0  0
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 17 28  1  0  0  0  0
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 18 20  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 26  1  0  0  0  0
 21 23  1  0  0  0  0
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 22 26  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 33  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 35  1  0  0  0  0
 32 43  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <NSC>
31048

>  <Release>
October 2011

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

>  <CAS>
13241-33-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H34O15

>  <Molecular Weight (nearest integer)>
611

>  <dtpname:Chemical Name>
NEOHESPERIDIN

>  <dtpname:Chemical Name>
Hesperetin 7-neohesperidoside

>  <dtpname:9th C.I.>
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-

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

$$$$
36351
  CML DOM 08121414052D

 25 29  0  0  0  0  0  0  0  0999 V2000
    5.4707    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806   11.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4825   10.2782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8724   11.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  2  0  0  0  0
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 14 15  2  0  0  0  0
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 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <NSC>
36351

>  <Release>
October 2011

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

>  <CAS>
29074-38-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H21NO4

>  <Molecular Weight (nearest integer)>
339

>  <dtpname:Chemical Name>
DL-Canadine

>  <dtpname:Chemical Name>
CANADINE (DL-)

>  <dtpname:Chemical Name>
(.+-.)-Canadine

>  <dtpname:Chemical Name>
Canadine, (.+-.)-

>  <dtpname:Chemical Name>
(.+-.)-Tetrahydroberberine

>  <dtpname:9th C.I.>
6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8,13,13a-tetrahydro-9,10,dimethoxy-, (.+-.)-

>  <dtpname:8th C.I.>
Berbine, 9,10-dimethoxy-2,3-(methylenedioxy)-, (.+-.)-

$$$$
56464
  CML DOM 08121414052D

 49 55  0  0  0  0  0  0  0  0999 V2000
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 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 48 49  1  0  0  0  0
M  END
>  <NSC>
56464

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H47NO11

>  <Molecular Weight (nearest integer)>
646

>  <dtpname:Chemical Name>
ACONITINE

>  <dtpname:Chemical Name>
Aconitine

$$$$
71795
  CML DOM 08121414052D

 20 23  0  0  0  0  0  0  0  0999 V2000
  -10.3563   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -2.5365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700   -1.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0573   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3563   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1602   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7582   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7336   -4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -3.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8519   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6317   -6.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235   -6.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0573   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4592   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <NSC>
71795

>  <Release>
October 2011

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

>  <CAS>
519-23-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H14N2

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:Chemical Name>
NSC 71795

>  <dtpname:Chemical Name>
Ellipticine

>  <dtpname:Chemical Name>
ELLIPTICINE

>  <dtpname:Chemical Name>
Elliptisine

>  <dtpname:Chemical Name>
ELLIPTICINE

>  <dtpname:Chemical Name>
5,11-Dimethyl-6H-pyrido[4,3-b]carbazole

>  <dtpname:Chemical Name>
WLN: T D6 B656 FN LMJ C1 J1

>  <dtpname:9th C.I.>
6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-

>  <dtpname:8th C.I.>
6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-

$$$$
87511
  CML DOM 08121414052D

 28 31  0  0  0  0  0  0  0  0999 V2000
  -10.1383    2.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0345   -5.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6368   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6368   -4.7454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3614    0.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2841   -1.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8532   -0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1650   -1.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8660   -2.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7513   -1.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4641   -2.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8660   -3.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4641   -3.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1650   -4.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9442   -0.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0992   -1.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4400   -0.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7501   -3.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0908   -1.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2459   -3.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0992   -4.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2850    0.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7808    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8967   -4.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2934    0.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8569    1.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1650   -6.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5670   -4.5602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  2  0  0  0  0
  2 21  2  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4 13  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 22  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 20 24  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
87511

>  <Release>
October 2011

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

>  <CAS>
549-06-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C19H14O9

>  <Molecular Weight (nearest integer)>
386

>  <dtpname:Chemical Name>
STICTIC ACID

>  <dtpname:Chemical Name>
Stictic acid

>  <dtpname:Chemical Name>
Isophthalaldehydic acid, 2-[(3-carboxy-.alpha.2,.alpha.2,4,6-tetrahydroxy-2,5-xylyl)oxy]-4-methoxy-6-methyl-, .gamma.-lactone, .epsilon.-lactone

$$$$
114344
  CML DOM 08121414052D

 21 22  0  0  0  0  0  0  0  0999 V2000
  -11.5173   -0.4485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0221    1.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7231   -0.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.8505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9192    2.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6202    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3212    2.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2183    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6202    0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2183    0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9192   -0.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3212   -0.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0221    0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5173    2.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8163    1.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5173    4.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9192    4.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3211   -1.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4731   -1.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4240   -1.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -0.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
 13  3  1  6  0  0  0
  3  4  1  1  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  5  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
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
114344

>  <Release>
October 2011

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

>  <CAS>
3615-05-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H16O5

>  <Molecular Weight (nearest integer)>
276

>  <dtpname:Chemical Name>
ASCOCHITINE

>  <dtpname:Chemical Name>
Ascochitine

>  <dtpname:Chemical Name>
Aschchitine from B624868 K051

$$$$
2952
  CML DOM 08121414052D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -5.4707   -8.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7339   -8.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2111   -8.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2209  -10.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0197   -9.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 20  1  1  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
2952

>  <Release>
October 2011

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

>  <CAS>
1740-19-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H28O2

>  <Molecular Weight (nearest integer)>
300

>  <dtpname:Chemical Name>
DHA

>  <dtpname:Chemical Name>
Dehydroabietate

>  <dtpname:Chemical Name>
DEHYDROABIETIC ACID

>  <dtpname:Chemical Name>
Dehydroabietic acid

>  <dtpname:Chemical Name>
Abietic acid, dehydro-

>  <dtpname:Chemical Name>
Abieta-8,11,13-trien-18-oic acid

>  <dtpname:Chemical Name>
13-Isopropylpodocarpa-8,11,13-trien-15-oic acid

>  <dtpname:Chemical Name>
1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid

>  <dtpname:9th C.I.>
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-

>  <dtpname:8th C.I.>
Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-

$$$$
7668
  CML DOM 08121414052D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -5.3863   -1.4290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9561   -0.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1678    0.1642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4914   -1.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4082    0.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3956    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8477    2.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8351    4.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3704    3.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3579    4.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068    4.5564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2797   -2.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0393   -2.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5746   -3.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4380   -1.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9026   -2.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9152   -1.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3799   -1.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3925   -0.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8572   -0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8697    0.4015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3093   -2.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0611   -0.8484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  4  3  1  1  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
7668

>  <Release>
October 2011

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

>  <CAS>
533-87-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H32O5

>  <Molecular Weight (nearest integer)>
304

>  <dtpname:Chemical Name>
ALEURITIC ACID

>  <dtpname:Chemical Name>
Aleuritic acid

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

>  <dtpname:Chemical Name>
9,10,16-Trihydroxypalmitic acid

>  <dtpname:9th C.I.>
Hexadecanoic acid, 9,10,16-trihydroxy-, (R*,S*)-(.+-.)-

>  <dtpname:8th C.I.>
Hexadecanoic acid, 9,10,16-trihydroxy-, (R*,S*)-(.+-.)-

$$$$
13252
  CML DOM 08121414052D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.0490    6.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8791    6.3991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    6.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8075    6.3991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2847    6.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2944    7.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    9.3086    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 23  2  0  0  0  0
  9  3  1  6  0  0  0
 11  4  1  6  0  0  0
 10  5  1  1  0  0  0
  6 21  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  1  0  0  0
  8 19  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  2  0  0  0  0
 12 36  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
 16 33  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 29  1  6  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 22 28  1  0  0  0  0
 24 25  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <NSC>
13252

>  <Release>
October 2011

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

>  <CAS>
64-72-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H23ClN2O8.ClH

>  <Molecular Weight (nearest integer)>
515

>  <dtpname:Chemical Name>
CLTC

>  <dtpname:Chemical Name>
U-6780

>  <dtpname:Chemical Name>
B-Aureo

>  <dtpname:Chemical Name>
Tetra 5

>  <dtpname:Chemical Name>
NSC-13252

>  <dtpname:Chemical Name>
AUREOMYCIN

>  <dtpname:Chemical Name>
Auxeomycin

>  <dtpname:Chemical Name>
Isphamycin

>  <dtpname:Chemical Name>
Clorocipan

>  <dtpname:Chemical Name>
Lymecycline

>  <dtpname:Chemical Name>
Aureocarmyl

>  <dtpname:Chemical Name>
Aureocycline

>  <dtpname:Chemical Name>
Aureociclina

>  <dtpname:Chemical Name>
Biomycin hydrochloride

>  <dtpname:Chemical Name>
Psittacin hydrochloride

>  <dtpname:Chemical Name>
Biomitsin hydrochloride

>  <dtpname:Chemical Name>
Aureomycin hydrochloride

>  <dtpname:Chemical Name>
Chlortetracyclinium chloride

>  <dtpname:Chemical Name>
Aureomycin monohydrochloride

>  <dtpname:Chemical Name>
Chlortetracycline hydrochloride

>  <dtpname:Chemical Name>
Chlorotetracycline hydrochloride

>  <dtpname:Chemical Name>
7-Chlorotetracycline hydrochloride

>  <dtpname:Chemical Name>
Chlortetracycline, monohydrochloride

>  <dtpname:Chemical Name>
7-Chlorotetracycline monohydrochloride

>  <dtpname:Chemical Name>
Tetracycline, 7-chloro-, hydrochloride

>  <dtpname:Chemical Name>
7-Chloro-4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacene-carboxamide, hydrochloride

>  <dtpname:Chemical Name>
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride

>  <dtpname:Chemical Name>
WLN: L E6 C666 BV FV CU GUTTT&J DQ EQ GVZ HQ IN1&1 MQ M1 OG RQ &GH

>  <dtpname:9th C.I.>
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-

>  <dtpname:9th C.I.>
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-

>  <dtpname:8th C.I.>
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride

>  <dtpname:8th C.I.>
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride

$$$$
26258
  CML DOM 08121414052D

 32 36  0  0  0  0  0  0  0  0999 V2000
   -9.6665   -6.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0684   -4.9470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0684   -9.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7694   -5.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7694  -10.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7576   -5.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795   -2.6057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3677   -4.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8594   -4.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1713   -5.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723   -6.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4703   -6.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723   -7.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4703   -7.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1713   -8.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7694   -8.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0684   -7.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3675   -5.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0684   -6.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3675   -8.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6665   -7.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9655   -8.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3675  -10.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9655  -10.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6665  -10.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2646  -10.9470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5636  -10.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6665  -12.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9655  -13.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0589   -3.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736   -4.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708   -2.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 21  1  0  0  0  0
 19  2  1  6  0  0  0
 17  3  1  6  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5 16  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <NSC>
26258

>  <Release>
October 2011

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

>  <CAS>
83-79-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H22O6

>  <Molecular Weight (nearest integer)>
394

>  <dtpname:Chemical Name>
CUBE

>  <dtpname:Chemical Name>
Ro-Ko

>  <dtpname:Chemical Name>
Cubor

>  <dtpname:Chemical Name>
Deril

>  <dtpname:Chemical Name>
Derris

>  <dtpname:Chemical Name>
Haiari

>  <dtpname:Chemical Name>
Extrax

>  <dtpname:Chemical Name>
Derrin

>  <dtpname:Chemical Name>
Mexide

>  <dtpname:Chemical Name>
Ronone

>  <dtpname:Chemical Name>
Noxfish

>  <dtpname:Chemical Name>
Rotenon

>  <dtpname:Chemical Name>
ENT 133

>  <dtpname:Chemical Name>
ROTENONE

>  <dtpname:Chemical Name>
ROTENONE

>  <dtpname:Chemical Name>
Barbasco

>  <dtpname:Chemical Name>
Dactinol

>  <dtpname:Chemical Name>
Fish-Tox

>  <dtpname:Chemical Name>
Rotefive

>  <dtpname:Chemical Name>
Rotefour

>  <dtpname:Chemical Name>
Rotenone

>  <dtpname:Chemical Name>
Rotocide

>  <dtpname:Chemical Name>
Paraderil

>  <dtpname:Chemical Name>
Chem-Mite

>  <dtpname:Chemical Name>
Cube root

>  <dtpname:Chemical Name>
Tubatoxin

>  <dtpname:Chemical Name>
Nicouline

>  <dtpname:Chemical Name>
Rotessenol

>  <dtpname:Chemical Name>
NCI-C55210

>  <dtpname:Chemical Name>
Derris root

>  <dtpname:Chemical Name>
Cube-Pulver

>  <dtpname:Chemical Name>
Cube extract

>  <dtpname:Chemical Name>
Pro-nox fish

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

>  <dtpname:Chemical Name>
Liquid Derris

>  <dtpname:Chemical Name>
Derris resins

>  <dtpname:Chemical Name>
Powder and root

>  <dtpname:Chemical Name>
5'.beta.-Rotenone

>  <dtpname:Chemical Name>
Cenol garden dust

>  <dtpname:Chemical Name>
Curex flea duster

>  <dtpname:Chemical Name>
Green Cross Warble Powder

>  <dtpname:Chemical Name>
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-isopropenyl-8,9-dimethoxy-

>  <dtpname:Chemical Name>
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-.alpha.-isopropenyl-8,9-dimethoxy-

>  <dtpname:Chemical Name>
(1)Benzopyrano[3,4-b]furo[2,3-h](1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-.alpha.-iospropenyl-8,9-dimethoxy-

>  <dtpname:Chemical Name>
WLN: T G5 D6 B666 CV HO MO POT&TT&J IY1&U1 SO1 TO1

>  <dtpname:9th C.I.>
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2.alpha.,6a.alpha.,12a.alpha.)]-

>  <dtpname:9th C.I.>
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2R-(2.alpha.,6a.alpha.,12a.alpha.)]-

>  <dtpname:8th C.I.>
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6a.alpha.H)-one, 1,2,12,12a.alpha.-tetrahydro-2.alpha.-isopropenyl-8,9-dimethoxy-

$$$$
31867
  CML DOM 08121414052D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -0.8214   -8.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8214  -11.7755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5762   -7.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410   -8.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2918  -10.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7876   -9.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326  -11.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9818  -12.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6410  -11.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860  -12.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9942   -9.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2932   -8.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5922   -9.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9942  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5923  -10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2932  -11.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2932  -13.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9942  -13.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9942  -15.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6951  -16.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6951  -17.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8913   -8.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384   -8.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5935   -7.3874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7792   -9.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   -9.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200  -10.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8267  -13.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  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  9  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
 11 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <NSC>
31867

>  <Release>
October 2011

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

>  <CAS>
6320-33-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H26O6

>  <Molecular Weight (nearest integer)>
398

>  <dtpname:Chemical Name>
NORLOBARIC ACID, DECARBOXY-

$$$$
36398
  CML DOM 08121414052D

 22 24  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
    0.9240    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
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  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  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  1  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 16 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <NSC>
36398

>  <Release>
October 2011

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

>  <CAS>
6270-97-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H12O7

>  <Molecular Weight (nearest integer)>
304

>  <dtpname:Chemical Name>
TAXIFOLIN

>  <dtpname:Chemical Name>
QUERCETIN, DIHYDRO-

$$$$
58368
  CML DOM 08121414052D

 48 51  0  0  0  0  0  0  0  0999 V2000
   -3.1311   18.4810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1311   16.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8320   19.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4301   16.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8320   16.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8320   20.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5330   18.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4301   14.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8320   14.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5330   21.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7661   19.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1310   13.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7661   20.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3514   19.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3872   20.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881   19.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3514   21.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8741   22.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7891   20.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3872   17.6010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4309   24.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5800   23.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4070    8.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0051    4.1010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4301   19.2310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
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  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  2  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  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
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 17 18  1  0  0  0  0
 22 23  1  0  0  0  0
 26 28  1  0  0  0  0
  1 47  1  0  0  0  0
 46 48  1  0  0  0  0
M  END
>  <NSC>
58368

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H34O7.C12H23N

>  <Molecular Weight (nearest integer)>
640

>  <dtpname:Chemical Name>
733-2052

>  <dtpname:Chemical Name>
Fugillin dicyclohexylamine salt

>  <dtpname:Chemical Name>
FUMAGILLIN DICYCLOHEXYLAMINE SALT

>  <dtpname:Chemical Name>
Fumagillin dicyclohexylamine salt

>  <dtpname:Chemical Name>
Fumagillin, compd. with dicyclohexylamine

>  <dtpname:Chemical Name>
Fumagillin, compd. with dicyclohexylamine (1:1)

>  <dtpname:Chemical Name>
2,4,6,8-Decatetraenedioic acid, 4-(1,2-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-1-oxaspiro[2.5]oct-6-yl ester, compd. with dicyclohexylamine (1:1)

$$$$
72116
  CML DOM 08121414052D

 30 34  0  0  0  0  0  0  0  0999 V2000
   -8.9463    5.0610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4098    3.6344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    6.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    4.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    5.5245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6226    1.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9216    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9463    7.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5564    8.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0482    9.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8280    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9299    7.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3198    6.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2207    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6226    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2207    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5197    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  1  2  1  0  0  0  0
 16  3  1  1  0  0  0
 19  4  1  6  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 20  1  0  0  0  0
 21  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 24  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 25  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  6  0  0  0
 25 30  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <NSC>
72116

>  <Release>
October 2011

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

>  <CAS>
84-37-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H26N2O3

>  <Molecular Weight (nearest integer)>
354

>  <dtpname:Chemical Name>
.psi.-Yohimbine

>  <dtpname:Chemical Name>
PSEUDOYOHIMBINE

>  <dtpname:Chemical Name>
Pseudoyohimbine

>  <dtpname:9th C.I.>
Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (3.beta.,16.alpha.,17.alpha.)-

>  <dtpname:8th C.I.>
3.beta.-Yohimban-16.alpha.-carboxylic acid, 17.alpha.-hydroxy-, methyl ester

$$$$
89671
  CML DOM 08121414052D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -6.7990   -4.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2009   -6.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2009   -4.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000   -3.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9019   -6.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028   -6.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028   -4.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9019   -3.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1762   -6.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7054   -5.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1763   -4.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1693   -5.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2864   -7.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9019   -2.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0981   -3.9507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2873   -2.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7990   -6.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9137   -7.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3036   -8.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8118   -8.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000   -6.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0536   -9.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 15  1  6  0  0  0
  1 17  1  0  0  0  0
  2  5  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  1  0  0  0
 17 12  1  6  0  0  0
 21 13  1  1  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  6  0  0  0
 20 21  1  0  0  0  0
M  END
>  <NSC>
89671

>  <Release>
October 2011

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

>  <CAS>
60132-23-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H24O4

>  <Molecular Weight (nearest integer)>
280

>  <dtpname:Chemical Name>
Lunatin

>  <dtpname:Chemical Name>
Cyanein

>  <dtpname:Chemical Name>
Cyanaein

>  <dtpname:Chemical Name>
Decumbin

>  <dtpname:Chemical Name>
B 174987

>  <dtpname:Chemical Name>
Ascotoxin

>  <dtpname:Chemical Name>
Nectrolide

>  <dtpname:Chemical Name>
Brefeldin A

>  <dtpname:Chemical Name>
BREFELDIN A

>  <dtpname:Chemical Name>
BREFELDIN A

>  <dtpname:Chemical Name>
Synergisidin

>  <dtpname:Chemical Name>
(+)-Brefeldin A

>  <dtpname:Chemical Name>
Antibiotic from Penicillium cyaneum

>  <dtpname:9th C.I.>
Pfizer B 174987 4H-Cyclopent[f]oxacyclotridecin-4-one, 1,6,7,8,9,11a,12,13,14,14a-decahydro-1,13-dihydroxy-6-methyl-, (1R,2E,6S,10E,11aS,13S,14aR)-

>  <dtpname:8th C.I.>
4H-Cyclopent[f]oxacyclotridecin-4-one, 1,6,7,8,9,11a.beta.,12,13,14,14a.alpha.-decahydro- 1.beta.,13.alpha.-dihydroxy-6.beta.-methyl-

$$$$
118343
  CML DOM 08121414052D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -6.7697   -6.2745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707  -10.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -8.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726   -4.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -8.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5736   -3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -4.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5736   -1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 15  2  0  0  0  0
  8 11  2  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  1  0  0  0
 10 11  1  0  0  0  0
 10 19  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <NSC>
118343

>  <Release>
October 2011

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

>  <CAS>
10088-95-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H12O5

>  <Molecular Weight (nearest integer)>
236

>  <dtpname:Chemical Name>
RADICININ

>  <dtpname:Chemical Name>
Stemphylone

>  <dtpname:Chemical Name>
2,3-Dihydro-3.alpha.-hydroxy-2.beta.-methyl-7-propenyl-4H,5H-pyrano[4,3-b]pyran-4,5-dione

>  <dtpname:Chemical Name>
WLN: T66 BVO GO JV&TJ D1U2 H1 IQ

>  <dtpname:9th C.I.>
4H,5H-Pyrano[4,3-b]pyran-4,5-dione, 2,3-dihydro-3-hydroxy-2-methyl-7-(1-propenyl)-, [2S-[2.alpha.,3.beta.,7(E)]]-

>  <dtpname:8th C.I.>
4H,5H-Pyrano[4,3-b]pyran-4,5-dione, 2,3-dihydro-3.alpha.-hydroxy-2.beta.-methyl-7-propenyl-

>  <dtpname:VAN>
Radicinin

$$$$
3053
  CML DOM 08121414052D

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 66 77  2  0  0  0  0
 67 78  2  0  0  0  0
 67 80  1  0  0  0  0
 68 85  1  0  0  0  0
 68 86  1  0  0  0  0
 69 82  1  0  0  0  0
 69 83  1  0  0  0  0
 70 79  2  0  0  0  0
 70 90  1  0  0  0  0
 71 87  1  0  0  0  0
 72 84  1  0  0  0  0
M  END
>  <NSC>
3053

>  <Release>
October 2011

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

>  <CAS>
50-76-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C62H86N12O16

>  <Molecular Weight (nearest integer)>
1255

>  <dtpname:USAN>
Dactinomycin

>  <dtpname:Brand Name>
Cosmegen

>  <dtpname:Chemical Name>
Actinomycin D

>  <dtpname:Chemical Name>
Antibiotic from Streptomyces parvullus

>  <dtpname:Chemical Name>
Oncostatin K

>  <dtpname:Chemical Name>
Actinomycin 7

>  <dtpname:Chemical Name>
Meractinomycin

>  <dtpname:Chemical Name>
Actinomycin IV

>  <dtpname:Chemical Name>
Dactinomycin D

>  <dtpname:Chemical Name>
Lyovac cosmegen

>  <dtpname:Chemical Name>
Actinomycin AIV

>  <dtpname:Chemical Name>
Actinomycin X 1

>  <dtpname:Chemical Name>
Actinomycin I(sub1)

>  <dtpname:Chemical Name>
Actactinomycin A IV

>  <dtpname:Chemical Name>
Actinomycin C(sub1)

>  <dtpname:Chemical Name>
Actinomycin I (sub1)

>  <dtpname:Chemical Name>
Actinomycin C (sub1)

>  <dtpname:Chemical Name>
Dilactone actinomycin D acid

>  <dtpname:Chemical Name>
Dilactone actinomycindioic D acid

>  <dtpname:Chemical Name>
Actinomycindioic D acid, dilactone

>  <dtpname:Chemical Name>
Actinomycin-[threo-val-pro-sar-meval]

>  <dtpname:Chemical Name>
3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis[hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4,6-dimethyl-3-oxo-

>  <dtpname:Chemical Name>
Specific stereoisomer of N,N'-[(2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis[carbonylimino(2-hydroxypropylidene)carbonyliminoisobutylidenecarbonyl-1,2-pyrrolidinediylcarbonyl(methylimino)methylenecarbonyl]]bis[N-methyl-L-valine] dilactone

>  <dtpname:Chemical Name>
L-Valine, N,N'-[(2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-diyl)bis[carbonylimino[2-(1-hydroxyethyl)-1-oxo-2,1-ethanediyl]imino[2-(1-methylethyl)-1-oxo-2,1-ethanediyl]-1,2-pyrrolidinediylcarbonyl(methylimino)(1-oxo-2,1-ethanediyl)]]bis[N-methyl-, di-.xi.-lactone

>  <dtpname:Chemical Name>
X 97

>  <dtpname:Chemical Name>
ACTO-D

>  <dtpname:Chemical Name>
HBF 386

>  <dtpname:Chemical Name>
C1

>  <dtpname:Chemical Name>
NSC-3053

>  <dtpname:Chemical Name>
NCI-C04682

>  <dtpname:Chemical Name>
ACTINOMYCIN D

>  <dtpname:Chemical Name>
WLN: 16- AN FVN IVN LVO PVM SVTJ G1 J1 KY1&1 N1 RY1&1

>  <dtpname:Chemical Name>
WLN: TC666 BO EV INJ D1 FZ N1 GVM- OT5-16- AN FVN IVN LVO PVM SVTJ G1 J1 KY1&1 N1 RY1&1& KVM- OT5-

>  <dtpname:9th C.I.>
Actinomycin D

>  <dtpname:8th C.I.>
Actinomycin D

>  <dtpname:VAN>
AD

$$$$
8519
  CML DOM 08121414052D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -7.5354   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5354   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2117   -3.2865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9373   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2363   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6382   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6382   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2363   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2117   -5.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3300   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9373   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5354   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8344   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8344   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1334   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9373   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2363   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9373   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2363   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 11 18  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
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <NSC>
8519

>  <Release>
October 2011

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

>  <CAS>
82-02-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H12O5

>  <Molecular Weight (nearest integer)>
260

>  <dtpname:Chemical Name>
Khell

>  <dtpname:Chemical Name>
Eskel

>  <dtpname:Chemical Name>
Keloid

>  <dtpname:Chemical Name>
Kellin

>  <dtpname:Chemical Name>
Norkel

>  <dtpname:Chemical Name>
Kelicor

>  <dtpname:Chemical Name>
Kelamin

>  <dtpname:Chemical Name>
Amiptan

>  <dtpname:Chemical Name>
KHELLIN

>  <dtpname:Chemical Name>
Kellina

>  <dtpname:Chemical Name>
Ammivin

>  <dtpname:Chemical Name>
Coronin

>  <dtpname:Chemical Name>
Chellin

>  <dtpname:Chemical Name>
Khellin

>  <dtpname:Chemical Name>
Khelisem

>  <dtpname:Chemical Name>
Khelloyd

>  <dtpname:Chemical Name>
Visammin

>  <dtpname:Chemical Name>
Rykellin

>  <dtpname:Chemical Name>
Visnagen

>  <dtpname:Chemical Name>
Mefurina

>  <dtpname:Chemical Name>
Vismagen

>  <dtpname:Chemical Name>
Euphorin

>  <dtpname:Chemical Name>
Lynamine

>  <dtpname:Chemical Name>
Kalangin

>  <dtpname:Chemical Name>
Kelincor

>  <dtpname:Chemical Name>
Kellosal

>  <dtpname:Chemical Name>
Kelourin

>  <dtpname:Chemical Name>
Khelfren

>  <dtpname:Chemical Name>
Viscardin

>  <dtpname:Chemical Name>
Amikellin

>  <dtpname:Chemical Name>
Viscardan

>  <dtpname:Chemical Name>
Kelicorin

>  <dtpname:Chemical Name>
Khelangin

>  <dtpname:Chemical Name>
Deltoside

>  <dtpname:Chemical Name>
Ammipuran

>  <dtpname:Chemical Name>
Visammimix

>  <dtpname:Chemical Name>
Corafurone

>  <dtpname:Chemical Name>
Methafrone

>  <dtpname:Chemical Name>
Khellinorm

>  <dtpname:Chemical Name>
Visnagalin

>  <dtpname:Chemical Name>
Khellanals

>  <dtpname:Chemical Name>
Amicardine

>  <dtpname:Chemical Name>
Bi-Kellina

>  <dtpname:Chemical Name>
Khellamine

>  <dtpname:Chemical Name>
Medekellin

>  <dtpname:Chemical Name>
Benecardin

>  <dtpname:Chemical Name>
Vasokellina

>  <dtpname:Chemical Name>
Ammicardine

>  <dtpname:Chemical Name>
Ammispasmin

>  <dtpname:Chemical Name>
Chorafurone

>  <dtpname:Chemical Name>
Gynokhellan

>  <dtpname:Chemical Name>
Interkellin

>  <dtpname:Chemical Name>
Simeskellina

>  <dtpname:Chemical Name>
Ammivisnagen

>  <dtpname:Chemical Name>
Ammi-khellin

>  <dtpname:Chemical Name>
Interkhellin

>  <dtpname:Chemical Name>
Cardio-khellin

>  <dtpname:Chemical Name>
Cardio-Khellin

>  <dtpname:Chemical Name>
5,8-Dimethoxy-2-methyl-6,7-furanochromone

>  <dtpname:Chemical Name>
5,8-Dimethoxy-2-methyl-4',5'-furo-6,7-chromone

>  <dtpname:Chemical Name>
5,8-Dimethoxy-2-methyl-4',5'-furano-6,7-chromone

>  <dtpname:Chemical Name>
4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g][1]benzopyran

>  <dtpname:Chemical Name>
4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g]-1,2-chromene

>  <dtpname:Chemical Name>
4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz-[f]indene

>  <dtpname:Chemical Name>
4,9-Dimethoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one

>  <dtpname:Chemical Name>
WLN: T C566 DO JV MOJ BO1 HO1 L1

>  <dtpname:9th C.I.>
5H-Furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-methyl-

>  <dtpname:8th C.I.>
5H-Furo[3,2-g][1]benzopyran-5-one, 4,9-dimethoxy-7-methyl-

$$$$
14975
  CML DOM 08121414052D

 39 43  0  0  0  0  0  0  0  0999 V2000
    4.6471    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0463    5.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7963    4.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9222    7.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    6.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4904    6.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25  1  1  6  0  0  0
 16  2  1  6  0  0  0
 24  3  1  1  0  0  0
 13  4  1  0  0  0  0
  4 18  1  0  0  0  0
 15  5  1  1  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
 19  8  1  1  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 36  1  1  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  6  0  0  0
 13 16  1  0  0  0  0
 13 32  1  6  0  0  0
 14 15  1  0  0  0  0
 14 35  1  6  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  1  0  0  0
 17 24  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 20 33  1  1  0  0  0
 21 22  1  0  0  0  0
 21 30  1  1  0  0  0
 22 26  1  0  0  0  0
 22 29  1  6  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 31  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <NSC>
14975

>  <Release>
October 2011

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

>  <CAS>
1448-23-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H36O10

>  <Molecular Weight (nearest integer)>
497

>  <dtpname:Chemical Name>
MK-53

>  <dtpname:Chemical Name>
Glaumeba

>  <dtpname:Chemical Name>
Glarubin

>  <dtpname:Chemical Name>
Glaucarubin

>  <dtpname:Chemical Name>
GLAUCARUBINE

>  <dtpname:Chemical Name>
Simarubaceae

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

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

>  <dtpname:Chemical Name>
WLN: T C66665/BQ 3AAB S AX KOV RO FUTJ C1 DQ EQ G1 MOVXQ2&1 O1 PQ QQ

>  <dtpname:9th C.I.>
Picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-15-(2-hydroxy-2-methyl-1-oxobutoxy)-, [1.beta.,2.alpha.,11.beta.,12.alpha.,15.beta.(S)]-

>  <dtpname:8th C.I.>
Butyric acid, 2-hydroxy-2-methyl-, 4-ester with 1,2,3,3a.beta.,4,6a.beta.,7,7a.alpha.,10,11,11a,11b.alpha.-dodecahydro-1.alpha.,2.alpha.,4.beta.,10.alpha.,11.beta.-pentahydroxy-3.alpha.,8,11a.beta.-trimethyl-5H-1,11c.beta.-(epoxymethano)phenanthro[10,1-bc]pyran-5-one

$$$$
26271
  CML DOM 08121414052D

 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

$$$$
32192
  CML DOM 08121414052D

 29 34  0  0  0  0  0  0  0  0999 V2000
    0.3861    2.2354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8126    0.2719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2880    4.3558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3360    4.5564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6448    1.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5999    1.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1440   -0.8532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4640    1.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7780   -0.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7023    3.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2469    3.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1158    2.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8334    5.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3780    5.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0738    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2049    2.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6183    1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7494    3.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2880    2.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7962    3.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9145    4.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    4.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1861    1.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8126    2.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6943    1.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3008    0.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2552   -0.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3861    0.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8805    4.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  1 28  1  0  0  0  0
  2 25  1  0  0  0  0
  2 28  1  0  0  0  0
 19  3  1  1  0  0  0
  4 14  1  0  0  0  0
  4 18  1  0  0  0  0
  4 29  1  0  0  0  0
 18  5  1  6  0  0  0
  6 19  1  0  0  0  0
  6 26  1  0  0  0  0
  7 26  2  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  9 15  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <NSC>
32192

>  <Release>
October 2011

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

>  <CAS>
485-49-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H17NO6

>  <Molecular Weight (nearest integer)>
367

>  <dtpname:Chemical Name>
BIC

>  <dtpname:Chemical Name>
Bicculine

>  <dtpname:Chemical Name>
BICUCULLINE

>  <dtpname:Chemical Name>
d-Bicuculline

>  <dtpname:Chemical Name>
(+)-Bicuculline

>  <dtpname:Chemical Name>
WLN: T C566 DO FO KN EH&&TJ K1 J- ET B565 CVO JO LO EH KHJ

>  <dtpname:9th C.I.>
Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [R-(R*,S*)]-

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

$$$$
42038
  CML DOM 08121414052D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.0878    5.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759    8.5047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7390    7.9678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   10.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2025    8.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0842    7.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2025    6.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759    7.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6612    6.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2346    6.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8801    5.4609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5144    5.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9731    4.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5682    3.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3996    4.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    3.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3067    5.9244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4214    4.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0773    7.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849    3.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5842    7.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  7  3  1  1  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  1  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 15  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  1  6  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
42038

>  <Release>
October 2011

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

>  <CAS>
1618-82-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H19NO3

>  <Molecular Weight (nearest integer)>
261

>  <dtpname:Chemical Name>
SANTONINE, OXIME

>  <dtpname:9th C.I.>
Naphtho[1,2-b]furan-2,8(3H,9bH)-dione, 3a,4,5,5a-tetrahydro-3,5a,9-trimethyl-, 8-oxime, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-

>  <dtpname:8th C.I.>
Eudesma-1,4-dien-12-oic acid, 6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, oxime, (11S)-

$$$$
60387
  CML DOM 08121414052D

 30 34  0  0  0  0  0  0  0  0999 V2000
  -10.7028   -4.5082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5460   -7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3499   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6489   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0508   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0508   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6489   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3499   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9479   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2470   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5460   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9726   -5.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8543   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3499   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9479   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9726   -7.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6489   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0508   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2470   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0508   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6489   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3499  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3499   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6489   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4528   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4527   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518  -10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4527   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 17  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 20 22  1  0  0  0  0
 20 29  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <NSC>
60387

>  <Release>
October 2011

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

>  <CAS>
6879-02-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H27NO4

>  <Molecular Weight (nearest integer)>
393

>  <dtpname:Chemical Name>
NSC-60387

>  <dtpname:Chemical Name>
Tylocrebrin

>  <dtpname:Chemical Name>
Lylocrebrine

>  <dtpname:Chemical Name>
TYLOCREBRINE

>  <dtpname:Chemical Name>
Tylocerebrine

>  <dtpname:Chemical Name>
Dibenzo[f,h]pyrrolo[1,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-

>  <dtpname:Chemical Name>
Dibenzo[f,h]pyrrolo[1,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-

>  <dtpname:Chemical Name>
Dibenzo[f,h]pyrrolo[1,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-

>  <dtpname:Chemical Name>
Dibenzo[f,h]pyrrolo[1,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (+)-

>  <dtpname:Chemical Name>
Dibenzo[f,h]pyrrolo[1,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (+)-

>  <dtpname:Chemical Name>
WLN: T D5 B6 K666 DNJ MO1 NO1 RO1 SO1

>  <dtpname:9th C.I.>
Dibenzo[f,h]pyrrolo[1,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (R)-

>  <dtpname:9th C.I.>
Dibenzo[f,h]pyrrolo[1,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,5,6-tetramethoxy-, (R)-

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

$$$$
76022
  CML DOM 08121414052D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.8996  -11.0223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6006   -8.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3015  -17.0223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9975  -14.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9975  -10.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966  -11.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3015  -11.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6006  -10.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2966  -12.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3015  -12.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9975  -13.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6006  -13.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8996  -12.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986  -13.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4977  -12.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7967  -13.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  2  0  0  0  0
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  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 30  1  0  0  0  0
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 14 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
76022

>  <Release>
October 2011

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

>  <CAS>
74578-01-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H19NO6.C2H4O2

>  <Molecular Weight (nearest integer)>
429

>  <dtpname:Chemical Name>
THASPINE, ACETATE

>  <dtpname:Chemical Name>
Thaspine, acetate

$$$$
94600
  CML DOM 08121414052D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 11 24  1  1  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
94600

>  <Release>
October 2011

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

>  <CAS>
7689-03-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H16N2O4

>  <Molecular Weight (nearest integer)>
348

>  <dtpname:Chemical Name>
NSC 100880

>  <dtpname:Chemical Name>
CAMPTOTHECIN

>  <dtpname:Chemical Name>
CAMPTOTHECIN

>  <dtpname:Chemical Name>
CAMPTOTHECIN

>  <dtpname:Chemical Name>
Camptothecin

>  <dtpname:Chemical Name>
20(S)-Camptothecine

>  <dtpname:Chemical Name>
21,22-Secocamptothecin-21-oic acid lactone

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

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

$$$$
122023
  CML DOM 08121414052D

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 40 82  1  0  0  0  0
 58 83  1  0  0  0  0
 68 84  1  0  0  0  0
M  END
>  <NSC>
122023

>  <Release>
October 2011

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

>  <CAS>
2001-95-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C54H90N6O18

>  <Molecular Weight (nearest integer)>
1111

>  <dtpname:Chemical Name>
VALINOMYCIN

>  <dtpname:Chemical Name>
VALINOMYCIN

>  <dtpname:Chemical Name>
VALINOMYCIN

>  <dtpname:Chemical Name>
Valinomicin

>  <dtpname:Chemical Name>
1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone, 12,24,36-trimethyl-3,6,9,15,18,21,27,30,33-nonakis(1-methylethyl)-

>  <dtpname:Chemical Name>
WLN: T-36-MV DOV GMV JOV MMV POV SMV VOV B&MV E&OV H&MV K&OVTJ CY1&1 FY1&1I1 LY1&1 OY1&1 RY1&1 U1 A&Y1&1 D&Y1&1 G&Y1&1 J&1 M&Y1&1

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

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

$$$$
5113
  CML DOM 08121414052D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.9240    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7182   11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7182    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173    9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    7.3995    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    7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8880    3.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316    2.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1921    0.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0431   -0.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6017    0.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   11.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    4.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163    8.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  7 29  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 31  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 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 26  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <NSC>
5113

>  <Release>
October 2011

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

>  <CAS>
572-03-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H24O6

>  <Molecular Weight (nearest integer)>
420

>  <dtpname:Chemical Name>
POMIFERIN

$$$$
9665
  CML DOM 08121414052D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0245    6.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0508    4.5141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3842    8.2493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973    5.3398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973    6.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    7.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755    6.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210    7.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    2.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3745    7.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875    8.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3647    8.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8777   10.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  8  1  1  1  0  0  0
  7  2  1  6  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  6  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  6  0  0  0
 11 12  1  0  0  0  0
 12 14  1  6  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
9665

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H26O4

>  <Molecular Weight (nearest integer)>
282

>  <dtpname:Chemical Name>
Gelcohol

>  <dtpname:Chemical Name>
Alcohol-I from Fumagillin

>  <dtpname:Chemical Name>
Alcohol-I from fumagillin

>  <dtpname:Chemical Name>
Alcohol-I from funagillin

>  <dtpname:Chemical Name>
FUMAGILLIN, ALCOHOL I ORIGIN

>  <dtpname:Chemical Name>
1-Oxaspiro[2.5]octan-6-ol, 4-(2,3-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-

$$$$
15780
  CML DOM 08121414052D

 33 35  0  0  0  0  0  0  0  0999 V2000
  -10.4772    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4772   -1.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5000   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4642   -4.4972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9870   -4.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2272    2.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7272    2.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4772    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7272    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2272    0.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2500   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7500   -4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4772    4.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2272    5.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4772    4.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9772    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4772   -1.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5000   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5000   -3.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0000   -5.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5098   -5.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -6.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5195   -6.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447   -5.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0684   -4.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5456   -3.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9511   -5.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9153   -7.0558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
  2 24  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  6  5  1  1  0  0  0
  6 26  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 18 19  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <NSC>
15780

>  <Release>
October 2011

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

>  <CAS>
29883-15-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H27NO11

>  <Molecular Weight (nearest integer)>
457

>  <dtpname:Chemical Name>
AMYGDALIN

>  <dtpname:Chemical Name>
AMYGDALIN

>  <dtpname:Chemical Name>
D-Amygdalin

>  <dtpname:Chemical Name>
Amygdaloside

>  <dtpname:Chemical Name>
(R)-Amygdalin

>  <dtpname:Chemical Name>
Mandelonitrile-.beta.-gentiobioside

>  <dtpname:Chemical Name>
D(-)-Mandelonitrile-.beta.-D-gentiobioside

>  <dtpname:Chemical Name>
Benzeneacetonitrile, .alpha.-((6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy)-, (R)-

>  <dtpname:9th C.I.>
Benzeneacetonitrile, .alpha.-[(6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy]-, (R)-

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

$$$$
26326
  CML DOM 08121414052D

 18 20  0  0  0  0  0  0  0  0999 V2000
    5.9123    0.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142    0.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2113   -0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6133   -0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0152   -0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2113   -1.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6133   -1.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0152   -1.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104   -2.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9123   -2.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142   -2.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104   -4.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2113   -4.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9123    1.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9123   -4.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    0.2596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4613   -6.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104   -5.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  3 16  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <NSC>
26326

>  <Release>
October 2011

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

>  <CAS>
4707-32-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H14O3

>  <Molecular Weight (nearest integer)>
242

>  <dtpname:Chemical Name>
LAPACHONE, BETA

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

>  <dtpname:9th C.I.>
2H-Naphtho[1,2-b]pyran-5,6-dione, 3,4-dihydro-2,2-dimethyl-

>  <dtpname:8th C.I.>
2H-Naphtho[1,2-b]pyran-5,6-dione, 3,4-dihydro-2,2-dimethyl-

$$$$
32979
  CML DOM 08121414052D

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.3493    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0502    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0502    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4522    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9474    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7512    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1531    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9474    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7512    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1531    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0502    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4522    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8541    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7512    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7512    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4522    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3  5  2  0  0  0  0
  4  8  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 17  1  0  0  0  0
 10 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 20  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 16  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <NSC>
32979

>  <Release>
October 2011

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

>  <CAS>
475-67-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H23NO4

>  <Molecular Weight (nearest integer)>
341

>  <dtpname:Chemical Name>
Luteanin

>  <dtpname:Chemical Name>
Izokoridin

>  <dtpname:Chemical Name>
Artabotrin

>  <dtpname:Chemical Name>
Artabotrine

>  <dtpname:Chemical Name>
Isocorydine

>  <dtpname:Chemical Name>
ISOCORYDINE

>  <dtpname:Chemical Name>
d-Isocorydine

>  <dtpname:Chemical Name>
S-(+)-Isocorydine

>  <dtpname:Chemical Name>
L-(+)-Isocorydine

>  <dtpname:Chemical Name>
(+)-(S)-Isocorydine

>  <dtpname:Chemical Name>
Luteanine (aporphine)

>  <dtpname:Chemical Name>
Lindcarpine, N,O-dimethyl-

>  <dtpname:Chemical Name>
Lindcarpine, N,O-dimethyl-*

>  <dtpname:Chemical Name>
Aporphin-11-ol, 1,2,10-trimethoxy-

>  <dtpname:9th C.I.>
4H-Dibenzo[de,g]quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S)-

>  <dtpname:8th C.I.>
6a.alpha.-Aporphin-11-ol, 1,2,10-trimethoxy-

>  <dtpname:VAN>
Luteanine

$$$$
45383
  CML DOM 08121414052D

 37 40  0  0  0  0  0  0  0  0999 V2000
    4.8211    6.6495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   10.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   10.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202   13.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   13.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0173   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4192    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   11.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731   12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    8.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    6.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2231    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8211    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5221   10.3995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   14.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   13.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3163   14.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  1 15  1  0  0  0  0
  2 16  2  0  0  0  0
  2  7  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 35  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 17 23  1  0  0  0  0
 17 30  1  0  0  0  0
 18 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 29  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 31  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <NSC>
45383

>  <Release>
October 2011

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

>  <CAS>
3930-19-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H22N4O8

>  <Molecular Weight (nearest integer)>
506

>  <dtpname:USAN>
Streptonigrin

>  <dtpname:Chemical Name>
STP

>  <dtpname:Chemical Name>
Nigrin

>  <dtpname:Chemical Name>
NSC 45383

>  <dtpname:Chemical Name>
NSC-45383

>  <dtpname:Chemical Name>
5278 R. P.

>  <dtpname:Chemical Name>
AO50165L302

>  <dtpname:Chemical Name>
Bruneomycin

>  <dtpname:Chemical Name>
A 050165L302

>  <dtpname:Chemical Name>
STREPTONIGRIN

>  <dtpname:Chemical Name>
STREPTONIGRIN

>  <dtpname:Chemical Name>
Streptonigran

>  <dtpname:Chemical Name>
STREPTONIGRIN

>  <dtpname:Chemical Name>
Rufocromomycin

>  <dtpname:Chemical Name>
Rufochromomycin

>  <dtpname:Chemical Name>
Abbott Crystalline antibiotic

>  <dtpname:Chemical Name>
Antibiotic from Streptomyces flocculus

>  <dtpname:Chemical Name>
5-Amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acid

>  <dtpname:Chemical Name>
Picolinic acid, 5-amino-6-(6-amino-5,8-dihydro-7-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:Chemical Name>
WLN: T66 BV EV GNJ CO1 DZ H- BT6NJ CZ DR BQ CO1 DO1& E1 FVQ

>  <dtpname:9th C.I.>
2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:8th C.I.>
Picolinic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-

>  <dtpname:VAN>
SN

$$$$
62709
  CML DOM 08121414052D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -4.1716  -13.7745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726  -10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883   -6.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5864   -5.5573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0782   -5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5735  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4706  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697  -13.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678   -9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678  -12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668  -10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4706  -14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6668  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9658   -9.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9658   -7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9658  -12.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2649  -11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3678  -13.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0687  -14.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4706  -10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707  -16.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7697  -16.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1716  -16.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236  -10.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -7.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5047   -4.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7663   -3.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  2  0  0  0  0
  1 16  1  0  0  0  0
  2 17  2  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  3  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  2  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 18 24  1  0  0  0  0
 18 31  1  0  0  0  0
 19 22  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 30  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 33  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
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <NSC>
62709

>  <Release>
October 2011

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

>  <CAS>
15964-31-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H27N5O7

>  <Molecular Weight (nearest integer)>
546

>  <dtpname:Chemical Name>
IPAS

>  <dtpname:Chemical Name>
NSC-62709

>  <dtpname:Chemical Name>
Imidazoquinoline

>  <dtpname:Chemical Name>
THOS Streptonigrin

>  <dtpname:Chemical Name>
Streptonigrin tetrahydrooxime

>  <dtpname:Chemical Name>
Isopropylideneazastreptonigrin

>  <dtpname:Chemical Name>
Isopropylidine azastreptonigrin

>  <dtpname:Chemical Name>
STREPTONIGRIN-AZA, ISOPROPYLIDENE

>  <dtpname:Chemical Name>
Azastreptonigrin, isopropylidene-

>  <dtpname:Chemical Name>
Streptonigrin, tetrahydro-, pseudooxime

>  <dtpname:Chemical Name>
Picolinic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-

>  <dtpname:Chemical Name>
Picolinic acid, 5-amino-4-(2,3-dihydro-3,4-dimethoxy-2-hydroxyphenyl)-6-(2,2-dimethyl-4-methoxy-5-oxo-5H-imidazo[4,5-h]quinolin-8-yl)-3-methyl-

>  <dtpname:9th C.I.>
2-Pyridinecarboxylic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-3-methyl-

>  <dtpname:8th C.I.>
Picolinic acid, 5-amino-4-(2-hydroxy-3,4-dimethoxyphenyl)-6-(5-hydroxy-4-methoxy-2,2-dimethyl-2H-imidazo[4,5-h]quinolin-8-yl)-3-methyl-

$$$$
82151
  CML DOM 08121414052D

 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
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   -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
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   -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

$$$$
96911
  CML DOM 08121414052D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -5.9462   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5442   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  5 18  2  0  0  0  0
  6 15  1  0  0  0  0
  6 18  1  0  0  0  0
  6  7  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
96911

>  <Release>
October 2011

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

>  <CAS>
1086-80-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H10N4O2

>  <Molecular Weight (nearest integer)>
242

>  <dtpname:Chemical Name>
Lumichrome

>  <dtpname:Chemical Name>
Riboflavin lumichrome

>  <dtpname:Chemical Name>
7,8-Dimethylalloxazine

>  <dtpname:9th C.I.>
Benzo[g]pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-

>  <dtpname:8th C.I.>
Alloxazine, 7,8-dimethyl-

$$$$
122224
  CML DOM 08121414052D

 48 48  0  0  0  0  0  0  0  0999 V2000
    0.1836    4.6264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2442    8.4588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3905    9.0614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2168   11.4414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2780    9.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300    9.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159    8.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9290    9.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4162    9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7296   11.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8165   10.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702    7.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443    5.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7908   10.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8777    8.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4774    7.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5899    7.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159    5.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8298    7.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5797    5.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0766    4.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9565    5.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4200    4.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4517    7.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5386    6.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9389    7.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1556   13.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7553   12.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   14.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300   12.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3 16  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
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  6 16  2  0  0  0  0
  7 28  2  0  0  0  0
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 14 48  1  0  0  0  0
 15 24  2  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
 18 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 30  1  0  0  0  0
 24 25  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 38  1  0  0  0  0
 28 29  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
M  END
>  <NSC>
122224

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C33H58N4O8

>  <Molecular Weight (nearest integer)>
639

>  <dtpname:Chemical Name>
SPORIDESMOLIDE I

>  <dtpname:Chemical Name>
Sporidesmolide I

$$$$
5159
  CML DOM 08121414052D

 51 57  0  0  0  0  0  0  0  0999 V2000
   -7.4297  -11.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1526   -0.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4408   -6.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2230  -11.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9802   -2.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8320  -11.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3834   -8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1647   -7.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1757   -2.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1535   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4862   -2.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1767   -8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5094   -4.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5789   -8.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8894   -9.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2221   -5.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5557   -7.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9116   -4.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183   -4.4678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7735   -2.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4872   -9.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8199   -5.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2916   -9.5767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6939   -9.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -6.7376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1878   -8.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3602   -7.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8430   -6.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8884   -2.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9126  -11.0364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6243   -5.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2453   -6.5770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0951   -2.9680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7503   -0.5376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7745   -8.7264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1072   -4.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3148  -11.0765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 19  1  0  0  0  0
 12 16  2  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 41  1  0  0  0  0
 21 38  2  0  0  0  0
 21 41  1  0  0  0  0
 22 39  2  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 24 26  1  0  0  0  0
 24 42  1  0  0  0  0
 25 27  1  0  0  0  0
 25 34  1  0  0  0  0
 26 29  1  0  0  0  0
 26 35  1  0  0  0  0
 27 30  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28 37  1  0  0  0  0
 29 44  1  0  0  0  0
 30 32  1  0  0  0  0
 30 46  1  0  0  0  0
 31 42  1  0  0  0  0
 31 46  1  0  0  0  0
 32 43  1  0  0  0  0
 32 45  1  0  0  0  0
 33 47  1  0  0  0  0
 34 48  1  0  0  0  0
 35 49  1  0  0  0  0
 36 50  1  0  0  0  0
 37 51  1  0  0  0  0
M  END
>  <NSC>
5159

>  <Release>
October 2011

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

>  <CAS>
6377-18-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H32O14

>  <Molecular Weight (nearest integer)>
641

>  <dtpname:Chemical Name>
U-7257

>  <dtpname:Chemical Name>
X 465A

>  <dtpname:Chemical Name>
NSC 5159

>  <dtpname:Chemical Name>
Lambdamycin

>  <dtpname:Chemical Name>
CHARTREUSIN

>  <dtpname:Chemical Name>
Antibiotic X-465A

>  <dtpname:Chemical Name>
Chartreusin, dihydrate

>  <dtpname:Chemical Name>
WLN: T B66 K666 2AB T HVO SVOJ F1 QQ LO- BT6OTJ DQ EQ F1 CO- BT6OTJ CQ DO1 EQ F1

>  <dtpname:Chemical Name>
WLN: T B66 K666 2AB T HVO SVOJ F1 QQ LO- BT6OTJ DQ EQ F1 CO- BT6OTJ CQ DO1 EQ F1

>  <dtpname:Chemical Name>
WLN: T B66 K666 2AB T HVO SVOJ F1 QQ LO- BT6OTJ DQ EQ F1 CO- BT6OTJ CQ DO1 EQ F1 &QH 2

>  <dtpname:Chemical Name>
WLN: T B66 K666 2AB T HVO SVOJ F1 QQ LO- BT6OTJ DQ EQ F1 CO- BT6OTJ CQ DO1 EQ F1 &QH 2

>  <dtpname:9th C.I.>
Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 10-[[6-deoxy-2-O-(6-deoxy-3-O-methyl-.alpha.-D-galactopyranosyl)-.beta.-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl-

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

$$$$
11440
  CML DOM 08121414052D

 27 30  0  0  0  0  0  0  0  0999 V2000
  -14.2961    1.3727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8695    3.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5124    1.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0556   -3.5154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8821   -1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3087   -3.8289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9188   -0.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4106    0.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3087   -1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1903   -2.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2922   -1.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6821   -2.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7840   -0.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3941    0.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8859    0.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4960    1.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9878    2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5638   -3.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7676   -0.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8695    0.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2594   -0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1575   -1.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6657   -2.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8821   -3.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2961    2.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9510   -5.9767    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.9372   -4.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 25  1  0  0  0  0
  2 17  1  0  0  0  0
  2 25  1  0  0  0  0
  3 14  2  0  0  0  0
  4 18  1  0  0  0  0
  4 23  1  0  0  0  0
  4 27  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
11440

>  <Release>
October 2011

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

>  <CAS>
6164-47-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H19NO5.ClH

>  <Molecular Weight (nearest integer)>
390

>  <dtpname:Chemical Name>
PROTOPINE

>  <dtpname:Chemical Name>
ARGEMONINE

>  <dtpname:Chemical Name>
ARGEMONINE (PROTOPINE

>  <dtpname:Chemical Name>
Protopine hydrochloride

>  <dtpname:9th C.I.>
Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-13(5H)-one, 4,6,7,14-tetrahydro-5-methyl-, hydrochloride

>  <dtpname:8th C.I.>
7,13a-Secoberbin-13a-one, 7-methyl-2,3:9,10-bis(methylenedioxy)-, hydrochloride

$$$$
22070
  CML DOM 08121414052D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9192    4.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692    6.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1299    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1299    5.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4682    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1299    8.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7672    6.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692    9.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663    6.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    4.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4682    8.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663    8.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1810    5.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    4.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4682    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7672    9.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3653    9.1131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6482    6.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3209    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3653   10.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6644   11.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663   11.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  3  4  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
22070

>  <Release>
October 2011

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

>  <CAS>
28272-18-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H22O5

>  <Molecular Weight (nearest integer)>
306

>  <dtpname:Chemical Name>
Chrysanthin

>  <dtpname:Chemical Name>
PYRETHROSIN

>  <dtpname:Chemical Name>
Pyrethrosin

>  <dtpname:Chemical Name>
Germacra-4,11(13)-dien-12-oic acid, 1.beta.,10-epoxy-6.alpha.,8.alpha.-dihydroxy-, 12,8-lactone, acetate, (E)-

>  <dtpname:9th C.I.>
Oxireno[8,9]cyclodeca[1,2-b]furan-8(2H)-one, 6-(acetyloxy)-1a,3,6,6a,7,9a,10,10a-octahydro-4,10a-dimethyl-7-methylene-, [1aR-(1aR*,4E,6R*,6aR*,9aS*,10aR*)]-

>  <dtpname:8th C.I.>
Germacra-4,11(13)-dien-12-oic acid, 1.alpha.,10.alpha.-epoxy-6,8.beta.-dihydroxy-, 12,8-lactone, acetate

$$$$
29854
  CML DOM 08121414052D

 47 52  0  0  0  0  0  0  0  0999 V2000
   13.2649   10.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8721   14.8565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8758   13.7418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7410   14.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511   13.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2493   15.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3676   13.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4695   12.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9777   12.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8630   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2649   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9658   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   11.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8630   10.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9658    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    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
    1.5735    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    4.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    3.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    3.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    7.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4706   11.5245    0.0000 O   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
    6.7697   12.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   13.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   16.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   14.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678   13.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   14.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6227   16.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0126   17.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 16 19  1  0  0  0  0
 16 40  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 33  1  0  0  0  0
 24 27  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 28  1  0  0  0  0
 26 35  1  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 40 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <NSC>
29854

>  <Release>
October 2011

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

>  <CAS>
6335-49-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C35H44N2O9

>  <Molecular Weight (nearest integer)>
637

>  <dtpname:Chemical Name>
ISORESCINNAMINE, DIHYDRO-

>  <dtpname:Chemical Name>
Isorescinnamine, dihydro-

$$$$
32982
  CML DOM 08121414052D

 27 28  0  0  0  0  0  0  0  0999 V2000
  -18.9365   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9365   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3385   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6375   -2.2500    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
  -20.2356   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5346   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2356   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7404   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1423   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4413   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5442   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8433   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2452   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9462   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <NSC>
32982

>  <Release>
October 2011

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

>  <CAS>
458-37-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H20O6

>  <Molecular Weight (nearest integer)>
368

>  <dtpname:Chemical Name>
Haidr

>  <dtpname:Chemical Name>
Halud

>  <dtpname:Chemical Name>
Halad

>  <dtpname:Chemical Name>
Yo-Kin

>  <dtpname:Chemical Name>
Haldar

>  <dtpname:Chemical Name>
Souchet

>  <dtpname:Chemical Name>
Curcuma

>  <dtpname:Chemical Name>
CURCUMIN

>  <dtpname:Chemical Name>
Gelbwurz

>  <dtpname:Chemical Name>
Curcumin

>  <dtpname:Chemical Name>
Turmeric

>  <dtpname:Chemical Name>
C.I. 75300

>  <dtpname:Chemical Name>
Yellow Root

>  <dtpname:Chemical Name>
Kacha Haldi

>  <dtpname:Chemical Name>
Terra Merita

>  <dtpname:Chemical Name>
Merita Earth

>  <dtpname:Chemical Name>
Safran d'Inde

>  <dtpname:Chemical Name>
Yellow Ginger

>  <dtpname:Chemical Name>
Indian Saffron

>  <dtpname:Chemical Name>
Tumeric yellow

>  <dtpname:Chemical Name>
Turmeric yellow

>  <dtpname:Chemical Name>
Diferuloylmethane

>  <dtpname:Chemical Name>
C.I. Natural Yellow 3

>  <dtpname:Chemical Name>
WLN: 1OR BQ E1U1V1V1U1R DQ CO1

>  <dtpname:9th C.I.>
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-

>  <dtpname:8th C.I.>
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-

$$$$
45923
  CML DOM 08121414052D

 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

$$$$
63701
  CML DOM 08121414052D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.5264   -0.2564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4572   -1.9948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3790   -3.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609   -0.8801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5301    0.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9973    0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2109    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4244    0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4609   -0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9900   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8426   -2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3426   -2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8061   -3.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926   -4.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8916   -6.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666    2.2849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2327   -3.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926   -5.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2242   -0.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2109    2.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2109    4.4282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  2  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  1  0  0  0  0
 20 21  3  0  0  0  0
M  END
>  <NSC>
63701

>  <Release>
October 2011

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

>  <CAS>
606-58-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C12H13N5O4

>  <Molecular Weight (nearest integer)>
291

>  <dtpname:Chemical Name>
B181008

>  <dtpname:Chemical Name>
Vengicide

>  <dtpname:Chemical Name>
Unamycin B

>  <dtpname:Chemical Name>
TOYOCAMYCIN

>  <dtpname:Chemical Name>
TOYOCAMYCIN

>  <dtpname:Chemical Name>
Toyocamycin

>  <dtpname:Chemical Name>
Antibiotic 1037

>  <dtpname:Chemical Name>
Antibiotic E 212

>  <dtpname:Chemical Name>
7-Deaza-7-cyanoadenosine

>  <dtpname:9th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-.beta.-D-ribofuranosyl-

>  <dtpname:8th C.I.>
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-7-.beta.-D-ribofuranosyl-

$$$$
85236
  CML DOM 08121414052D

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

>  <Release>
October 2011

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

>  <CAS>
6754-13-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H18O4

>  <Molecular Weight (nearest integer)>
262

>  <dtpname:Chemical Name>
PF 56

>  <dtpname:Chemical Name>
HELENALIN

>  <dtpname:Chemical Name>
Helenalin

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

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

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

$$$$
105388
  CML DOM 08121414052D

 48 48  0  0  0  0  0  0  0  0999 V2000
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   -9.5863  -10.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9882  -10.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3901  -10.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0911   -1.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4930   -6.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
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  3  9  1  0  0  0  0
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 16 31  2  0  0  0  0
 16 28  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 27  1  0  0  0  0
 22 30  1  0  0  0  0
 23 44  1  0  0  0  0
 24 43  1  0  0  0  0
 25 42  1  0  0  0  0
 26 40  1  0  0  0  0
 27 39  1  0  0  0  0
 29 30  1  0  0  0  0
 30 34  1  0  0  0  0
 30 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 41  1  0  0  0  0
M  END
>  <NSC>
105388

>  <Release>
October 2011

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

>  <CAS>
6834-98-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C35H58O12

>  <Molecular Weight (nearest integer)>
671

>  <dtpname:Chemical Name>
S 232

>  <dtpname:Chemical Name>
LAGOSIN

>  <dtpname:Chemical Name>
Lagosin

>  <dtpname:Chemical Name>
Cogomycin

>  <dtpname:Chemical Name>
Pentamycin

>  <dtpname:Chemical Name>
Oxacyclooctacosa-17,19,21,23,25-pentaen-2-one, 4,6,8,10,12,14,15,16,27-nonahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-

>  <dtpname:Chemical Name>
WLN: T-28-OV RU TU VU A&U C&UTJ CYQ5 DQ FQ HQ JQ LQ NQ OQ PQ R1 E&Q F&1

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

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

$$$$
122750
  CML DOM 08121414052D

 41 42  0  0  0  0  0  0  0  0999 V2000
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   13.7576    0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0184   -0.5618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5101   -0.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0922    2.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3912    2.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7931    2.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3912    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7931    0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0922   -0.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6061   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4055   -1.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7045   -2.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3626   -8.2233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  6  0  0  0
 16 26  1  0  0  0  0
 16 31  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  6  0  0  0
 23 24  1  0  0  0  0
 23 37  1  6  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 26  1  0  0  0  0
 26 32  1  1  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 33 34  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
M  END
>  <NSC>
122750

>  <Release>
October 2011

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

>  <CAS>
30562-34-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H40N2O9

>  <Molecular Weight (nearest integer)>
561

>  <dtpname:Chemical Name>
Geldanamicin

>  <dtpname:Chemical Name>
GELDANAMYCIN

>  <dtpname:Chemical Name>
GELDANAMYCIN

>  <dtpname:Chemical Name>
Geldanamycin

>  <dtpname:Chemical Name>
Antibiotic U 29135

>  <dtpname:Chemical Name>
Antibiotic (U-29,135)

>  <dtpname:8th C.I.>
2-Azabicyclo[16.3.1]docosa-4,6,10,18,21-pentaene- 3,20,22-trione, 9,13-dihydroxy-8,14,19-trimethoxy- 4,10,12,16-tetramethyl-, 9-carbamate

$$$$
5366
  CML DOM 08121414052D

 32 36  0  0  0  0  0  0  0  0999 V2000
    3.7887    9.9831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548    8.4162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0519    8.0840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 22 26  1  0  0  0  0
 24 29  1  0  0  0  0
 26 27  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
5366

>  <Release>
October 2011

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

>  <CAS>
128-62-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H23NO7

>  <Molecular Weight (nearest integer)>
413

>  <dtpname:Chemical Name>
Opian

>  <dtpname:Chemical Name>
Lyobex

>  <dtpname:Chemical Name>
Capval

>  <dtpname:Chemical Name>
Vadebex

>  <dtpname:Chemical Name>
Opianin

>  <dtpname:Chemical Name>
Nipaxon

>  <dtpname:Chemical Name>
Terbenol

>  <dtpname:Chemical Name>
Longatin

>  <dtpname:Chemical Name>
NSC 5366

>  <dtpname:Chemical Name>
Narcotin

>  <dtpname:Chemical Name>
Narkotin

>  <dtpname:Chemical Name>
Nectadon

>  <dtpname:Chemical Name>
Nicolane

>  <dtpname:Chemical Name>
Noscapal

>  <dtpname:Chemical Name>
Noscapin

>  <dtpname:Chemical Name>
Opianine

>  <dtpname:Chemical Name>
Noscapine

>  <dtpname:Chemical Name>
NARCOTINE

>  <dtpname:Chemical Name>
Coscotabs

>  <dtpname:Chemical Name>
Narcosine

>  <dtpname:Chemical Name>
Narcompren

>  <dtpname:Chemical Name>
Noscapalin

>  <dtpname:Chemical Name>
Tusscapine

>  <dtpname:Chemical Name>
Narcotussin

>  <dtpname:Chemical Name>
Key-Tusscapine

>  <dtpname:Chemical Name>
Methoxyhydrastine

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

>  <dtpname:Chemical Name>
1-.alpha.-Narcotine

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

>  <dtpname:Chemical Name>
O-Methylnarcotoline

>  <dtpname:Chemical Name>
L-.alpha.-Narcotine

>  <dtpname:Chemical Name>
Phthalide, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-

>  <dtpname:Chemical Name>
WLN: T C566 DO FO KN EH & & TJ HO1 K1 J-DT56 BVO DHJ HO1 IO1

>  <dtpname:9th C.I.>
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-

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

>  <dtpname:VAN>
Coscopin

$$$$
11926
  CML DOM 08121414052D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.4495   10.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7578   11.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3312   11.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7578    9.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3312    9.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8725    8.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5606    7.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0193    7.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1341    6.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5928    7.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    8.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514    7.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8222    5.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2809    5.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7396    6.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3956    4.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8543    5.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424    4.0216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1158    3.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7457    4.2301    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2311    4.4389    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1838    2.8393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8327    6.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7804    5.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1571    7.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 20  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  CHG  2  20   1  21  -1
M  END
>  <NSC>
11926

>  <Release>
October 2011

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

>  <CAS>
313-67-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C17H11NO7

>  <Molecular Weight (nearest integer)>
341

>  <dtpname:Chemical Name>
TR 1736

>  <dtpname:Chemical Name>
Tardolyt

>  <dtpname:Chemical Name>
Aristolochin

>  <dtpname:Chemical Name>
Aristolochic acid

>  <dtpname:Chemical Name>
ARISTOLOCHIC ACID

>  <dtpname:Chemical Name>
ARISTOLOCHIC ACID

>  <dtpname:Chemical Name>
Aristolochic acid I

>  <dtpname:9th C.I.>
Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-

>  <dtpname:8th C.I.>
Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-

$$$$
22842
  CML DOM 08121414052D

 20 23  0  0  0  0  0  0  0  0999 V2000
    2.9731    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7757   -1.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2840   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6739   -3.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5555   -4.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0473   -4.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6574   -2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9290   -5.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6740    1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821   -3.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <NSC>
22842

>  <Release>
October 2011

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

>  <CAS>
479-13-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H8O5

>  <Molecular Weight (nearest integer)>
268

>  <dtpname:Chemical Name>
Cumostrol

>  <dtpname:Chemical Name>
Coumestrol

>  <dtpname:Chemical Name>
Cumoestrol

>  <dtpname:Chemical Name>
3-Benzofurancarboxylic acid, 2-(2,4-dihydroxyphenyl)-6-hydroxy-, .delta.-lactone

>  <dtpname:9th C.I.>
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-

>  <dtpname:8th C.I.>
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-

$$$$
30552
  CML DOM 08121414052D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.8433    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    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
    7.2452    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    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
   15.0394    3.7500    0.0000 O   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
   15.0394    0.7500    0.0000 O   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
    9.8433    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
  5 11  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 13 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
 24 28  2  0  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <NSC>
30552

>  <Release>
October 2011

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

>  <CAS>
6147-11-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H26O6

>  <Molecular Weight (nearest integer)>
410

>  <dtpname:Chemical Name>
MANGOSTIN

>  <dtpname:Chemical Name>
Mangostin

>  <dtpname:9th C.I.>
9H-Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-

>  <dtpname:8th C.I.>
Xanthen-9-one, 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-butenyl)-

$$$$
35611
  CML DOM 08121414052D

 62 69  0  0  0  0  0  0  0  0999 V2000
    5.5712   -5.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -7.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -5.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -2.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693   -8.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6589  -11.6131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -3.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693   -5.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673    0.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -0.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7674   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7673   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741   -7.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -8.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712   -9.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506   -9.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2323  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2722  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506  -12.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240  -11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6741  -11.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2323  -13.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9579  -10.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2569  -11.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2569  -13.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9579  -13.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6589  -13.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750  -12.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721   -2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9687   -2.0993    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731  -11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664   -7.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664  -10.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0808  -13.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683  -11.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702  -10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0663   -1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7687  -15.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0663    1.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702    3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5560  -10.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 22  1  0  0  0  0
  6 33  1  0  0  0  0
  6 40  1  0  0  0  0
  6 44  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 49  1  0  0  0  0
  9 11  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 60  1  0  0  0  0
 14 15  1  0  0  0  0
 14 59  1  0  0  0  0
 15 16  1  0  0  0  0
 15 58  1  0  0  0  0
 16 17  1  0  0  0  0
 16 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 28 31  1  0  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 29 34  1  0  0  0  0
 29 50  1  0  0  0  0
 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  1  0  0  0  0
 33 36  1  0  0  0  0
 34 38  1  0  0  0  0
 36 39  1  0  0  0  0
 36 37  1  0  0  0  0
 37 45  1  0  0  0  0
 37 53  1  0  0  0  0
 38 45  1  0  0  0  0
 39 44  1  0  0  0  0
 39 57  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 62  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 46 47  1  0  0  0  0
 60 61  1  0  0  0  0
M  END
>  <NSC>
35611

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C45H73NO15.ClH

>  <Molecular Weight (nearest integer)>
905

>  <dtpname:Chemical Name>
SOLANINE

>  <dtpname:Chemical Name>
Solanine, hydrochloride

$$$$
51001
  CML DOM 08121414052D

 59 62  0  0  0  0  0  0  0  0999 V2000
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    5.9377   -0.6405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463   -0.8775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6649    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2138    7.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7170   10.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2659   13.0963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0386    5.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8896    4.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1877    4.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1396    5.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300    5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4377    3.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9905    3.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3540    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0868    1.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3473   -0.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8896    0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1877    0.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1682    7.9791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2040    9.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6552    6.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1779    6.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7268    8.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7528   11.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2756   11.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115   12.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8245   13.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017   14.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6526    7.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9971    3.7578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9149    2.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4482    2.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0386    7.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2849    8.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859    7.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8312    1.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1328    3.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6101    3.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6198    4.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6910    7.7186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6910    7.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6454    8.2395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6096    7.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1584    9.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7887   12.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8342   12.3149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8147   15.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8603   15.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3733   16.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8505   16.8040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4091   17.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9319   17.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4189   16.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677   18.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
 21  2  1  6  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 23  1  0  0  0  0
  4 20  2  0  0  0  0
 11  5  1  6  0  0  0
  5 27  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 25  1  0  0  0  0
  7 29  1  0  0  0  0
  8 29  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 38  1  6  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  6  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 41  1  6  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 37  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 28 46  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
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 33 52  1  0  0  0  0
 35 36  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
M  END
>  <NSC>
51001

>  <Release>
October 2011

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

>  <CAS>
4564-87-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C42H67NO16

>  <Molecular Weight (nearest integer)>
842

>  <dtpname:Chemical Name>
M-4209

>  <dtpname:Chemical Name>
CARBOMYCIN

>  <dtpname:Chemical Name>
Carbomycin

>  <dtpname:Chemical Name>
Magnamycin A

>  <dtpname:Chemical Name>
Deltamycin A4

>  <dtpname:Chemical Name>
GS MAI 5201 52 3

>  <dtpname:Chemical Name>
GS-MAI 5201-52-3

>  <dtpname:Chemical Name>
Carbomycin acetate

>  <dtpname:Chemical Name>
9-Deoxy-12,13-epoxy-9-oxoleucomycin V 3-acetate 4(sup b)-(3-methylbutanoate)

>  <dtpname:Chemical Name>
Leucomycin V, 9-deoxy-12,13-epoxy-9-oxo-, 3-acetate 4(sup b)-(3-methylbutanoate

>  <dtpname:Chemical Name>
Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate 4B-(3-methylbutanoate), (12R,13S)-

>  <dtpname:Chemical Name>
Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate 4B-(3-methylbutanoate), (12R,13S)-

>  <dtpname:Chemical Name>
WLN: T3-17- BO GOV PV QUTJ EOV1 JOVY2&1 KO1 M1VH O1 NO- BT6OTJ CQ DN2&2 F1 EO- BT6OTJ DQ D1 EQ F1

>  <dtpname:Chemical Name>
10-Hexadecenoic acid, 5-[[4-(diemthylamino)tetrahydro-3-hydroxy-6-methyl-5-[(tetrahydro-4,5-dihydroxy-4,6-dimethylpyran-2-yl)oxy]pyran-2-yl]oxy]-12,13-epoxy-6-(formylmethyl)-3,15-dihydroxy-4-methoxy-8-methyl-9-oxo-, .omega.-lactone, acetate, isovalerate

>  <dtpname:Chemical Name>
10-Hexadecenoic acid, 5-[[4-(diemthylamino)tetrahydro-3-hydroxy-6-methyl-5-[(tetrahydro-4,5-dihydroxy-4,6-dimethylpyran-2-yl)oxy]-pyran-2-yl]oxy]-12,13-epoxy-6-(formylmethyl)-3,15-dihydroxy-4-methoxy-8-methyl-9-oxo-,.omega.-lactone, acetate, isovalerate

>  <dtpname:9th C.I.>
Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate 4B-(3-methylbutanoate), (12S,13S)-

>  <dtpname:9th C.I.>
Leucomycin V, 9-deoxy-12,13-epoxy-12,13-dihydro-9-oxo-, 3-acetate 4B-(3-methylbutanoate), (12S,13S)-

>  <dtpname:8th C.I.>
Carbomycin A

>  <dtpname:VAN>
Magnamycin

$$$$
67574
  CML DOM 08121414052D

 67 74  0  0  0  0  0  0  0  0999 V2000
    9.9956  -10.7302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4051   -3.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2654  -11.7584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7212   -6.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7212   -9.5166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0391   -3.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554   -5.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438   -6.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918   -5.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400   -6.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2835   -5.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1789   -3.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0202   -5.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7212  -11.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6221   -9.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5871   -4.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -7.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6385   -9.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7570  -12.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032   -6.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0807   -6.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4904   -4.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3193   -9.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6183   -8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3193  -11.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7965  -10.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7607  -11.9052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3095   -9.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1119   -1.9007    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4110   -2.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8619   -0.6017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8129   -1.1507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3619   -3.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6854  -12.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1626  -11.9052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1724  -13.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6951  -13.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7390   -5.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7810   -6.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1524   -3.6009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6079   -3.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2209   -2.8303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5320  -12.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0648  -12.4686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  1 35  1  0  0  0  0
  1 66  1  0  0  0  0
 39  2  1  6  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
 31  3  1  1  0  0  0
  4 22  1  0  0  0  0
  4 27  1  0  0  0  0
  4 26  1  0  0  0  0
 26  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 43  1  0  0  0  0
  7 45  1  6  0  0  0
  8  9  1  0  0  0  0
  9 39  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 34  1  1  0  0  0
 11 12  1  0  0  0  0
 11 61  1  0  0  0  0
 12 15  2  0  0  0  0
 12 65  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 65  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 25 46  1  6  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  1  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 37  1  0  0  0  0
 30 48  1  1  0  0  0
 31 37  1  0  0  0  0
 32 35  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 36  1  0  0  0  0
 35 38  1  0  0  0  0
 36 38  2  0  0  0  0
 36 40  1  0  0  0  0
 37 42  1  1  0  0  0
 37 57  1  0  0  0  0
 40 41  1  0  0  0  0
 43 44  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  2  0  0  0  0
 52 54  1  0  0  0  0
 52 55  2  0  0  0  0
 52 56  1  0  0  0  0
 57 58  2  0  0  0  0
 57 59  1  0  0  0  0
 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)

$$$$
85239
  CML DOM 08121414052D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0129    5.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648    7.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648    6.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4120    3.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5232    2.8151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    8.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    5.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9105    3.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8999    8.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8999    5.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5508    7.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0372    6.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3050    5.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9841    4.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828    3.1357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3914    5.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    9.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5009    4.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4324    8.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 16  2  0  0  0  0
  2  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
85239

>  <Release>
October 2011

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

>  <CAS>
508-59-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H18O4

>  <Molecular Weight (nearest integer)>
262

>  <dtpname:Chemical Name>
Parthenin

>  <dtpname:Chemical Name>
Parthenicin

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

>  <dtpname:8th C.I.>
10.alpha.H-Ambrosa-2,11(13)-dien-12-oic acid, 1,6.beta.-dihydroxy-4-oxo-, .gamma.-lactone

$$$$
106399
  CML DOM 08121414052D

 45 48  0  0  0  0  0  0  0  0999 V2000
   -8.9712   -0.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9042    6.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0226    5.3149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9207    6.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3248   11.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8188   10.7961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6230   12.9451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2134   13.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9530   14.9353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5434   15.4484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4289    9.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0023    8.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3105    8.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8023    8.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4124    6.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0023    7.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4289    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5308    5.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0390    5.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1409    4.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6327    3.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2428    2.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1573    4.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2592    2.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3611    1.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7674    3.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8693    1.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7346    2.4174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9740    0.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4139    1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6491    4.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2890    9.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0606    9.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4252    5.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8020   11.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0644   12.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6548   13.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7888    9.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8416   17.3767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4320   17.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2830   16.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1716   19.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1020   15.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0662   14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5793   16.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  2  0  0  0  0
  2 15  2  0  0  0  0
 20  3  1  6  0  0  0
 19  4  1  1  0  0  0
  5 11  1  0  0  0  0
  5 32  1  0  0  0  0
  5 35  1  1  0  0  0
  5 36  1  0  0  0  0
 11  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  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
 12 38  1  6  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 33  1  1  0  0  0
 14 15  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  6  0  0  0
 18 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  1  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 22 25  1  0  0  0  0
 22 28  1  0  0  0  0
 23 26  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 36 37  2  0  0  0  0
 39 40  1  0  0  0  0
 39 43  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
M  END
>  <NSC>
106399

>  <Release>
October 2011

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

>  <CAS>
18444-66-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C32H44O8

>  <Molecular Weight (nearest integer)>
557

>  <dtpname:Chemical Name>
CUE

>  <dtpname:Chemical Name>
CUCURBITACIN E

>  <dtpname:Chemical Name>
Cucurbitacin E

>  <dtpname:Chemical Name>
CUCURBITACIN E

>  <dtpname:Chemical Name>
ELATERIN, ALPHA

>  <dtpname:Chemical Name>
Cucurbitacine E

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

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

>  <dtpname:9th C.I.>
19-Norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-

>  <dtpname:8th C.I.>
19-Nor-9.beta.,10.alpha.-lanosta-1,5,23-triene-3,11,22-trione, 2,16.alpha.,20,25-tetrahydroxy-9-methyl-, 25-acetate

$$$$
122819
  CML DOM 08121414052D

 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
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   -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)

$$$$
129536
  CML DOM 08121414052D

 22 26  0  0  0  0  0  0  0  0999 V2000
   -5.6828    7.3392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9328    8.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7829    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7829    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5068   10.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0731    3.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5731    3.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6599    1.8611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0956    9.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1848    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350    8.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1848    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2850    7.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9839    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4839    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1848    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    5.5627    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  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  8 21  1  0  0  0  0
  9 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
129536

>  <Release>
October 2011

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

>  <CAS>
21416-53-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H18O7

>  <Molecular Weight (nearest integer)>
310

>  <dtpname:Chemical Name>
PICROTIN

>  <dtpname:Chemical Name>
3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1a.alpha.,2a.beta.,3.beta.,6.beta.,6a.beta.,8aS*,8b.beta.,9R*)-

>  <dtpname:9th C.I.>
3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, [1aR-(1a.alpha.,2a.beta.,3.beta.,6.beta.,6a.beta.,8aS*,8b.beta.,9S*)]-

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

>  <dtpname:VAN>
Picrotin

$$$$
157035
  CML DOM 08121414052D

 20 22  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
   -5.9462   -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
   -3.3481   -3.7500    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   -1.5000    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
   -0.7500   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3727   -1.7865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2544   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3727   -4.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7544   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1029   -0.7582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1029   -5.2418    0.0000 H   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   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0876   -3.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8363   -5.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  1  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  6  0  0  0
  3  4  1  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
  5 17  1  1  0  0  0
  5 19  1  0  0  0  0
  6 17  1  1  0  0  0
  7  8  2  0  0  0  0
  7 18  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
 12 14  2  0  0  0  0
 13 20  2  0  0  0  0
M  END
>  <NSC>
157035

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20O3

>  <Molecular Weight (nearest integer)>
248

>  <dtpname:Chemical Name>
Parthenolide

>  <dtpname:Chemical Name>
4,5-.alpha.-Epoxy-6-.beta.-hydroxygermacra-1(10),11(13)-dien-12-oic acid gamma-lactone

>  <dtpname:Chemical Name>
4,5-.alpha.-Epoxy-6-.beta.-hydroxygermacra-1(10,11(13)-dien-12-oic acid .gamma.-lactone

>  <dtpname:Chemical Name>
Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, 2,3,6,7,7a,8, 10a,10b-octahydro-1a,5-dimethyl-8-methylene-, (1aR,4E,7aS,10aS,10bR)- (9CI)-

$$$$
209870
  CML DOM 08121414052D

 38 39  0  0  0  0  0  0  0  0999 V2000
    0.2745    4.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    8.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    9.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687    8.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   10.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0245    6.2745    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
    1.5735    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.4707    8.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1716    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3678   10.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   13.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7697   12.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    5.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    8.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8726   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5735    4.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586    4.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6846    4.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707   10.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    4.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
209870

>  <Release>
October 2011

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

>  <CAS>
34698-88-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H50O10

>  <Molecular Weight (nearest integer)>
547

>  <dtpname:Chemical Name>
A 31438

>  <dtpname:Chemical Name>
ANTIBIOTIC A-31438

$$$$
255109
  CML DOM 08121414052D

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 25 43  1  0  0  0  0
 38 44  1  0  0  0  0
 38 45  1  0  0  0  0
M  END
>  <NSC>
255109

>  <Release>
October 2011

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

>  <CAS>
64202-81-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H39N3O8

>  <Molecular Weight (nearest integer)>
546

>  <dtpname:Chemical Name>
GELDANAMYCIN ANALOG

>  <dtpname:Chemical Name>
17-Aminodemethoxygeldanamycin

>  <dtpname:Chemical Name>
17-Amino-17-demethoxygeldanamycin

>  <dtpname:Chemical Name>
Geldanamycin, 17-amino-17-demethoxy-

$$$$
285116
  CML DOM 08121414052D

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M  END
>  <NSC>
285116

>  <Release>
October 2011

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

>  <CAS>
12656-09-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C71H81N19O18S5

>  <Molecular Weight (nearest integer)>
1649

>  <dtpname:Chemical Name>
SIOMYCIN A

>  <dtpname:Chemical Name>
Thiostrepton,1-Valine-2-(2,3-didehydroalanine)-

>  <dtpname:Chemical Name>
Thiostrepton, 1-valine-2-(2,3-didehydroalanine)-

$$$$
307981
  CML DOM 08121414052D

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M  END
>  <NSC>
307981

>  <Release>
October 2011

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

>  <CAS>
5490-47-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H26O6

>  <Molecular Weight (nearest integer)>
434

>  <dtpname:Chemical Name>
LONCHOCARPIC ACID

>  <dtpname:Chemical Name>
Lonchocarpic acid

>  <dtpname:9th C.I.>
2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 4-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-

>  <dtpname:8th C.I.>
2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 4-hydroxy-3-(p-hydroxyphenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-2-butenyl)-

$$$$
333856
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    0.0965   -5.7987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -8.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5015  -10.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3956  -11.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6946  -13.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965  -13.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  6  1  0  0  0  0
 17 12  2  0  0  0  0
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 37 31  1  0  0  0  0
 40 35  1  0  0  0  0
 51 46  1  0  0  0  0
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 83 81  1  0  0  0  0
 92 90  1  0  0  0  0
 93 94  1  0  0  0  0
 82 95  1  0  0  0  0
 16 96  1  0  0  0  0
M  CHG  2  49   1  55  -1
M  END
>  <NSC>
333856

>  <Release>
October 2011

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

>  <Structure Evaluation>
Inconsistent with Molecular Formula - no structure mapped to Na from C67H96N2O24.Na

>  <Molecular Formula in DIS>
C67H96N2O24.Na

>  <Molecular Weight (nearest integer)>
1337

>  <dtpname:Chemical Name>
NSC 329083

>  <dtpname:Chemical Name>
Tetrocarcin A, sodium salt

>  <dtpname:Chemical Name>
Antlermicin A, monosodium salt

$$$$
350085
  CML DOM 08121414052D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -9.3462   -3.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8165    0.2776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7146   -3.6766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7109   -0.1348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1899   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6981   -0.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0716   -1.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0880   -2.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4615   -3.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5962   -2.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3247    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7146   -1.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2880   -1.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9889   -0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6899   -1.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9697   -3.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2880   -3.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9889   -3.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3909   -3.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0918   -3.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
 12  4  1  6  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 20  1  0  0  0  0
  8 16  2  0  0  0  0
  8 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
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 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
350085

>  <Release>
October 2011

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

>  <CAS>
32383-76-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14O4

>  <Molecular Weight (nearest integer)>
270

>  <dtpname:Chemical Name>
Medicarpin

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

>  <dtpname:Chemical Name>
Medicarpin, (-)-

>  <dtpname:Chemical Name>
Demethylhomopterocarpin

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

>  <dtpname:Chemical Name>
(l)-De-o-methylhomopterocarpan

>  <dtpname:Chemical Name>
3-Hydroxy-9-methoxypterocarpan

>  <dtpname:Chemical Name>
l-3-Hydroxy-9-methoxypterocarpan

>  <dtpname:Chemical Name>
(-)-3-Hydroxy-9-methoxypterocarpan

>  <dtpname:9th C.I.>
6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, (6aR-cis)-

>  <dtpname:8th C.I.>
6H-Benzofuro[3,2-c][1]benzopyran-3-ol, 6a,11a-dihydro-9-methoxy-, cis-

$$$$
400978
  CML DOM 08121414052D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -5.5205   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050   -6.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5205   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2215   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9132   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8195   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7985   -4.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  8  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
400978

>  <Release>
October 2011

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

>  <CAS>
1146-04-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20O3

>  <Molecular Weight (nearest integer)>
248

>  <dtpname:Chemical Name>
DR-15977

>  <dtpname:Chemical Name>
ILLUDIN M

>  <dtpname:Chemical Name>
Illudin M

>  <dtpname:Chemical Name>
Illudine M

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

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

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

$$$$
637086
  CML DOM 08121414052D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.2721    5.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    3.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8702   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -0.8505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -0.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7673   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -3.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692   -2.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683    1.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8702   -3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4683   -4.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1939   -0.3870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6574    1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0756   -1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1939   -2.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  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
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <NSC>
637086

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H18N4O3

>  <Molecular Weight (nearest integer)>
278

>  <dtpname:Chemical Name>
Pentoxifyllin

>  <dtpname:Chemical Name>
3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione

$$$$
131547
  CML DOM 08121414052D

 38 43  0  0  0  0  0  0  0  0999 V2000
    4.3612    1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612    0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602   -0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9593    0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9593    1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6602    2.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2583   -0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5574    0.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5574    1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2583   -2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5574   -2.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8564   -2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8564   -0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7064   -3.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0364   -4.8745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6960   -6.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9460   -7.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4460   -7.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6960   -6.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4460   -5.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5991  -10.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3855  -11.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0152  -10.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8584   -9.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5423  -12.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9460   -5.3876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0622   -0.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631    0.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1554   -2.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4545   -2.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5932   -4.0952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2 34  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  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  6  0  0  0
  8  9  1  0  0  0  0
  8 14  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
 12 15  1  0  0  0  0
 12 38  1  6  0  0  0
 13 14  1  0  0  0  0
 13 36  1  6  0  0  0
 15 21  1  0  0  0  0
 21 16  1  6  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 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
 23 30  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
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <NSC>
131547

>  <Release>
October 2011

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

>  <CAS>
2632-29-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C29H37N3O3

>  <Molecular Weight (nearest integer)>
476

>  <dtpname:Chemical Name>
Marckine

>  <dtpname:Chemical Name>
TUBOLOSINE

>  <dtpname:Chemical Name>
TUBULOSINE

>  <dtpname:Chemical Name>
Tubulosan-8'-ol, 10,11-dimethoxy-

>  <dtpname:9th C.I.>
1H-Pyrido[3,4-b]indol-6-ol, 1-[[(2S,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro- 9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]- 2,3,4,9-tetrahydro-, (1R)-

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

$$$$
169627
  CML DOM 08121414052D

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   16.3385    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2356    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.2356    4.5000    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
   12.4413    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4413    7.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404   11.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7404    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0394    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3385    9.7500    0.0000 H   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    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0490   12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5346    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5346    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6375    7.5000    0.0000 O   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
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  6  7  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
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  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 19  1  0  0  0  0
 11 12  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
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 27 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 32  1  0  0  0  0
 28 52  1  0  0  0  0
 29 34  2  0  0  0  0
 29 53  1  0  0  0  0
 30 37  2  0  0  0  0
 30 31  1  0  0  0  0
 31 33  1  0  0  0  0
 32 36  1  0  0  0  0
 32 54  1  0  0  0  0
 33 36  1  0  0  0  0
 33 56  1  0  0  0  0
 34 39  1  0  0  0  0
 34 35  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 59  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 55 57  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
 57 59  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <NSC>
169627

>  <Release>
October 2011

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

>  <CAS>
54955-14-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C40H49NO14

>  <Molecular Weight (nearest integer)>
768

>  <dtpname:Chemical Name>
STREPTOVAL C

>  <dtpname:Chemical Name>
Streptoval C

>  <dtpname:Chemical Name>
Streptovaricinal C

>  <dtpname:9th C.I.>
2H-Pyran-3-carboxylic acid, 2-[8-[[10-(acetyloxy)-7-hydroxy-5,9-dimethyl-1-(1-methyl-3-oxo-1-butenyl)-6-oxo-6H-naphtho[2,1-d][1,3]dioxin-8-yl]amino]-2-hydroxy-1,3,7-trimethyl-8-oxo-4,6-octadienyl]tetrahydro-4,6-dihydroxy-5-methyl-, methyl ester

$$$$
210236
  CML DOM 08121414052D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.6549    3.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407    1.8062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    4.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407    3.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6014    4.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    2.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6621    3.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9611    4.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601    3.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5592    4.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8582    3.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8582    1.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    0.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5592    1.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6621    1.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <NSC>
210236

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H30O4

>  <Molecular Weight (nearest integer)>
334

>  <dtpname:Chemical Name>
CRASSIN

>  <dtpname:Chemical Name>
Crassin

$$$$
263164
  CML DOM 08121414052D

 23 23  0  0  0  0  0  0  0  0999 V2000
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    6.6671   -0.9569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9097   -1.2282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5941   -3.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9415    1.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2405    1.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <NSC>
263164

>  <Release>
October 2011

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

>  <CAS>
58337-38-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H23N5O.ClH

>  <Molecular Weight (nearest integer)>
314

>  <dtpname:Chemical Name>
EHNA HCl

>  <dtpname:Chemical Name>
Adenosine deaminase inhibitor

>  <dtpname:Chemical Name>
9H-Purine-9-ethanol, 6-amino-.beta.-hexyl-.alpha.-methyl-, monohydrochloride

>  <dtpname:9th C.I.>
9H-Purine-9-ethanol, 6-amino-.beta.-hexyl-.alpha.-methyl-, monohydrochloride, (R*,S*)-

$$$$
287088
  CML DOM 08121414052D

 38 45  0  0  0  0  0  0  0  0999 V2000
    2.0885    2.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2225    1.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565    1.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2225    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1943    1.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096    1.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1473    0.2471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0236    0.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565    3.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135    2.1332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5880   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3096   -0.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
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 14 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  2  0  0  0  0
 20 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 17 20  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 30 32  2  0  0  0  0
 36 37  2  0  0  0  0
 15 38  1  0  0  0  0
M  END
>  <NSC>
287088

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C28H30O9

>  <Molecular Weight (nearest integer)>
511

>  <dtpname:Chemical Name>
PHYSALIN B

>  <dtpname:Chemical Name>
Physalin B

$$$$
325014
  CML DOM 08121414052D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -9.2942   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9952   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6962    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3971    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5568   -6.0717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1473   -5.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5933    0.7500    0.0000 C   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
   -6.6962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6961   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8923   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2942    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2942   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6961   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6603   -4.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1375   -3.8886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4069   -2.4200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.8483   -3.3086    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9199   -0.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4077   -7.0359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 17  1  1  0  0  0
 12  2  1  1  0  0  0
  3 10  2  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  6  5  1  1  0  0  0
  6 19  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 15  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  6  0  0  0
 14 21  1  0  0  0  0
 14 24  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
325014

>  <Release>
October 2011

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

>  <CAS>
72615-20-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H20Cl2N2O6

>  <Molecular Weight (nearest integer)>
383

>  <dtpname:Chemical Name>
BACTOBOLIN

>  <dtpname:Chemical Name>
BACTOBOLIN

>  <dtpname:Chemical Name>
Bactobolin

>  <dtpname:Chemical Name>
Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-

>  <dtpname:Chemical Name>
Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl]-, [3S-[3.alpha.,4.alpha.(R*),4a.beta.,5.beta.,6.alpha.]]-

>  <dtpname:9th C.I.>
Propanamide, 2-amino-N-[3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl-, (3S-(3.alpha.,4.alpha.(R*),4a.beta.,5.beta.,6.alpha.))-

$$$$
337783
  CML DOM 08121414052D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.0025    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    5.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4927    8.6476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4044    7.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937    7.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7034    7.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4536    2.3390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
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  4  7  2  0  0  0  0
  8  5  1  0  0  0  0
 11  5  1  0  0  0  0
 11  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  6  0  0  0
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 12 22  1  1  0  0  0
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 15 25  1  1  0  0  0
 17 18  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
337783

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H30O5

>  <Molecular Weight (nearest integer)>
362

>  <dtpname:Chemical Name>
TRIPTOLIDE ANALOG

$$$$
361902
  CML DOM 08121414052D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7719    1.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0031   -1.3089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0397   -0.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1770    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5261   -0.4261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1770   -1.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394    1.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394   -2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1664   -3.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121   -1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6649   -3.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0640   -2.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6001   -4.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5760    2.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445   -1.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9731    2.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3401   -4.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <NSC>
361902

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20O4

>  <Molecular Weight (nearest integer)>
264

>  <dtpname:Chemical Name>
SEQUITERPENE LACTONE 326

$$$$
401005
  CML DOM 08121414052D

 26 31  0  0  0  0  0  0  0  0999 V2000
   -9.1239   -6.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1239   -8.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8249   -9.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5259   -8.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3 17  2  0  0  0  0
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  4  9  1  0  0  0  0
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  5 21  1  0  0  0  0
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  9 10  1  0  0  0  0
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 19 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
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 24 25  1  0  0  0  0
M  END
>  <NSC>
401005

>  <Release>
October 2011

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

>  <CAS>
1404-23-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H22O5

>  <Molecular Weight (nearest integer)>
354

>  <dtpname:Chemical Name>
PLEUROTIN

>  <dtpname:Chemical Name>
Pleurotine

>  <dtpname:9th C.I.>
2H-5,12d-Ethanofuro[4',3',2':4,10]anthra[9,1-bc]oxepin-2,9,12-trione, 2a,3,4,4a,5,6,7,8a,12b,12c-decahydro-6-methyl-

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

$$$$
661755
  CML DOM 08121414052D

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M  END
>  <NSC>
661755

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C46H48N2O8.2C2H4O2

>  <Molecular Weight (nearest integer)>
877

>  <dtpname:Chemical Name>
MICHELLAMINE B

>  <dtpname:Chemical Name>
Michellamine B diacetic acid salt

$$$$
133100
  CML DOM 08121414052D

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 30 32  1  0  0  0  0
 31 45  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
M  CHG  1   8   1
M  END
>  <NSC>
133100

>  <Release>
October 2011

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

>  <CAS>
15105-92-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C37H47NO12.Na

>  <Molecular Weight (nearest integer)>
721

>  <dtpname:Chemical Name>
Rifocin

>  <dtpname:Chemical Name>
Rifamycin

>  <dtpname:Chemical Name>
RIFAMYCIN SV

>  <dtpname:Chemical Name>
Rifamycin SV

>  <dtpname:Chemical Name>
Rifamycin sodium salt

>  <dtpname:Chemical Name>
Monosodium rifamycin SV

>  <dtpname:Chemical Name>
2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, monosodium salt

>  <dtpname:9th C.I.>
Rifamycin, monosodium salt

>  <dtpname:9th C.I.>
2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.

>  <dtpname:8th C.I.>
2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, monosodium salt

$$$$
176503
  CML DOM 08121414052D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.4718    1.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8681    1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5367    2.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0408    0.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0916    3.0463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8705    4.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1853    1.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4371    1.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9353    5.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2749    4.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3988    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8338    2.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9839    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6099    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6607    2.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353    5.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7616    6.4452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5267    3.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2076    6.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7972    1.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0681   -0.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5080    0.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7844    6.5447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3803    6.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376    4.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2886    6.6568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  2  0  0  0  0
 13 23  1  0  0  0  0
 16 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 26  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 21 23  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <NSC>
176503

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H26O6

>  <Molecular Weight (nearest integer)>
362

>  <dtpname:Chemical Name>
Fastigilin B

>  <dtpname:Chemical Name>
FASTIGILLIN B

>  <dtpname:Chemical Name>
Fastigillin B

$$$$
221019
  CML DOM 08121414052D

 32 36  0  0  0  0  0  0  0  0999 V2000
    0.7500    2.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    4.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    6.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    5.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010    3.7071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    2.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    6.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    7.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    6.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    5.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    4.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    5.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    4.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    7.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    6.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7010    8.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    7.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    8.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    9.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    9.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9708    4.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    5.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9708    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4344    8.5890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0579    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5579    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    2.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
 12  3  1  6  0  0  0
  3 16  1  0  0  0  0
  4  5  1  6  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  1  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  6  0  0  0
 10 13  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  1  0  0  0
 11 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 32  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 32  2  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
221019

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C23H24O8

>  <Molecular Weight (nearest integer)>
428

>  <dtpname:Chemical Name>
WORTMANNIN

>  <dtpname:Chemical Name>
2-Oxaandrosta-5,8-dieno[6,5,4-bc]furan-3,7,17-trione, 11-(acetyloxy)-1-(methoxymethyl)-, (1.alpha.,11.alpha.)-

$$$$
267461
  CML DOM 08121414052D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7500    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5442    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1423    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4414    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
267461

>  <Release>
October 2011

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

>  <CAS>
52934-83-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C16H14O6

>  <Molecular Weight (nearest integer)>
302

>  <dtpname:Chemical Name>
NANAOMYCIN

>  <dtpname:Chemical Name>
Nanaomycin

>  <dtpname:Chemical Name>
Nanomycin A

>  <dtpname:Chemical Name>
Nanaomycin A

$$$$
292567
  CML DOM 08121414052D

 54 59  0  0  0  0  0  0  0  0999 V2000
   -4.9882  -14.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1029  -13.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5701  -13.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3165  -11.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9461  -10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471  -12.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3201  -12.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471  -14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5337  -13.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3239  -11.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6471   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481  -10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9461   -7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500  -12.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4257  -10.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2452   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2452   -3.7500    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
  -15.0988  -11.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8433   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -18.6925   -9.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8621  -13.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9640  -12.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0407   -9.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2790   -8.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6471   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
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 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  1  0  0  0  0
 25 21  1  0  0  0  0
 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 26  1  0  0  0  0
 30 26  1  0  0  0  0
 31 27  1  0  0  0  0
 32 27  1  0  0  0  0
 33 29  1  0  0  0  0
 34 30  1  0  0  0  0
 35 30  1  0  0  0  0
 36 31  1  0  0  0  0
 37 31  1  0  0  0  0
 38 32  1  0  0  0  0
 39 33  1  0  0  0  0
 40 36  2  0  0  0  0
 41 36  1  0  0  0  0
 42 39  1  0  0  0  0
 43 39  1  0  0  0  0
 44 42  1  0  0  0  0
 45 43  1  0  0  0  0
 46 43  1  0  0  0  0
 47 44  1  0  0  0  0
 48 44  1  0  0  0  0
 49 44  1  0  0  0  0
 50 47  1  0  0  0  0
 51 49  1  0  0  0  0
  8  5  1  0  0  0  0
 15 11  1  0  0  0  0
 22 21  1  0  0  0  0
 32 28  1  0  0  0  0
 35 33  1  0  0  0  0
 49 46  1  0  0  0  0
 50 52  1  0  0  0  0
 48 53  1  0  0  0  0
 41 54  1  0  0  0  0
M  END
>  <NSC>
292567

>  <Release>
October 2011

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

>  <CAS>
28643-80-3

>  <Structure Evaluation>
Inconsistent with Molecular Formula - no structure mapped to Na from C40H68O11.Na

>  <Molecular Formula in DIS>
C40H68O11.Na

>  <Molecular Weight (nearest integer)>
748

>  <dtpname:Chemical Name>
NIGERICIN

>  <dtpname:Chemical Name>
Nigericin sodium salt

>  <dtpname:9th C.I.>
Nigericin, monosodium salt

>  <dtpname:8th C.I.>
Nigericin, monosodium salt

$$$$
325319
  CML DOM 08121414052D

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 75 76  1  0  0  0  0
 79 80  1  0  0  0  0
M  END
>  <NSC>
325319

>  <Release>
October 2011

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

>  <CAS>
77327-05-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C57H89N7O15

>  <Molecular Weight (nearest integer)>
1112

>  <dtpname:Chemical Name>
DIDEMNIN B

>  <dtpname:Chemical Name>
DIDEMNIN B

>  <dtpname:Chemical Name>
Didemnin B

>  <dtpname:9th C.I.>
15H-Pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotri- cosine, cyclic peptide deriv.

>  <dtpname:9th C.I.>
L-Tyrosine, N-[1-[N-[4-[[3-hydroxy-4-[[N-[N-[1-(2-hydroxy-1-oxopropyl)- L-prolyl]-N-methyl-L-leucyl]-L-threonyl]amino-5-methyl- 1-oxoheptyl]oxy]-2,5-dimethyl-1,3-dioxohexyl]-L-leucyl]- L-prolyl]-N,O-dimethyl-, .phi.-lactone

$$$$
338250
  CML DOM 08121414052D

 50 53  0  0  0  0  0  0  0  0999 V2000
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   -6.8922    3.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500    1.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4703    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9327    0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8217    8.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1443   10.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1565    8.9556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3748    2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  3  1  6  0  0  0
  2 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  6  0  0  0
  6  5  1  1  0  0  0
  5 26  1  0  0  0  0
  6 11  1  0  0  0  0
  6  8  1  0  0  0  0
 13  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  1  6  0  0  0
  9 10  1  6  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 23  1  6  0  0  0
 12 47  1  0  0  0  0
 12 48  1  1  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 22  1  1  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 25 32  1  0  0  0  0
 26 27  2  0  0  0  0
 26 33  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
 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  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 50  1  0  0  0  0
 47 49  1  0  0  0  0
M  END
>  <NSC>
338250

>  <Release>
October 2011

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

>  <CAS>
53202-98-5

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C38H60O9

>  <Molecular Weight (nearest integer)>
661

>  <dtpname:Chemical Name>
12-O-Palmitoyl-16-hydroxyphorbol-13-acetate

>  <dtpname:Chemical Name>
PHORBOL-13-ACETATE, 12-O-PALMITOYL-16-HYDROXY

>  <dtpname:Chemical Name>
Hexadecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,3-bis(hydroxymethyl)-1,6,8-trimethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (1S-(1.alpha.,1a.alpha.,1b.beta.,4a.beta.,7a.alpha.,7b.alpha.,8.alpha.,9.beta.,9a.alpha.))-

$$$$
369397
  CML DOM 08121414052D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -3.7820    0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7820    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0810    2.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830    2.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0810    4.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3801    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839    1.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4830    4.0666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7820    4.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3801    4.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4155    5.0299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6791    2.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2122    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6405    6.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6791    4.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0273    6.4787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1764    7.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6764    7.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9781    4.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6633    8.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
  8  9  1  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
369397

>  <Release>
October 2011

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

>  <CAS>
63968-64-9

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H22O5

>  <Molecular Weight (nearest integer)>
282

>  <dtpname:Chemical Name>
Qinghaosu

>  <dtpname:Chemical Name>
Artemisinine

$$$$
407286
  CML DOM 08121414052D

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.2500    7.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    5.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    4.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000    8.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    7.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    7.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500    4.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  1 17  1  0  0  0  0
  1  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3 17  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 20  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <NSC>
407286

>  <Release>
October 2011

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

>  <CAS>
476-66-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C14H6O8

>  <Molecular Weight (nearest integer)>
302

>  <dtpname:Chemical Name>
Lagistase

>  <dtpname:Chemical Name>
C.I. 55005

>  <dtpname:Chemical Name>
C.I. 75270

>  <dtpname:Chemical Name>
Eleagic acid

>  <dtpname:Chemical Name>
ELLAGIC ACID

>  <dtpname:Chemical Name>
Elagostasine

>  <dtpname:Chemical Name>
Ellagic acid

>  <dtpname:Chemical Name>
Benzoaric acid

>  <dtpname:Chemical Name>
Alizarine Yellow

>  <dtpname:Chemical Name>
Gallogen, astringent

>  <dtpname:Chemical Name>
Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone

>  <dtpname:Chemical Name>
[1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone

>  <dtpname:9th C.I.>
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-

>  <dtpname:8th C.I.>
[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-

>  <dtpname:VAN>
Gallogen

$$$$
719655
  CML DOM 08121414052D

 30 34  0  0  0  0  0  0  0  0999 V2000
    7.5336    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5336    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8327    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1317    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1317    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8327    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4307    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7298    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7298    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4307    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1564    2.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0380    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1564    4.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2253    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1070    2.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    3.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1235    2.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0051    1.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4969    1.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4307    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4307    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8866    5.9918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1317    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8326    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5336    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6317    2.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1070    4.9635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5336    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    3.2796    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 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6 24  1  6  0  0  0
  7  8  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 22  1  1  0  0  0
 10 20  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  2  0  0  0  0
 24 25  2  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <NSC>
719655

>  <Release>
October 2011

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

>  <CAS>
118974-02-0

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C22H25N3O3

>  <Molecular Weight (nearest integer)>
379

>  <dtpname:Chemical Name>
Fumitremorgin C

$$$$
145118
  CML DOM 08121414052D

 36 37  0  0  0  0  0  0  0  0999 V2000
   10.7632    5.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4267    5.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5835    4.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1276    6.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7257    6.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0254    3.9082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1200    2.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8286    5.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1276    8.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0248    5.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7257    8.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3883    2.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1163    1.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8286    8.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4267    8.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8302    2.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3093    1.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9979    0.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7459    1.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4631    7.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1930    0.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9092    3.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2459    1.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9959    8.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8756    1.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9958    9.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5286    7.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9939    0.5668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8719    2.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3151    7.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4084    4.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5651    5.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1386    6.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1044    4.9502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2949   10.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022    0.7235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
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 32 33  1  0  0  0  0
 11 15  1  0  0  0  0
 31 32  2  0  0  0  0
  6 34  1  0  0  0  0
 26 35  1  0  0  0  0
 28 36  1  0  0  0  0
M  END
>  <NSC>
145118

>  <Release>
October 2011

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

>  <CAS>
23623-31-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C25H33NO7

>  <Molecular Weight (nearest integer)>
460

>  <dtpname:Chemical Name>
T 2636C

>  <dtpname:Chemical Name>
T-2636C

>  <dtpname:Chemical Name>
LANKACIDIN C

>  <dtpname:Chemical Name>
Lankacidin C

$$$$
177406
  CML DOM 08121414052D

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  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 39  1  0  0  0  0
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 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
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 31 32  2  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 37 38  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <NSC>
177406

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H54O8

>  <Molecular Weight (nearest integer)>
591

>  <dtpname:Chemical Name>
X 537A

>  <dtpname:Chemical Name>
ANTIBIOTIC X-536A

$$$$
226080
  CML DOM 08121414052D

 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
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 42 47  1  0  0  0  0
 42 57  1  1  0  0  0
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 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
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 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

$$$$
270914
  CML DOM 08121414052D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
270914

>  <Release>
October 2011

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

>  <CAS>
62288-03-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C24H30O8

>  <Molecular Weight (nearest integer)>
447

>  <dtpname:Chemical Name>
PHOTOBARBATUSIN I

>  <dtpname:Chemical Name>
Photobarbatusin I

>  <dtpname:Chemical Name>
Dehydrocyclobutatusin

>  <dtpname:Chemical Name>
Spiro(cyclobuta[def]phenanthrene-2(1H),1'-cyclopropane)-1,5(4H)-dione, 3,7-bis(acetyloxy)-3,3a,3b,6,6a,7,8,8c-octahydro-3a,8-dihydroxy-2',6,6,8c-tetramethyl-

$$$$
301683
  CML DOM 08121414052D

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M  END
>  <NSC>
301683

>  <Release>
October 2011

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

>  <CAS>
21784-71-4

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C13H10O6

>  <Molecular Weight (nearest integer)>
262

>  <dtpname:Chemical Name>
DAPHNETIN DIACETATE

>  <dtpname:Chemical Name>
Daphnetin diacetate

$$$$
330753
  CML DOM 08121414052D

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M  END
>  <NSC>
330753

>  <Release>
October 2011

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

>  <CAS>
27548-93-2

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C31H38O11

>  <Molecular Weight (nearest integer)>
587

>  <dtpname:Chemical Name>
Baccatin III

$$$$
339555
  CML DOM 08121414052D

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   -1.7926  -17.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7903  -26.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 14  1  0  0  0  0
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  1 65  1  0  0  0  0
 32 66  1  0  0  0  0
 47 67  1  0  0  0  0
 49 68  1  0  0  0  0
M  END
>  <NSC>
339555

>  <Release>
October 2011

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

>  <CAS>
83314-01-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C47H68O17

>  <Molecular Weight (nearest integer)>
905

>  <dtpname:Chemical Name>
B705008K112

>  <dtpname:Chemical Name>
BRYOSTATIN I

>  <dtpname:Chemical Name>
BRYOSTATIN 1

>  <dtpname:Chemical Name>
Bryostatin 1

$$$$
375294
  CML DOM 08121414052D

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

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H22O2

>  <Molecular Weight (nearest integer)>
234

>  <dtpname:Chemical Name>
CONFERTIFOLINE

$$$$
407306
  CML DOM 08121414052D

 27 31  0  0  0  0  0  0  0  0999 V2000
    7.2452    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8524    6.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8561    5.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7213    6.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3315    5.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9580    4.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  2  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 23  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <NSC>
407306

>  <Release>
October 2011

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

>  <CAS>
483-10-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H26N2O3

>  <Molecular Weight (nearest integer)>
354

>  <dtpname:Chemical Name>
Rauhimbin

>  <dtpname:Chemical Name>
Rauhimbine

>  <dtpname:Chemical Name>
Corynanthin

>  <dtpname:Chemical Name>
COYNANTHINE

>  <dtpname:Chemical Name>
Corynanthine

>  <dtpname:9th C.I.>
Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16.beta.,17.alpha.)-

>  <dtpname:8th C.I.>
Yohimban-16.beta.-carboxylic acid, 17.alpha.-hydroxy-, methyl ester

$$$$
150817
  CML DOM 08121414052D

 64 66  0  0  0  0  0  0  0  0999 V2000
    2.0490    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6471    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9365    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 39 52  1  0  0  0  0
 40 42  1  0  0  0  0
 40 49  1  0  0  0  0
 41 42  1  0  0  0  0
 41 48  1  0  0  0  0
 42 51  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 43 63  1  0  0  0  0
 44 47  1  0  0  0  0
 44 64  1  0  0  0  0
 45 46  1  0  0  0  0
 45 61  1  0  0  0  0
 47 62  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  2  0  0  0  0
M  END
>  <NSC>
150817

>  <Release>
October 2011

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

>  <Structure Evaluation>
Inconsistent with Molecular Formula - Could not find formula fragment for C47H75NO16 in C47H75NO18

>  <Molecular Formula in DIS>
C47H75NO18

>  <Molecular Weight (nearest integer)>
942

>  <dtpname:Chemical Name>
Nysert

>  <dtpname:Chemical Name>
Nilstat

>  <dtpname:Chemical Name>
Biofanal

>  <dtpname:Chemical Name>
NYSTATIN

>  <dtpname:Chemical Name>
Nystatin

>  <dtpname:Chemical Name>
Stamicin

>  <dtpname:Chemical Name>
Diastatin

>  <dtpname:Chemical Name>
O-V Statin

>  <dtpname:Chemical Name>
Korostatin

>  <dtpname:Chemical Name>
Stamicina (stamycin)

$$$$
177858
  CML DOM 08121414052D

 62 67  0  0  0  0  0  0  0  0999 V2000
    1.4834    3.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3806    5.4394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6796    7.6894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6796    1.6894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9787    3.9394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9786    2.4394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2777    6.1894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5767    6.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5767    2.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8758    3.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1748    5.4393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0138    7.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2790   -2.2638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4608    4.6893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9608    4.6893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7452    2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5767    5.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8758    6.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6794    7.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2895    6.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1876    7.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9786    5.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6796    6.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3476    6.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8099    6.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0815    6.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    5.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824    3.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0815    3.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3806    3.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6796    3.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8099    3.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3475    3.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1748    3.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5767    3.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2777    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6139   -1.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8739   -2.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7991   -3.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4643   -4.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2043   -3.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5726   12.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1631   12.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0140   11.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2744   10.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6840    9.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8331   10.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0214   10.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2777    1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5767    0.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5767   -0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2776   -1.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9786   -0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9786    0.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2777    7.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2087   -1.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0627    2.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0138    1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7148    0.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0496    1.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7452    7.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2284    6.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  2  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  2 30  1  0  0  0  0
  3 23  2  0  0  0  0
  4 31  2  0  0  0  0
  5 31  1  0  0  0  0
  5 36  1  0  0  0  0
  5  6  1  0  0  0  0
  7 17  1  0  0  0  0
  7 22  1  0  0  0  0
  7 55  1  0  0  0  0
  8 17  2  0  0  0  0
  9 35  2  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 20  1  0  0  0  0
 11 18  1  0  0  0  0
 11 24  1  0  0  0  0
 12 24  2  0  0  0  0
 13 37  2  0  0  0  0
 13 41  1  0  0  0  0
 14 25  1  0  0  0  0
 14 32  1  0  0  0  0
 14 15  1  0  0  0  0
 16 32  2  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 24 25  1  0  0  0  0
 25 61  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 58  1  0  0  0  0
 34 57  1  0  0  0  0
 35 36  1  0  0  0  0
 36 49  1  0  0  0  0
 37 38  1  0  0  0  0
 37 59  1  0  0  0  0
 38 39  2  0  0  0  0
 38 56  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 42 43  2  0  0  0  0
 42 47  1  0  0  0  0
 42 48  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 49 50  2  0  0  0  0
 49 54  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 61 62  1  0  0  0  0
M  END
>  <NSC>
177858

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C43H49N7O10

>  <Molecular Weight (nearest integer)>
824

>  <dtpname:Chemical Name>
Staphylomycin S

>  <dtpname:Chemical Name>
Staphylomycin S1

>  <dtpname:Chemical Name>
Antibiotic 1754Z3B

>  <dtpname:Chemical Name>
N-[(3-Hydroxy-2-pyridinyl)carbonyl]-L-threonyl- D-2-aminobutanoyl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo- L-2-piperidinecarbonyl-L-2-phenylglycine .rho.-lactone

>  <dtpname:Chemical Name>
Glycine, N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl- D-2-aminobutanoyl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-2-piperidinecarbonyl-L-2-phenyl-, .rho.-lactone

>  <dtpname:9th C.I.>
VirginiamycinVirginiamycin S1

$$$$
250429
  CML DOM 08121414052D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -1.9580   -0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580   -1.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439   -1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279   -1.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279   -0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1439    0.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861   -1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861    0.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2461    0.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0161    1.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9561    1.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8961    1.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1870    2.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4261    3.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6661    2.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1109   -0.8324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908   -2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -2.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9569   -2.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861   -2.2644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9961   -0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0891    2.9805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  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
  5 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  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 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 26  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <NSC>
250429

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H28O6

>  <Molecular Weight (nearest integer)>
364

>  <dtpname:Chemical Name>
DODECAHYDRO-8''-HYDROXY-1'',6''-DIMETHYLDISPIRO[FURAN-3(2H),2'(5'H)-FURAN-5',5''-[5H-1,4A](METHANOXYMETHANO)NAPHTHALEN]-2,9''-DIONE

$$$$
284200
  CML DOM 08121414052D

 24 23  0  0  0  0  0  0  0  0999 V2000
    1.5000    2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414    1.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4544    2.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4902    3.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0033    5.1286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870    3.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    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
    8.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    2.0490    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
   14.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7500    3.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7500    0.7500    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <NSC>
284200

>  <Release>
October 2011

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

>  <CAS>
544-62-7

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C21H44O3

>  <Molecular Weight (nearest integer)>
345

>  <dtpname:Chemical Name>
Batilol

>  <dtpname:Chemical Name>
BATYL ALCOHOL

>  <dtpname:Chemical Name>
BATYL ALCOHOL

>  <dtpname:Chemical Name>
Batyl alcohol

>  <dtpname:Chemical Name>
Stearyl monoglyceride

>  <dtpname:Chemical Name>
1-O-Octadecylglycerol

>  <dtpname:Chemical Name>
C18:0 Glyceryl 1-ether

>  <dtpname:Chemical Name>
Glyceryl-1-octadecyl ether

>  <dtpname:Chemical Name>
Glycerol 1-octadecyl ether

>  <dtpname:Chemical Name>
Glycerol monooctadecyl ether

>  <dtpname:Chemical Name>
3-(Octadecyloxy)-1,2-propanediol

>  <dtpname:Chemical Name>
.alpha.-Octadecylether of glycerol

>  <dtpname:Chemical Name>
1-(Octadecyloxy)-2,3-dihydroxypropane

>  <dtpname:Chemical Name>
WLN: Q1YQ1O18

>  <dtpname:9th C.I.>
1,2-Propanediol, 3-(octadecyloxy)-

>  <dtpname:8th C.I.>
1,2-Propanediol, 3-(octadecyloxy)-

$$$$
302289
  CML DOM 08121414052D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -5.8573   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4554   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5583   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7544   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5583   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7500   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4554   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1563   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6681   -5.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  2  0  0  0  0
  4 13  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  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
 12 15  1  0  0  0  0
M  END
>  <NSC>
302289

>  <Release>
October 2011

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

>  <CAS>
80367-94-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20O2

>  <Molecular Weight (nearest integer)>
232

>  <dtpname:Chemical Name>
BOHLMANN K2631

$$$$
332598
  CML DOM 08121414052D

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   14.2742   -7.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 50 18  1  6  0  0  0
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 22 21  1  6  0  0  0
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 31 32  2  0  0  0  0
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 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 55 33  1  6  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
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 36 41  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  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
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 58 43  1  6  0  0  0
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 59 44  1  6  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
M  END
>  <NSC>
332598

>  <Release>
October 2011

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

>  <CAS>
90996-54-6

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C35H47NO9

>  <Molecular Weight (nearest integer)>
626

>  <dtpname:Chemical Name>
RHIZOXIN

>  <dtpname:Chemical Name>
RHIZOXIN

>  <dtpname:Chemical Name>
4,7,12,18-Tetraoxatetracyclo[15.3.1.03,5.011,13] heneicos-14-ene-6,19-dione, 10-hydroxy-8-[2-methoxy- 1,3,7-trimethyl-8-(2-methyl-4-oxazolyl)-3,5,7- octatrienyl]-11,16-dimethyl-, [1S-[1R*,3R*,5S*, 8R*(1R*,2S*,3E,5E,7E),10R*,11S*,13S*,14E,16S*,17S*]]-

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

$$$$
345647
  CML DOM 08121414052D

 40 45  0  0  0  0  0  0  0  0999 V2000
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    4.6680    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    9.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9670    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2661    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2661    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2661    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 28  1  0  0  0  0
 22 24  2  0  0  0  0
 22 30  1  0  0  0  0
 23 29  1  0  0  0  0
 23 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 39  1  0  0  0  0
 28 30  1  0  0  0  0
 28 40  1  0  0  0  0
 29 38  1  0  0  0  0
 30 37  1  0  0  0  0
M  END
>  <NSC>
345647

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H26O10

>  <Molecular Weight (nearest integer)>
547

>  <dtpname:Chemical Name>
CHAETOCHROMIN

>  <dtpname:Chemical Name>
Chaetochromin

>  <dtpname:Chemical Name>
[9,9'-Bi-4H-naphtho[2,3-b]pyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-

>  <dtpname:Chemical Name>
[9,9'-bi-4H-Naphtho[2,3-b]pyran]-4,4'-dione, 2,2',3,3'-tetrahydro-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-

$$$$
376248
  CML DOM 08121414052D

 36 42  0  0  0  0  0  0  0  0999 V2000
  -14.2828    0.7385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7876    7.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0866    8.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0866    9.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7876   10.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4885    9.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4885    8.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 24  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 17  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  2  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  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
M  END
>  <NSC>
376248

>  <Release>
October 2011

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

>  <CAS>
35290-22-3

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C31H22O5

>  <Molecular Weight (nearest integer)>
475

>  <dtpname:Chemical Name>
NORDRACORUBIN

>  <dtpname:Chemical Name>
Nordracorubin

$$$$
526417
  CML DOM 08121414052D

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 38 62  1  0  0  0  0
 39 47  1  0  0  0  0
 39 49  1  0  0  0  0
 39 63  1  0  0  0  0
 40 60  1  0  0  0  0
 40 64  2  0  0  0  0
 41 61  1  0  0  0  0
 41 65  2  0  0  0  0
 42 57  1  0  0  0  0
 42 66  2  0  0  0  0
 43 56  1  0  0  0  0
 43 67  2  0  0  0  0
 44 62  1  0  0  0  0
 44 68  2  0  0  0  0
 45 63  1  0  0  0  0
 45 69  2  0  0  0  0
 46 70  2  0  0  0  0
 46 74  1  0  0  0  0
 47 71  2  0  0  0  0
 47 75  1  0  0  0  0
 50 58  1  0  0  0  0
 50 72  2  0  0  0  0
 51 59  1  0  0  0  0
 51 73  2  0  0  0  0
 56 78  1  0  0  0  0
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 58 80  1  0  0  0  0
 59 81  1  0  0  0  0
M  END
>  <NSC>
526417

>  <Release>
October 2011

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

>  <CAS>
512-64-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C51H64N12O12S2

>  <Molecular Weight (nearest integer)>
1101

>  <dtpname:Chemical Name>
Levomycin

>  <dtpname:Chemical Name>
ECHINOMYCIN

>  <dtpname:Chemical Name>
ECHINOMYCIN

>  <dtpname:Chemical Name>
Echinomycin A

>  <dtpname:Chemical Name>
S-426-S (Lepetit)

>  <dtpname:Chemical Name>
2-Quinoxalinecarboxmide, N,N'-[2,4,12,15,17,25-hexamethyl-11,24-bis(1-methylethyl) -27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa -28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosan e-7,20-diyl]bis-

>  <dtpname:Chemical Name>
WLN: T C-16-6-16-/CE& A B C- C- 2CP E& AS CX C-S DNV GMV KOV NNV PXNV TMV A&OV D&NVTJ D1

>  <dtpname:9th C.I.>
Quinomycin A

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

$$$$
153858
  CML DOM 08121414052D

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    6.4945    7.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9210    7.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2201    8.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7119    8.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143    9.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4320    5.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7386    3.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596    2.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3757    4.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4730    2.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5433    1.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0568   11.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8077   12.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3377    8.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6881   15.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5156    9.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3905   12.5185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 37  2  0  0  0  0
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 21 22  1  0  0  0  0
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 23 27  2  0  0  0  0
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 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 32  1  0  0  0  0
 29 38  1  6  0  0  0
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 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 45 46  1  0  0  0  0
 50 51  1  0  0  0  0
M  END
>  <NSC>
153858

>  <Release>
October 2011

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

>  <CAS>
35846-53-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C34H46ClN3O10

>  <Molecular Weight (nearest integer)>
692

>  <dtpname:Chemical Name>
MTS

>  <dtpname:Chemical Name>
Maysanine

>  <dtpname:Chemical Name>
Maytansin

>  <dtpname:Chemical Name>
MAYTANSINE

>  <dtpname:Chemical Name>
NSC 153858

>  <dtpname:Chemical Name>
MAYTANSINE

>  <dtpname:Chemical Name>
MAYTANSINE

>  <dtpname:Chemical Name>
Maitansine

>  <dtpname:Chemical Name>
Maytansine

>  <dtpname:Chemical Name>
Alanine, N-acetyl-N-methyl-, 6-ester with 11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1(10,24).0(3,5)]hexacosa-10,12,14[26],16,18-pentaene-8,23-dione

>  <dtpname:Chemical Name>
L-Alanine, N-acetyl-N-methyl-, 11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl ester, [1S-(1R*,2S*,3R*,5R*,6R*,16E,18E,20S*,21R*)]-

>  <dtpname:9th C.I.>
Maytansine(USAN

>  <dtpname:9th C.I.>
Maytansine (USAN)

$$$$
180515
  CML DOM 08121414052D

 14 14  0  0  0  0  0  0  0  0999 V2000
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   -2.3967    1.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9267   -0.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0338    0.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4963   -1.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745   -1.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6041   -3.4479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4698    1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9247    2.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9526    1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
180515

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C10H12O4

>  <Molecular Weight (nearest integer)>
196

>  <dtpname:Chemical Name>
VERMICULINE

>  <dtpname:Chemical Name>
Vermiculine

$$$$
250430
  CML DOM 08121414052D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.8990    2.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8990    3.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009    3.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3009    2.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1981    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4971    2.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4971    3.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1981    4.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    3.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7961    4.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1080   -0.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7961    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2099    1.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1981   -0.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6512   -5.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8714   -2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4655    2.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5826    0.5197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  6  0  0  0
 15 33  1  6  0  0  0
 16 17  2  0  0  0  0
 16 25  1  0  0  0  0
 17 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 27 28  2  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <NSC>
250430

>  <Release>
October 2011

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

>  <CAS>
32986-79-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C26H28O5

>  <Molecular Weight (nearest integer)>
421

>  <dtpname:Chemical Name>
(7AR-CIS)-7A,12A-DIHYDRO-13-METHOXY-3,3-DIMETHYL-11-(3-METHYL-2-BUTENYL)-3H,7H-BENZOFURO[3,2-C]PYRANO[3,2-G][1]BENZOPYRAN-10-OL

$$$$
284437
  CML DOM 08121414052D

 18 21  0  0  0  0  0  0  0  0999 V2000
   -2.1299   -6.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9972   -3.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2845   -2.8723    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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 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 14 18  1  0  0  0  0
  5  7  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <NSC>
284437

>  <Release>
October 2011

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

>  <CAS>
87480-01-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C15H20O3

>  <Molecular Weight (nearest integer)>
248

>  <dtpname:Chemical Name>
QUADRONE

>  <dtpname:Chemical Name>
Quadrone

>  <dtpname:Chemical Name>
6,8b-Ethano-8bH-indeno[1,7-cd]pyran-1,4-dione, octahydro-10,10-dimethyl-

>  <dtpname:Chemical Name>
6,8b-Ethano-8bH-indeno[1,7-cd]pyran-1,4-dione, octahydro-10,10-dimethyl-, (3a.alpha.,5a.beta.,6.alpha.,8a.alpha.,8b.alpha.)-

>  <dtpname:9th C.I.>
6,8b-Ethano-8bH-cyclopenta[de]-2-benzopyran-1,4-dione, octahydro-10,10-dimethyl-, (3a.alpha.,5a.beta.,6.alpha.,8a.alpha.,8b.alpha.)-

$$$$
305222
  CML DOM 08121414052D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <NSC>
305222

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C30H39NO5

>  <Molecular Weight (nearest integer)>
494

>  <dtpname:Chemical Name>
Cytochalasin H

>  <dtpname:Chemical Name>
Kodocytochalasin 1

>  <dtpname:Chemical Name>
[11]Cytochalasa-6(12),13,19-trien-1-one, 21-(acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-

>  <dtpname:9th C.I.>
1H-Cycloundec[d]isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro- 6,12-dihydroxy-4,10,12-trimethyl-5-methylene- 3-(phenylmethyl)-, (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-

$$$$
332876
  CML DOM 08121414052D

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M  END
>  <NSC>
332876

>  <Release>
October 2011

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

>  <CAS>
18676-07-8

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C20H30O3

>  <Molecular Weight (nearest integer)>
318

>  <dtpname:Chemical Name>
HISPANOLONE

$$$$
349438
  CML DOM 08121414052D

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M  END
>  <NSC>
349438

>  <Release>
October 2011

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

>  <CAS>
55659-41-1

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C9H12O3

>  <Molecular Weight (nearest integer)>
168

>  <dtpname:Chemical Name>
4-IPOMEANOL

>  <dtpname:Chemical Name>
4-IPOMEANOL

>  <dtpname:Chemical Name>
4-Ipomeanol

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

$$$$
382796
  CML DOM 08121414052D

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M  END
>  <NSC>
382796

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C31H25N3O7

>  <Molecular Weight (nearest integer)>
552

$$$$
614552
  CML DOM 08121414052D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <NSC>
614552

>  <Release>
October 2011

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

>  <Structure Evaluation>
Consistent with Molecular Formula

>  <Molecular Formula in DIS>
C8H15NO4

>  <Molecular Weight (nearest integer)>
189

>  <dtpname:Chemical Name>
CASTANOSPERMINE

>  <dtpname:Chemical Name>
Castanospermine

$$$$
