740
  CML DOM 05031709562D

 33 35  0  0  0  0  0  0  0  0999 V2000
    5.4323    3.4545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4323    0.4545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304    3.4545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3295    1.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3295    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7314    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7314    1.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304    0.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333    1.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0628    1.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619    0.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362    0.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362   -1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619   -1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0628   -1.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8571   -1.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5580   -1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2590   -1.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6609   -1.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6609   -3.2955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352    1.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8343    0.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9599   -1.0455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6285    3.4545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304   -1.0455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2590   -3.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5580   -4.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9599   -4.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1561   -1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4551   -1.7955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1561    0.4545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1  6  1  0  0  0  0
  2 10  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 19 18  1  6  0  0  0
 19 25  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <NSC>
740

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
59-05-2

>  <Molecular Formula in DIS>
C20H22N8O5

>  <Molecular Weight (nearest integer)>
454

>  <dtpname:USAN>
Methotrexate

>  <dtpname:Brand Name>
Trexall

>  <dtpname:Brand Name>
Abitrexate

>  <dtpname:Brand Name>
Mexate

>  <dtpname:Brand Name>
Folex

>  <dtpname:Chemical Name>
Amethopterin

>  <dtpname:Chemical Name>
MTX

>  <dtpname:Chemical Name>
HDMTX

>  <dtpname:Chemical Name>
Methylaminopterin

>  <dtpname:Chemical Name>
Metatrexan

>  <dtpname:Chemical Name>
Methopterin

>  <dtpname:Chemical Name>
R 9985

>  <dtpname:Chemical Name>
CL 14377

>  <dtpname:Chemical Name>
EMT 25,299

>  <dtpname:Chemical Name>
NCI-C04671

>  <dtpname:Chemical Name>
METHOTREXATE

>  <dtpname:Chemical Name>
METHOTREXATE

>  <dtpname:Chemical Name>
WLN: T66 BN DN GN JNJ CZ EZ H1N1&R DVMYVQ2VQ

>  <dtpname:9th C.I.>
L-Glutamic acid, N-[4-[[2,4-diamino-6-pteridinyl)methyl]- methylamino]benzoyl]-

>  <dtpname:8th C.I.>
Glutamic acid, N-[p-[[(2,4-diamino-6-pteridinyl)methyl] methylamino]benzoyl]-, L-(+)-

$$$$
750
  CML DOM 05031709562D

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

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
55-98-1

>  <Molecular Formula in DIS>
C6H14O6S2

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:USAN>
Busulfan

>  <dtpname:Brand Name>
Myleran

>  <dtpname:Brand Name>
Busulfex

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

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

>  <dtpname:Chemical Name>
GT 41

>  <dtpname:Chemical Name>
X 149

>  <dtpname:Chemical Name>
Mablin

>  <dtpname:Chemical Name>
NSC-750

>  <dtpname:Chemical Name>
NSC 750

>  <dtpname:Chemical Name>
Mileran

>  <dtpname:Chemical Name>
MYLERAN

>  <dtpname:Chemical Name>
GT 2041

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

>  <dtpname:Chemical Name>
CB 2041

>  <dtpname:Chemical Name>
Mielosan

>  <dtpname:Chemical Name>
Misulban

>  <dtpname:Chemical Name>
Mitostan

>  <dtpname:Chemical Name>
AN 33501

>  <dtpname:Chemical Name>
Myelosan

>  <dtpname:Chemical Name>
Buzulfan

>  <dtpname:Chemical Name>
Mielucin

>  <dtpname:Chemical Name>
Mylecytan

>  <dtpname:Chemical Name>
Busulphan

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

>  <dtpname:Chemical Name>
Mielevcin

>  <dtpname:Chemical Name>
Milecitan

>  <dtpname:Chemical Name>
NCI-C01592

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

>  <dtpname:Chemical Name>
Citosulfan

>  <dtpname:Chemical Name>
Leucosulfan

>  <dtpname:Chemical Name>
Myeloleukon

>  <dtpname:Chemical Name>
Sulphabutin

>  <dtpname:Chemical Name>
NSC-750sulphabutin

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

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

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

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

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

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

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

>  <dtpname:Chemical Name>
Tetramethylene dimethane sulfonate

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

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

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

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

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

>  <dtpname:VAN>
Sulfabutin

$$$$
752
  CML DOM 05031709562D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.1461   -0.0010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2154   -1.7394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6059    2.5403    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482   -3.1660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5383    3.1836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5383    1.6836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2883   -0.6247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1424    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248    0.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7883   -0.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519    0.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6826   -1.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6863   -2.5423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  2  4  1  0  0  0  0
  3  8  2  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
752

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
154-42-7

>  <Molecular Formula in DIS>
C5H5N5S

>  <Molecular Weight (nearest integer)>
167

>  <dtpname:USAN>
Thioguanine

>  <dtpname:USAN>
6-Thioguanine

>  <dtpname:Brand Name>
Lanvis

>  <dtpname:Brand Name>
Tioguanine

>  <dtpname:Chemical Name>
6-Mercaptoguanine

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

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

>  <dtpname:Chemical Name>
Tioguanin

>  <dtpname:Chemical Name>
TG

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

>  <dtpname:Chemical Name>
X 27

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

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

>  <dtpname:Chemical Name>
BW 5071

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

>  <dtpname:Chemical Name>
Tabloid

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

>  <dtpname:Chemical Name>
Thioguanine

>  <dtpname:Chemical Name>
Wellcome U3B

>  <dtpname:Chemical Name>
6-THIOGUANINE

>  <dtpname:Chemical Name>
NSC 752

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

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

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

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

>  <dtpname:VAN>
Thioguanine

>  <dtpname:VAN>
Guanine, thio-

$$$$
755
  CML DOM 05031709562D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.3699   -0.2128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8297    2.3285    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4392   -1.9513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243   -3.3778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3145    1.4717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3145    2.9717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0645   -0.8365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3662    0.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1010    0.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5645   -0.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5281    0.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064   -1.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <NSC>
755

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
50-44-2

>  <Molecular Formula in DIS>
C5H4N4S

>  <Molecular Weight (nearest integer)>
152

>  <dtpname:USAN>
Mercaptopurine

>  <dtpname:Chemical Name>
6-Purinethiol

>  <dtpname:Chemical Name>
6-Mercaptopurine

>  <dtpname:Chemical Name>
6-Thiopurine

>  <dtpname:Chemical Name>
Purinethol

>  <dtpname:Chemical Name>
6-MP

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

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

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

>  <dtpname:Chemical Name>
Ismipur

>  <dtpname:Chemical Name>
MP

>  <dtpname:Chemical Name>
Leukeran

>  <dtpname:Chemical Name>
Leukerin

>  <dtpname:Chemical Name>
Leupurin

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

>  <dtpname:Chemical Name>
Mercapurin

>  <dtpname:Chemical Name>
Purimethol

>  <dtpname:Chemical Name>
Mercaleukin

>  <dtpname:Chemical Name>
Mern

>  <dtpname:Chemical Name>
6-Thioxopurine

>  <dtpname:Chemical Name>
U-4748

>  <dtpname:Chemical Name>
6-Mercaptopurin

>  <dtpname:Chemical Name>
NCI-C04886

>  <dtpname:Chemical Name>
6 MP

>  <dtpname:Chemical Name>
Puri-Nethol

>  <dtpname:Chemical Name>
Mercaleukim

>  <dtpname:Chemical Name>
NSC 755

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

>  <dtpname:Chemical Name>
6-MERCAPTOPURINE

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

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

>  <dtpname:VAN>
Purinethiol

>  <dtpname:VAN>
Hypoxanthine, thio-

$$$$
762
  CML DOM 05031709562D

  9  7  0  0  0  0  0  0  0  0999 V2000
   -3.8971   -0.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   -0.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.8333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <NSC>
762

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
55-86-7

>  <Molecular Formula in DIS>
C5H11Cl2N.ClH

>  <Molecular Weight (nearest integer)>
193

>  <dtpname:USAN>
Mechlorethamine hydrochloride

>  <dtpname:Brand Name>
Mustargen hydrochloride

>  <dtpname:Chemical Name>
HN2

>  <dtpname:Chemical Name>
Nitrogen mustard hydrochloride

>  <dtpname:Chemical Name>
Dichloromethyldiethylamine hydrochloride

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

>  <dtpname:Chemical Name>
HN2 hydrochloride

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

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

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

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

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

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

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

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

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

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

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

>  <dtpname:Chemical Name>
Azotoyperite

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

>  <dtpname:Chemical Name>
Mitoxine

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

>  <dtpname:Chemical Name>
Carolysine

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

>  <dtpname:Chemical Name>
Caryolysine

>  <dtpname:Chemical Name>
MBA hydrochloride

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

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

>  <dtpname:Chemical Name>
Dema

>  <dtpname:Chemical Name>
Nitol

>  <dtpname:Chemical Name>
SK 101

>  <dtpname:Chemical Name>
N-Lost

>  <dtpname:Chemical Name>
C 6866

>  <dtpname:Chemical Name>
Erasol

>  <dtpname:Chemical Name>
Dimitan

>  <dtpname:Chemical Name>
Embichin

>  <dtpname:Chemical Name>
Erasol hydrochloride

>  <dtpname:Chemical Name>
Mustine hydrochloride

>  <dtpname:Chemical Name>
NSC-762 hydrochloride

>  <dtpname:Chemical Name>
Embichin hydrochloride

>  <dtpname:Chemical Name>
Chloramin hydrochloride

>  <dtpname:Chemical Name>
Dichloren hydrochloride

>  <dtpname:Chemical Name>
Caryolysine hydrochloride

>  <dtpname:Chemical Name>
Chlormethine hydrochloride

>  <dtpname:Chemical Name>
Mechorethamine hydrochloride

>  <dtpname:Chemical Name>
Nitrogranulogen hydrochloride

>  <dtpname:Chemical Name>
Embikhine

>  <dtpname:Chemical Name>
Dichloren

>  <dtpname:Chemical Name>
Embechine

>  <dtpname:Chemical Name>
Erasol-Ido

>  <dtpname:Chemical Name>
NCI-C56382

>  <dtpname:Chemical Name>
Nitol takeda

>  <dtpname:Chemical Name>
Chlorethazine

>  <dtpname:Chemical Name>
Chlormethinum

>  <dtpname:Chemical Name>
NM

>  <dtpname:Chemical Name>
Chlorethamine

>  <dtpname:Chemical Name>
Mebichloramine

>  <dtpname:Chemical Name>
Stickstofflost

>  <dtpname:Chemical Name>
Nitol "takeda"

>  <dtpname:Chemical Name>
Nitrogranulogen

>  <dtpname:Chemical Name>
Mustine hydrochlor

>  <dtpname:Chemical Name>
Nitrogen Mustard hydrochloride

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

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

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

>  <dtpname:VAN>
Kloramin

>  <dtpname:VAN>
Chloramin

>  <dtpname:VAN>
Chloramine

$$$$
1390
  CML DOM 05031709562D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -3.4022   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1032   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8041    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8041   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215    1.3685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8032    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4949    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4949   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8041   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215   -1.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1032    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  3  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <NSC>
1390

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
315-30-0

>  <Molecular Formula in DIS>
C5H4N4O

>  <Molecular Weight (nearest integer)>
136

>  <dtpname:USAN>
Allopurinol

>  <dtpname:Brand Name>
Lopurin

>  <dtpname:Chemical Name>
4-HPP

>  <dtpname:Chemical Name>
HPP

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

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

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

>  <dtpname:Chemical Name>
Uripurinol

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

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

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

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

>  <dtpname:Chemical Name>
BW 56-158

>  <dtpname:Chemical Name>
BW 56158

>  <dtpname:Chemical Name>
Zyloprim

>  <dtpname:Chemical Name>
Gotax

>  <dtpname:Chemical Name>
Urbol

>  <dtpname:Chemical Name>
Geapur

>  <dtpname:Chemical Name>
Urosin

>  <dtpname:Chemical Name>
Apurol

>  <dtpname:Chemical Name>
Urolit

>  <dtpname:Chemical Name>
Anzief

>  <dtpname:Chemical Name>
Foligan

>  <dtpname:Chemical Name>
Milurit

>  <dtpname:Chemical Name>
Allopur

>  <dtpname:Chemical Name>
Uriprim

>  <dtpname:Chemical Name>
Progout

>  <dtpname:Chemical Name>
Zyloric

>  <dtpname:Chemical Name>
Ailural

>  <dtpname:Chemical Name>
Embarin

>  <dtpname:Chemical Name>
Xanturat

>  <dtpname:Chemical Name>
Uricemil

>  <dtpname:Chemical Name>
Bleminol

>  <dtpname:Chemical Name>
Bloxanth

>  <dtpname:Chemical Name>
Atisuril

>  <dtpname:Chemical Name>
Alositol

>  <dtpname:Chemical Name>
Ketobun-A

>  <dtpname:Chemical Name>
Epidropal

>  <dtpname:Chemical Name>
Anoprolin

>  <dtpname:Chemical Name>
Allopurinol(I)

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

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

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

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

$$$$
3053
  CML DOM 05031709562D

 90 96  0  0  0  0  0  0  0  0999 V2000
   -1.2999   -5.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2999   -4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6137    3.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6556    2.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2655    3.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0132   -2.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009   -6.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1953   -6.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009   -3.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4943   -4.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2982   -4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4944   -5.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2982   -5.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8963   -4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8963   -5.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1402   -2.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9514    1.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6272   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0327    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6076   -4.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0490   -3.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4644    0.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5913   -0.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5100    0.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1304   -4.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5197    2.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1206   -5.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009   -1.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5972   -3.4367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5002   -1.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5718   -3.4240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4742    1.6932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7934   -6.4366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5620   -5.0940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9416   -0.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0783    1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0230   -0.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1662   -5.4616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2982   -1.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5972   -6.4367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6174   -2.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1953   -7.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008   -7.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760   -3.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5978   -6.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1564   -7.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0588   -2.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4839    3.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425    2.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0230   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7934   -3.4366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1499   -0.9725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9192    5.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2616    6.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1598    4.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9315    7.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1953   -3.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3829    1.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    6.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2338    0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1543    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0110    5.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3410    7.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3729    7.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8243    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8938    4.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2715    3.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0052    1.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1601    6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1953   -1.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7824    6.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6015    5.6864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4843    4.7841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4901    8.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124    8.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6752   -0.1606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0429    5.2352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6811    3.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962   -1.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1224    2.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7925    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5697    5.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8996    7.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4524    4.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5957    2.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2657    0.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0429    5.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0686   -0.3444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5638    2.2808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4943   -1.1867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
 17  4  1  6  0  0  0
  5 32  1  0  0  0  0
  6 21  1  0  0  0  0
  6 30  1  0  0  0  0
  7 13  2  0  0  0  0
  7 43  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  2  0  0  0  0
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  9 11  2  0  0  0  0
  9 28  1  0  0  0  0
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 11 13  1  0  0  0  0
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 12 33  2  0  0  0  0
 13 40  1  0  0  0  0
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 14 29  2  0  0  0  0
 14 57  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  1  0  0  0  0
 16 41  1  0  0  0  0
 16 44  1  6  0  0  0
 17 22  1  0  0  0  0
 17 32  1  0  0  0  0
 18 23  1  0  0  0  0
 18 52  1  1  0  0  0
 19 24  1  0  0  0  0
 19 26  1  1  0  0  0
 19 88  1  0  0  0  0
 20 25  1  0  0  0  0
 20 27  1  6  0  0  0
 20 31  1  0  0  0  0
 21 31  1  0  0  0  0
 21 34  2  0  0  0  0
 22 30  1  0  0  0  0
 22 35  2  0  0  0  0
 23 36  2  0  0  0  0
 23 88  1  0  0  0  0
 24 32  1  0  0  0  0
 24 37  2  0  0  0  0
 25 38  2  0  0  0  0
 25 41  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 39  2  0  0  0  0
 28 52  1  0  0  0  0
 30 50  1  0  0  0  0
 31 47  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 59 54  1  1  0  0  0
 55 73  1  0  0  0  0
 56 63  1  0  0  0  0
 56 71  1  0  0  0  0
 57 70  1  0  0  0  0
 58 60  1  0  0  0  0
 58 80  1  0  0  0  0
 58 81  1  1  0  0  0
 59 64  1  0  0  0  0
 59 73  1  0  0  0  0
 60 65  1  0  0  0  0
 60 90  1  6  0  0  0
 61 66  1  0  0  0  0
 61 68  1  6  0  0  0
 61 89  1  0  0  0  0
 62 67  1  0  0  0  0
 62 69  1  1  0  0  0
 62 72  1  0  0  0  0
 63 72  1  0  0  0  0
 63 74  2  0  0  0  0
 64 71  1  0  0  0  0
 64 75  2  0  0  0  0
 65 76  2  0  0  0  0
 65 89  1  0  0  0  0
 66 73  1  0  0  0  0
 66 77  2  0  0  0  0
 67 78  2  0  0  0  0
 67 80  1  0  0  0  0
 68 85  1  0  0  0  0
 68 86  1  0  0  0  0
 69 82  1  0  0  0  0
 69 83  1  0  0  0  0
 70 79  2  0  0  0  0
 70 90  1  0  0  0  0
 71 87  1  0  0  0  0
 72 84  1  0  0  0  0
M  END
>  <NSC>
3053

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
50-76-0

>  <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

$$$$
3088
  CML DOM 05031709562D

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.2051    0.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0939    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5041    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5041   -1.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0939   -1.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8032    0.9079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4013    0.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7003    0.1579    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8032    2.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022    3.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022    4.6579    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6920   -1.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9910   -2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2901   -1.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5891   -2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2901    0.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  5 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <NSC>
3088

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
305-03-3

>  <Molecular Formula in DIS>
C14H19Cl2NO2

>  <Molecular Weight (nearest integer)>
304

>  <dtpname:USAN>
Chlorambucil

>  <dtpname:Brand Name>
Leukeran

>  <dtpname:Brand Name>
Ambochlorin

>  <dtpname:Chemical Name>
Phenylbutyric acid nitrogen mustard

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

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

>  <dtpname:Chemical Name>
CB 1348

>  <dtpname:Chemical Name>
Elcoril

>  <dtpname:Chemical Name>
Ecloril

>  <dtpname:Chemical Name>
Cb l348

>  <dtpname:Chemical Name>
NSC 3088

>  <dtpname:Chemical Name>
Leukoran

>  <dtpname:Chemical Name>
Leukersan

>  <dtpname:Chemical Name>
NCI-C03485

>  <dtpname:Chemical Name>
Amboclorin

>  <dtpname:Chemical Name>
Chlorbutin

>  <dtpname:Chemical Name>
Linfolizin

>  <dtpname:Chemical Name>
Linfolysin

>  <dtpname:Chemical Name>
Chlorbutine

>  <dtpname:Chemical Name>
Chlorobutin

>  <dtpname:Chemical Name>
CHLORAMBUCIL

>  <dtpname:Chemical Name>
Chlorobutine

>  <dtpname:Chemical Name>
Chloroambucil

>  <dtpname:Chemical Name>
Chloraminophen

>  <dtpname:Chemical Name>
Chloraminophene

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

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

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

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

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

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

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

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

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

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

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

>  <dtpname:Chemical Name>
WLN: QV3R DN2G2G

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

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

$$$$
6396
  CML DOM 05031709562D

 11 13  0  0  0  0  0  0  0  0999 V2000
   -1.0445    1.1908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545    0.4408    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.0045    1.7398    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4955   -0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535   -0.3092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535   -0.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3035   -1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7945    2.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5445    1.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4955   -2.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7945   -1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  5  1  0  0  0  0
  2  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
6396

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
52-24-4

>  <Molecular Formula in DIS>
C6H12N3PS

>  <Molecular Weight (nearest integer)>
189

>  <dtpname:USAN>
Thiotepa

>  <dtpname:Brand Name>
Thioplex

>  <dtpname:Chemical Name>
Triethylene thiophosphoramide

>  <dtpname:Chemical Name>
Thiophosphamide

>  <dtpname:Chemical Name>
TSPA

>  <dtpname:Chemical Name>
Triethylenethiophosphoramide

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

>  <dtpname:Chemical Name>
Thiotriethylenephosphoramide

>  <dtpname:Chemical Name>
Thio-tepa

>  <dtpname:Chemical Name>
Triaziridinylphosphine sulfide

>  <dtpname:Chemical Name>
Triethylenethiophosphorotriamide

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

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

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

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

>  <dtpname:Chemical Name>
Phosphorothioic acid triethylenetriamide

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

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

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

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

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

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

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

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

>  <dtpname:Chemical Name>
TESPA

>  <dtpname:Chemical Name>
Tespa

>  <dtpname:Chemical Name>
STEPA

>  <dtpname:Chemical Name>
Thio-Tep

>  <dtpname:Chemical Name>
TIO TEF

>  <dtpname:Chemical Name>
Tio-tef

>  <dtpname:Chemical Name>
SK 6882

>  <dtpname:Chemical Name>
Tifosyl

>  <dtpname:Chemical Name>
Thiotef

>  <dtpname:Chemical Name>
Tespamin

>  <dtpname:Chemical Name>
Girostan

>  <dtpname:Chemical Name>
Oncotepa

>  <dtpname:Chemical Name>
Tiofozil

>  <dtpname:Chemical Name>
Tiofosyl

>  <dtpname:Chemical Name>
Tespamine

>  <dtpname:Chemical Name>
Thiofozil

>  <dtpname:Chemical Name>
CBC 806495

>  <dtpname:Chemical Name>
NCI-C01649

>  <dtpname:Chemical Name>
Oncotiotepa

>  <dtpname:Chemical Name>
Thio-tepa S

>  <dtpname:Chemical Name>
Tiofosfamid

>  <dtpname:Chemical Name>
Oncothio-tepa

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

>  <dtpname:Chemical Name>
NSC 6396

>  <dtpname:Chemical Name>
Thio-Tepa

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

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

$$$$
8806
  CML DOM 05031709562D

 20 19  0  0  0  0  0  0  0  0999 V2000
   -1.4665    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1674   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1316   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1316    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1674    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    1.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0287    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3278    0.4400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    4.9400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0645   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0645    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3636   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6626   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3636   -3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816   -3.8591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <NSC>
8806

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
3223-07-2

>  <Molecular Formula in DIS>
C13H18Cl2N2O2.ClH

>  <Molecular Weight (nearest integer)>
342

>  <dtpname:USAN>
Melphalan

>  <dtpname:Brand Name>
Alkeran

>  <dtpname:Chemical Name>
Phenylalanine mustard hydrochloride

>  <dtpname:Chemical Name>
Melphalan hydrochloride

>  <dtpname:Chemical Name>
L-PAM

>  <dtpname:Chemical Name>
Alanine Nitrogen Mustard

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

>  <dtpname:Chemical Name>
L-Sarcolysine hydrochloride

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

>  <dtpname:Chemical Name>
CB 3025

>  <dtpname:Chemical Name>
SK 15673

>  <dtpname:Chemical Name>
Melfalan

>  <dtpname:Chemical Name>
MELPHALAN

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

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

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

$$$$
9706
  CML DOM 05031709562D

 15 18  0  0  0  0  0  0  0  0999 V2000
   -2.5980    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3481    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0980    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  2 13  1  0  0  0  0
  3 11  2  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 13  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
9706

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
51-18-3

>  <Molecular Formula in DIS>
C9H12N6

>  <Molecular Weight (nearest integer)>
204

>  <dtpname:USAN>
Triethylenemelamine

>  <dtpname:INN:BAN>
Tretamine

>  <dtpname:Chemical Name>
TET

>  <dtpname:Chemical Name>
Triaziridinyl triazine

>  <dtpname:Chemical Name>
Melamine, triethylene-

>  <dtpname:Chemical Name>
Triethanomelamine

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

>  <dtpname:Chemical Name>
Tretamin

>  <dtpname:Chemical Name>
Triamelin

>  <dtpname:Chemical Name>
Tem-Simes

>  <dtpname:Chemical Name>
Persistol

>  <dtpname:Chemical Name>
Trisaziridinyltriazine

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

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

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

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

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

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

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

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

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

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

>  <dtpname:Chemical Name>
TAT

>  <dtpname:Chemical Name>
TEM

>  <dtpname:Chemical Name>
R-246

>  <dtpname:Chemical Name>
R 246

>  <dtpname:Chemical Name>
M-9500

>  <dtpname:Chemical Name>
M 9500

>  <dtpname:Chemical Name>
SK 1133

>  <dtpname:Chemical Name>
SK #1133

>  <dtpname:Chemical Name>
DRP 859025

>  <dtpname:Chemical Name>
ENT 25,296

>  <dtpname:Chemical Name>
TEM (cytostatic)

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

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

>  <dtpname:Chemical Name>
NSC-9706

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

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

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

$$$$
13875
  CML DOM 05031709562D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <NSC>
13875

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
645-05-6

>  <Molecular Formula in DIS>
C9H18N6

>  <Molecular Weight (nearest integer)>
210

>  <dtpname:USAN>
Altretamine

>  <dtpname:Brand Name>
Hexalen

>  <dtpname:Chemical Name>
Hemel

>  <dtpname:Chemical Name>
Hexamethylmelamine

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

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

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

>  <dtpname:Chemical Name>
Hexastat

>  <dtpname:Chemical Name>
ENT 50852

>  <dtpname:Chemical Name>
NSC 13875

>  <dtpname:Chemical Name>
HXM

>  <dtpname:Chemical Name>
HTM

>  <dtpname:Chemical Name>
HMM

>  <dtpname:Chemical Name>
NC 195

>  <dtpname:Chemical Name>
NCI-C50259

>  <dtpname:Chemical Name>
HEXAMETHYLMELAMINE

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

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

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

$$$$
14229
  CML DOM 05031709562D

 29 30  0  0  0  0  0  0  0  0999 V2000
   -3.7817   -3.4466    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4145   -3.4466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7135   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3116   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1155   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4826   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3116   -2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7135   -2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1155   -2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4826   -2.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126   -3.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836   -3.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2326   -5.4957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    1.0534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1154    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836    1.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1154    3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836    4.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4826    3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7817    4.0534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0807    3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3797    4.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7817    5.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0807    6.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6106   -0.4466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9097   -1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 12  2  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4 11  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <NSC>
14229

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
69-05-6

>  <Molecular Formula in DIS>
C23H30ClN3O.2ClH

>  <Molecular Weight (nearest integer)>
473

>  <dtpname:USAN>
Quinacrine hydrochloride

>  <dtpname:INN:BAN>
Mepacrine

>  <dtpname:Brand Name>
Atabrine dihydrochloride

>  <dtpname:Chemical Name>
Acrichine

>  <dtpname:Chemical Name>
Quinacrine

>  <dtpname:Chemical Name>
Acriquine

>  <dtpname:Chemical Name>
Mepacrine HCl

>  <dtpname:Chemical Name>
Erion

>  <dtpname:Chemical Name>
SN 390

>  <dtpname:Chemical Name>
Mecryl

>  <dtpname:Chemical Name>
Atabrine

>  <dtpname:Chemical Name>
Palusan

>  <dtpname:Chemical Name>
Arichin

>  <dtpname:Chemical Name>
Metoquin

>  <dtpname:Chemical Name>
S.N. 390

>  <dtpname:Chemical Name>
Pentilen

>  <dtpname:Chemical Name>
Palacrin

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

>  <dtpname:Chemical Name>
Atebrine

>  <dtpname:Chemical Name>
Italchin

>  <dtpname:Chemical Name>
Metochin

>  <dtpname:Chemical Name>
Metoquine

>  <dtpname:Chemical Name>
Crinodora

>  <dtpname:Chemical Name>
Chemiochin

>  <dtpname:Chemical Name>
Methoquine

>  <dtpname:Chemical Name>
Malaricida

>  <dtpname:Chemical Name>
Atebrin hydrochloride

>  <dtpname:Chemical Name>
Atabrine hydrochloride

>  <dtpname:Chemical Name>
Mepacrine hydrochloride

>  <dtpname:Chemical Name>
Chinacrin hydrochloride

>  <dtpname:Chemical Name>
Mepacrine dihydrochloride

>  <dtpname:Chemical Name>
Quinacrine dihydrochloride

>  <dtpname:Chemical Name>
Quinacrine dihydrochloride mustard

>  <dtpname:Chemical Name>
3-Chloro-7-methoxy-9-[1-methyl-4-(diethylamino)butylamino]acridine dihydrochloride

>  <dtpname:Chemical Name>
2-Methoxy-6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]acridine dihydrochloride

>  <dtpname:Chemical Name>
6-Chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxyacridine dihydrochloride

>  <dtpname:Chemical Name>
3-Chloro-9-[4'-(diethylamino)-1'-methylbutyl]amino]-7-methoxyacridine dihydrochloride

>  <dtpname:Chemical Name>
2-Chloro-5-[[.omega.-(diethylamino)-.alpha.-methylbutyl)amino]-7-methoxyacridine dihydrochloride

>  <dtpname:Chemical Name>
Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, dihydrochloride, dihydrate

>  <dtpname:Chemical Name>
WLN: T C666 BNJ EG IMY1&3N2&2 LO1 &GH 2

>  <dtpname:9th C.I.>
1,4-Pentanediamine, N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, dihydrochloride

>  <dtpname:8th C.I.>
Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, dihydrochloride

>  <dtpname:8th C.I.>
Acridine, 6-chloro-9-[[4-(diethylamino)-1-methylbutyl]amino]-2-methoxy-, dihydrochloride

$$$$
18509
  CML DOM 05031709562D

 10  8  0  0  0  0  0  0  0  0999 V2000
   -1.1692    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1299   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270    0.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7672    0.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4682   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1299   -3.0750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <NSC>
18509

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
5451-09-2

>  <Molecular Formula in DIS>
C5H9NO3.ClH

>  <Molecular Weight (nearest integer)>
168

>  <dtpname:USAN>
Aminolevulinic acid hydrochloride

>  <dtpname:Brand Name>
Levulan

>  <dtpname:Chemical Name>
Aminolevulinic acid

>  <dtpname:Chemical Name>
5-Aminolevulinate hydrochloride

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

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

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

$$$$
19893
  CML DOM 05031709562D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.8343   -1.3636    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362    1.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362    3.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362   -2.8636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628   -0.6136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3619   -1.3636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3619    1.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0628    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5352   -0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362   -1.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2  3  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <NSC>
19893

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
51-21-8

>  <Molecular Formula in DIS>
C4H3FN2O2

>  <Molecular Weight (nearest integer)>
130

>  <dtpname:USAN>
Fluorouracil

>  <dtpname:Brand Name>
Efudex

>  <dtpname:Chemical Name>
5-FU

>  <dtpname:Chemical Name>
5-Fluorouracil

>  <dtpname:Chemical Name>
Adrucil

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

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

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

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

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

>  <dtpname:Chemical Name>
FU

>  <dtpname:Chemical Name>
Fluoroblastin

>  <dtpname:Chemical Name>
5-Ftouracyl

>  <dtpname:Chemical Name>
Fluoroplex

>  <dtpname:Chemical Name>
Timazin

>  <dtpname:Chemical Name>
Fluracil

>  <dtpname:Chemical Name>
Carzonal

>  <dtpname:Chemical Name>
Kecimeton

>  <dtpname:Chemical Name>
Ro 2-9757

>  <dtpname:Chemical Name>
FLUOROURACIL

>  <dtpname:Chemical Name>
Ulup

>  <dtpname:Chemical Name>
5-Fu

>  <dtpname:Chemical Name>
Fluri

>  <dtpname:Chemical Name>
Arumel

>  <dtpname:Chemical Name>
Fluril

>  <dtpname:Chemical Name>
Efudix

>  <dtpname:Chemical Name>
U-8953

>  <dtpname:Chemical Name>
NSC-19893

>  <dtpname:Chemical Name>
NSC 19893

>  <dtpname:Chemical Name>
WLN: T6MVMVJ EF

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

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

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

$$$$
24559
  CML DOM 05031709562D

 77 84  0  0  0  0  0  0  0  0999 V2000
   -5.9247   -1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6256   -1.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3266   -1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3266    0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6257    1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9247    0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0275   -1.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7285   -1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7285    0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276    1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705   -1.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8696   -1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8696    0.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705    1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705   -3.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0275   -3.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6256   -3.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3468    0.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968    1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5740    1.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5382    0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3468    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0154    0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252   -0.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0870    3.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598   -1.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3370   -1.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686   -1.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2395    2.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2237   -1.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826    1.8281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9081   -3.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0572   -4.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7967   -5.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3872   -6.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381   -5.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4986   -3.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4643   -7.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739   -7.4754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0229   -8.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625   -9.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3529  -10.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2039   -9.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6115    0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8719    1.6937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2815    2.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4306    1.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1701   -0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7605   -0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5385    2.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8376    2.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1366    2.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1366    0.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8376   -0.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5385    0.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1366    9.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1366   11.2397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4356   11.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7347   11.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7347    9.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4356    8.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8375    8.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4356   10.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4356   13.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4357    2.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4356   -0.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477   -4.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9297   -1.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9458   -6.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4325   -7.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5420    3.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0210    0.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0337   11.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1267   -7.7403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9115  -10.8810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8401    1.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3192   -1.1989    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 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  6  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 31  1  6  0  0  0
 18 19  1  0  0  0  0
 18 26  1  1  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  1  0  0  0
 21 23  1  1  0  0  0
 21 24  1  0  0  0  0
 26 27  1  0  0  0  0
 28 32  1  0  0  0  0
 29 50  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 69  1  0  0  0  0
 35 36  1  0  0  0  0
 35 74  1  0  0  0  0
 36 37  1  0  0  0  0
 36 67  1  0  0  0  0
 38 39  1  0  0  0  0
 38 43  1  0  0  0  0
 38 67  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 70  1  0  0  0  0
 41 42  1  0  0  0  0
 41 75  1  0  0  0  0
 42 43  1  0  0  0  0
 42 68  1  0  0  0  0
 44 45  1  0  0  0  0
 44 49  1  0  0  0  0
 44 68  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 71  1  0  0  0  0
 47 48  1  0  0  0  0
 47 76  1  0  0  0  0
 48 49  1  0  0  0  0
 48 72  1  0  0  0  0
 48 77  1  0  0  0  0
 50 51  1  0  0  0  0
 50 55  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 65  1  0  0  0  0
 53 54  1  0  0  0  0
 53 66  1  0  0  0  0
 54 55  1  0  0  0  0
 54 62  1  0  0  0  0
 56 57  1  0  0  0  0
 56 61  1  0  0  0  0
 56 62  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 64  1  0  0  0  0
 59 60  1  0  0  0  0
 59 73  1  0  0  0  0
 60 61  1  0  0  0  0
 60 63  1  0  0  0  0
M  END
>  <NSC>
24559

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
18378-89-7

>  <Molecular Formula in DIS>
C52H76O24

>  <Molecular Weight (nearest integer)>
1085

>  <dtpname:USAN>
Plicamycin

>  <dtpname:USAN>
Mithramycin

>  <dtpname:Brand Name>
Mithracin

>  <dtpname:Chemical Name>
Aurelic acid

>  <dtpname:Chemical Name>
Mithramycin A

>  <dtpname:Chemical Name>
Aureolic acid

>  <dtpname:Chemical Name>
Antibiotic LA 7017

>  <dtpname:Chemical Name>
1(2H)-Anthracenone, 6-[[2,6-dideoxy-3-O-(2,6-dideoxy-.beta.-D-arabino-hexo pyranosyl)-.beta.-D-arabino-hexopyranosyl]oxy]-2-[(O-2,6- dideoxy-3-C-methyl-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4) -O-2,6-dideoxy-.alpha.-D-lyxo-hexopyranosyl-(1.fwdarw.3) -2,6-dideoxy-.beta.-D-arabino-hexopyranosyl)oxy]-3-(3,4- dihydroxy-1-methoxy-2-oxopentyl)-3,4-dihydro-8,9-dihydroxy- 7-methyl-, [2S-[2.alpha.,3.beta.(1R*,3R*,4S*)]]-

>  <dtpname:Chemical Name>
PA-144

>  <dtpname:Chemical Name>
A-2371

>  <dtpname:Chemical Name>
Mitramycin

>  <dtpname:Chemical Name>
MITHRAMYCIN

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

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

$$$$
25154
  CML DOM 05031709562D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4951   -0.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.1961   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5980   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8972    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    0.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
25154

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
54-91-1

>  <Molecular Formula in DIS>
C10H16Br2N2O2

>  <Molecular Weight (nearest integer)>
356

>  <dtpname:USAN>
Pipobroman

>  <dtpname:Brand Name>
Amedel

>  <dtpname:Brand Name>
Vercyte

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

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

>  <dtpname:Chemical Name>
A 1803

>  <dtpname:Chemical Name>
A-8103

>  <dtpname:Chemical Name>
NSC-25154

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

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

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

$$$$
26271
  CML DOM 05031709562D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4261    0.3095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9259    0.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6527   -1.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8797   -2.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919    1.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3236    2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0370    3.9376    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4787    0.0085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8971   -0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0289    0.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4473    0.0171    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6532   -0.9760    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128   -1.9196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3800   -2.2881    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>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
50-18-0

>  <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

$$$$
26980
  CML DOM 05031709562D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -3.6283    1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6283   -0.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3292   -0.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302   -0.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302    1.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3292    2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964   -0.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2781    0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964    1.9335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047    1.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047    2.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2781    3.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3292    3.7199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3292   -2.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8599   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1438   -3.0349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3197   -4.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7870   -4.7733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6840   -5.5762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0037    1.9335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7328   -1.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2246   -1.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148    4.0538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148   -0.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9273    2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9273   -0.7800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  1  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 24  1  1  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 23  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <NSC>
26980

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
50-07-7

>  <Molecular Formula in DIS>
C15H18N4O5

>  <Molecular Weight (nearest integer)>
334

>  <dtpname:USAN>
Mitomycin

>  <dtpname:INN:BAN>
Mitomycin C

>  <dtpname:Brand Name>
Mutamycin

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

>  <dtpname:Chemical Name>
Ametycine

>  <dtpname:Chemical Name>
Mitomycinum

>  <dtpname:Chemical Name>
MMC

>  <dtpname:Chemical Name>
Mit-C

>  <dtpname:Chemical Name>
Mito-C

>  <dtpname:Chemical Name>
Ametycin

>  <dtpname:Chemical Name>
Mitocin-C

>  <dtpname:Chemical Name>
Mytomycin

>  <dtpname:Chemical Name>
NCI-C04706

>  <dtpname:Chemical Name>
MITOMYCIN

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

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

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

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

$$$$
27640
  CML DOM 05031709562D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.5380    3.8127    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534   -1.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0601    5.3127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0601    0.8127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582    0.8127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0601    3.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389    3.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389    1.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592    1.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0601   -0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2737   -1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8101   -2.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6899   -2.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918   -4.2091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3592    3.0627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715   -4.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9614   -5.5794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
27640

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
50-91-9

>  <Molecular Formula in DIS>
C9H11FN2O5

>  <Molecular Weight (nearest integer)>
246

>  <dtpname:USAN>
Floxuridine

>  <dtpname:Brand Name>
FUDR

>  <dtpname:Chemical Name>
5-FUDR

>  <dtpname:Chemical Name>
FdUrd

>  <dtpname:Chemical Name>
5-Fluorodeoxyuridine

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

>  <dtpname:Chemical Name>
Fluorodeoxyuridine

>  <dtpname:Chemical Name>
Deoxyfluorouridine

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

>  <dtpname:Chemical Name>
Fluoruridine deoxyribose

>  <dtpname:Chemical Name>
5-Fluorouracil deoxyriboside

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

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

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

>  <dtpname:Chemical Name>
Floxuridin

>  <dtpname:Chemical Name>
Ro 5-0360

>  <dtpname:Chemical Name>
FDUR

>  <dtpname:Chemical Name>
NSC-27640

>  <dtpname:Chemical Name>
NSC 27640

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

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

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

$$$$
32065
  CML DOM 05031709562D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.5196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5196    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8186   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <NSC>
32065

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
127-07-1

>  <Molecular Formula in DIS>
CH4N2O2

>  <Molecular Weight (nearest integer)>
76

>  <dtpname:USAN>
Hydroxyurea

>  <dtpname:INN:BAN>
Hydroxycarbamide

>  <dtpname:Brand Name>
Hydrea

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

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

>  <dtpname:Chemical Name>
N-Carbamoylhydroxylamine

>  <dtpname:Chemical Name>
N-Hydroxyurea

>  <dtpname:Chemical Name>
Hydroxyurea(d4)

>  <dtpname:Chemical Name>
Carbamoyl oxime

>  <dtpname:Chemical Name>
Hydroxyurea (D4)

>  <dtpname:Chemical Name>
Hydroxycarbamine

>  <dtpname:Chemical Name>
Carbamyl hydroxamate

>  <dtpname:Chemical Name>
Carbamohydroximic acid

>  <dtpname:Chemical Name>
Carbamohydroxamic acid

>  <dtpname:Chemical Name>
Carbamohydroxyamic acid

>  <dtpname:Chemical Name>
Onco-carbide

>  <dtpname:Chemical Name>
Biosupressin

>  <dtpname:Chemical Name>
HU

>  <dtpname:Chemical Name>
Hydura

>  <dtpname:Chemical Name>
Hidrix

>  <dtpname:Chemical Name>
Litalir

>  <dtpname:Chemical Name>
SQ 1089

>  <dtpname:Chemical Name>
Litaler

>  <dtpname:Chemical Name>
Hydreia

>  <dtpname:Chemical Name>
Oxyurea

>  <dtpname:Chemical Name>
Hydurea

>  <dtpname:Chemical Name>
SK 22591

>  <dtpname:Chemical Name>
NCI-C04831

>  <dtpname:Chemical Name>
NSC 32065

>  <dtpname:Chemical Name>
HYDROXYUREA

>  <dtpname:Chemical Name>
Hydroxyurea

>  <dtpname:Chemical Name>
Hydroxylurea

>  <dtpname:Chemical Name>
WLN: ZVMQ

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

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

$$$$
34462
  CML DOM 05031709562D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -5.1000   -0.1732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6000   -0.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    1.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    2.4249    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9000   -0.1732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -1.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.7713    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    1.1258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -1.4722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <NSC>
34462

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
66-75-1

>  <Molecular Formula in DIS>
C8H11Cl2N3O2

>  <Molecular Weight (nearest integer)>
252

>  <dtpname:USAN>
Uracil mustard

>  <dtpname:INN:BAN>
Uramustine

>  <dtpname:Chemical Name>
Uracil nitrogen mustard

>  <dtpname:Chemical Name>
Aminouracil mustard

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

>  <dtpname:Chemical Name>
Nordopan

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

>  <dtpname:Chemical Name>
Uramustin

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

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

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

>  <dtpname:Chemical Name>
U 8344

>  <dtpname:Chemical Name>
U-8344

>  <dtpname:Chemical Name>
CB-4835

>  <dtpname:Chemical Name>
SK-19849

>  <dtpname:Chemical Name>
ENT 50439

>  <dtpname:Chemical Name>
Uracillost

>  <dtpname:Chemical Name>
Uracilmostaza

>  <dtpname:Chemical Name>
Demethyldopan

>  <dtpname:Chemical Name>
Desmethyldopan

>  <dtpname:Chemical Name>
Chlorethaminacil

>  <dtpname:Chemical Name>
NSC-34462

>  <dtpname:Chemical Name>
NCI-C04820

>  <dtpname:Chemical Name>
URACIL NITROGEN MUSTARD

>  <dtpname:Chemical Name>
WLN: T6MVMVJ EN2G2G

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

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

$$$$
38721
  CML DOM 05031709562D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.2886   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9075   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3094    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6085    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6085   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3094   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8867    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5877    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1858    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5877   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1858   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8867   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5877    3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0104    3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  3  4  1  0  0  0  0
  4  7  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <NSC>
38721

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
53-19-0

>  <Molecular Formula in DIS>
C14H10Cl4

>  <Molecular Weight (nearest integer)>
320

>  <dtpname:USAN>
Mitotane

>  <dtpname:Brand Name>
Lysodren

>  <dtpname:Chemical Name>
o,p'-DDD

>  <dtpname:Chemical Name>
2,4'-Dichlorodiphenyldichloroethane

>  <dtpname:Chemical Name>
o,p'-Dichlorodiphenyldichloroethane

>  <dtpname:Chemical Name>
Chloditan

>  <dtpname:Chemical Name>
Mitotan

>  <dtpname:Chemical Name>
o,p'-TDE

>  <dtpname:Chemical Name>
2,4'-DDD

>  <dtpname:Chemical Name>
(o,p)-DDD

>  <dtpname:Chemical Name>
1,1-Dichloro-2,2-bis(2,4'-dichlorophenyl)ethane

>  <dtpname:Chemical Name>
2-(o-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane

>  <dtpname:Chemical Name>
1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

>  <dtpname:Chemical Name>
2,2-Bis(2-chlorophenyl-4-chlorophenyl)-1,1-dichloroethane

>  <dtpname:Chemical Name>
Ethane, 2-(o-chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloro-

>  <dtpname:Chemical Name>
CB 313

>  <dtpname:Chemical Name>
Chlodithan

>  <dtpname:Chemical Name>
Khlodithan

>  <dtpname:Chemical Name>
Chlodithane

>  <dtpname:Chemical Name>
NSC-38721

>  <dtpname:Chemical Name>
NCI-C04933

>  <dtpname:Chemical Name>
WLN: GYGYR BG&R DG

>  <dtpname:9th C.I.>
Benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-

>  <dtpname:8th C.I.>
Ethane, 1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)-

$$$$
45388
  CML DOM 05031709562D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.0285   -2.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853   -1.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8525   -2.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5252    0.6939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7166   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2248   -0.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7294   -2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7203    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1875    0.0409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2568    1.7793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252    0.6939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7752    1.9929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752    1.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252    3.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <NSC>
45388

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
4342-03-4

>  <Molecular Formula in DIS>
C6H10N6O

>  <Molecular Weight (nearest integer)>
182

>  <dtpname:USAN>
Dacarbazine

>  <dtpname:Brand Name>
DTIC-Dome

>  <dtpname:Chemical Name>
DTIC

>  <dtpname:Chemical Name>
Imidazole carboxamide

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

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

>  <dtpname:Chemical Name>
Dimethyltriazenoimidazolecarboxamide

>  <dtpname:Chemical Name>
(Dimethyltriazeno)imidazolecarboxamide

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

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

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

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

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

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

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

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

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

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

>  <dtpname:Chemical Name>
DIC

>  <dtpname:Chemical Name>
ICDT

>  <dtpname:Chemical Name>
DTIE

>  <dtpname:Chemical Name>
ICDMT

>  <dtpname:Chemical Name>
Deticene

>  <dtpname:Chemical Name>
DACARBAZINE

>  <dtpname:Chemical Name>
NSC 45388

>  <dtpname:Chemical Name>
NCI-C04717

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

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

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

$$$$
45923
  CML DOM 05031709562D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.9464    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2455    1.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6474    1.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9507    1.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3773    1.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2455   -0.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6474   -0.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9507   -0.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2590    0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -0.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3773   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -2.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9464   -0.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5445   -0.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6474   -3.2344    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>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
298-81-7

>  <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

$$$$
49842
  CML DOM 05031709562D

 67 74  0  0  0  0  0  0  0  0999 V2000
   -0.6873    1.1119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1254   -0.2789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2424   -4.3972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3869    5.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0274   -5.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4832   -0.1836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4832   -3.1836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6066    5.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9454    5.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9664    3.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8392    2.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345    1.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3863    0.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1428    1.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9097    5.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2055    4.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474    2.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8567    3.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3436    4.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1336    5.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1075    2.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    4.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5847    2.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7822    0.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813   -0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813   -1.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7822   -2.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4832   -1.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735   -0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1235   -1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842   -2.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7823   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1842   -3.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2424   -1.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3443   -0.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -3.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4832   -4.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9421   -4.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5190   -5.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3611    6.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7478   -4.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4488   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813   -3.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3803   -2.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    5.5514    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4195    5.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    7.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4195    5.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    4.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6299   -0.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5253   -1.6992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9781    0.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0827    1.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4474   -5.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9246   -5.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124   -8.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0352   -8.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  1  2  1  0  0  0  0
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  4  8  1  0  0  0  0
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 27 53  1  6  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 31 30  1  1  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 39  1  0  0  0  0
 32 49  1  1  0  0  0
 33 39  1  0  0  0  0
 34 37  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 38  1  0  0  0  0
 37 40  1  0  0  0  0
 38 40  2  0  0  0  0
 38 42  1  0  0  0  0
 39 45  1  1  0  0  0
 39 64  1  0  0  0  0
 42 43  1  0  0  0  0
 46 47  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 53 54  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 55 58  2  0  0  0  0
 55 59  1  0  0  0  0
 60 61  2  0  0  0  0
 60 62  1  0  0  0  0
 62 63  1  0  0  0  0
 64 65  2  0  0  0  0
 64 66  1  0  0  0  0
 66 67  1  0  0  0  0
M  END
>  <NSC>
49842

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
143-67-9

>  <Molecular Formula in DIS>
C46H58N4O9.H2O4S

>  <Molecular Weight (nearest integer)>
909

>  <dtpname:USAN>
Vinblastine sulfate

>  <dtpname:USAN>
Vinblastine Sulfate Hydrate

>  <dtpname:INN:BAN>
Vinblastine

>  <dtpname:Brand Name>
Velban

>  <dtpname:Chemical Name>
Vincaleukoblastine sulfate (1:1) (salt)

>  <dtpname:Chemical Name>
Belvan, VLB

>  <dtpname:Chemical Name>
VLB monosulfate

>  <dtpname:Chemical Name>
Exal

>  <dtpname:Chemical Name>
Velbe

>  <dtpname:Chemical Name>
Vincaleucoblastine sulfate

>  <dtpname:Chemical Name>
Vincaleukoblastine sulfate

>  <dtpname:Chemical Name>
Vinblastine, sulfate, hydrate

>  <dtpname:Chemical Name>
Vincaleukoblastine, sulfate, hydrate

>  <dtpname:Chemical Name>
Vincaleukoblastine, sulfate, monohydrate

>  <dtpname:Chemical Name>
29060-LE

>  <dtpname:Chemical Name>
29060 LE

>  <dtpname:Chemical Name>
VINCALEUKOBLASTINE

>  <dtpname:Chemical Name>
VINBLASTINE SULFATE

>  <dtpname:Chemical Name>
VINBLASTINE SULFATE

>  <dtpname:Chemical Name>
WLN: T C6 B5665/BS 2AB S BX IN QN NU & & TTTJ FO1 I1 KVO1 KQ LOV1 M2 E-CT F6D596A EN ON & & TTJ CVO1 Q

>  <dtpname:Chemical Name>
WLN: T C6 B5665/BS 2AB S BX IN QN NU & & TTTJ FO1 I1 KVO1 KQ LOV1 M2 E-CT F6 D596A EN ON & & TTJ CVO1 Q

>  <dtpname:Chemical Name>
NSC 49842

>  <dtpname:9th C.I.>
Vincaleukoblastine, sulfate (1:1) (salt)

>  <dtpname:8th C.I.>
Vincaleukoblastine, sulfate (1:1) (salt)

$$$$
63878
  CML DOM 05031709562D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -1.4731   -0.7769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4866    1.0409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4813    2.7056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9257    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5201    3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422    3.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4745    2.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645    1.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0301   -0.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054   -1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1213   -2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294   -2.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6745   -4.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7752   -3.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884   -4.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6936   -1.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369    5.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793    1.2316    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
63878

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
69-74-9

>  <Molecular Formula in DIS>
C9H13N3O5.ClH

>  <Molecular Weight (nearest integer)>
280

>  <dtpname:USAN>
Cytarabine hydrochloride

>  <dtpname:Brand Name>
Cytosar-U

>  <dtpname:Chemical Name>
Cytosine arabinoside hydrochloride

>  <dtpname:Chemical Name>
Ara-C

>  <dtpname:Chemical Name>
1.beta.-D-Arabinofuranosylcytosine hydrochloride

>  <dtpname:Chemical Name>
Arabinosyl cytosine hydrochloride

>  <dtpname:Chemical Name>
Cytosar hydrochloride

>  <dtpname:Chemical Name>
Aracytin hydrochloride

>  <dtpname:Chemical Name>
Arabinosylcytosine hydrochloride

>  <dtpname:Chemical Name>
Aracytidine hydrochloride

>  <dtpname:Chemical Name>
Ara-cytidine hydrochloride

>  <dtpname:Chemical Name>
Spongocytidine-hydrochloride

>  <dtpname:Chemical Name>
Arabitin hydrochloride

>  <dtpname:Chemical Name>
Arabinofuranosylcytosine hydrochloride

>  <dtpname:Chemical Name>
Arabinosylcytosin

>  <dtpname:Chemical Name>
1.beta.-D-Arabinofuranosylcytosine monohydrochloride

>  <dtpname:Chemical Name>
Cytosine, 1-.beta.-D-arabino-furanosyl-, hydrochloride

>  <dtpname:Chemical Name>
Cytosine, 1.beta.-D-arabinofuranosyl-, monohydrochloride

>  <dtpname:Chemical Name>
Cytosine, 1-.beta.-D-arabinofuranosyl-, monhydrochloride

>  <dtpname:Chemical Name>
2(1H)-Pyrimidinone, 4-amino-1.beta.-D-arabinofuranosyl-, monohydrochloride

>  <dtpname:Chemical Name>
2(1H)-Pyrimidinone, 4-amino-1.beta.-D-arzbinofuranosyl-, monohydrochloride

>  <dtpname:Chemical Name>
Iretin

>  <dtpname:Chemical Name>
Alexan

>  <dtpname:Chemical Name>
AC 1075

>  <dtpname:Chemical Name>
U 19920

>  <dtpname:Chemical Name>
Cylocide

>  <dtpname:Chemical Name>
u-19920a

>  <dtpname:Chemical Name>
U-19920A

>  <dtpname:Chemical Name>
CA

>  <dtpname:9th C.I.>
2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-arabinofuranosyl-, monohydrochloride

$$$$
66847
  CML DOM 05031709562D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -4.9724    0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9724   -0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6734   -1.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744   -0.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744    0.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6734    1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9478   -1.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0661    0.1368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9478    1.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4339    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839   -1.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4339    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839    1.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839    1.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4842    2.7769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4842   -2.5033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4339   -2.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9339    0.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6839   -1.1623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <NSC>
66847

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
50-35-1

>  <Molecular Formula in DIS>
C13H10N2O4

>  <Molecular Weight (nearest integer)>
258

>  <dtpname:USAN>
Thalidomide

>  <dtpname:Brand Name>
Kevadon

>  <dtpname:Brand Name>
Thalomid

>  <dtpname:Chemical Name>
N-Phthaloylglutamimide

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

>  <dtpname:Chemical Name>
Neo

>  <dtpname:Chemical Name>
K-17

>  <dtpname:Chemical Name>
E-217

>  <dtpname:Chemical Name>
Sedin

>  <dtpname:Chemical Name>
Nibrol

>  <dtpname:Chemical Name>
Glupan

>  <dtpname:Chemical Name>
Isomin

>  <dtpname:Chemical Name>
Valgis

>  <dtpname:Chemical Name>
Thalin

>  <dtpname:Chemical Name>
Pangul

>  <dtpname:Chemical Name>
Slipro

>  <dtpname:Chemical Name>
Asmaval

>  <dtpname:Chemical Name>
Sleepan

>  <dtpname:Chemical Name>
Lulamin

>  <dtpname:Chemical Name>
Calmore

>  <dtpname:Chemical Name>
Telagan

>  <dtpname:Chemical Name>
Grippex

>  <dtpname:Chemical Name>
Noxodyn

>  <dtpname:Chemical Name>
Talimol

>  <dtpname:Chemical Name>
Kedavon

>  <dtpname:Chemical Name>
Imidene

>  <dtpname:Chemical Name>
Sedoval

>  <dtpname:Chemical Name>
Yodomin

>  <dtpname:Chemical Name>
Neufatin

>  <dtpname:Chemical Name>
Asidon 3

>  <dtpname:Chemical Name>
Asmadion

>  <dtpname:Chemical Name>
Bonbrain

>  <dtpname:Chemical Name>
Bonbrrin

>  <dtpname:Chemical Name>
Calmorex

>  <dtpname:Chemical Name>
Distaval

>  <dtpname:Chemical Name>
Distaxal

>  <dtpname:Chemical Name>
Distoval

>  <dtpname:Chemical Name>
Glutanon

>  <dtpname:Chemical Name>
Hippuzon

>  <dtpname:Chemical Name>
Neosedyn

>  <dtpname:Chemical Name>
Neosydyn

>  <dtpname:Chemical Name>
Neurodyn

>  <dtpname:Chemical Name>
Nevrodyn

>  <dtpname:Chemical Name>
Quetimid

>  <dtpname:Chemical Name>
Sedimide

>  <dtpname:Chemical Name>
Softenil

>  <dtpname:Chemical Name>
Softenon

>  <dtpname:Chemical Name>
Talargan

>  <dtpname:Chemical Name>
Talismol

>  <dtpname:Chemical Name>
Tensival

>  <dtpname:Chemical Name>
Ulcerfen

>  <dtpname:Chemical Name>
Valgraine

>  <dtpname:Chemical Name>
Algosediv

>  <dtpname:Chemical Name>
Pro-ban M

>  <dtpname:Chemical Name>
Profarmil

>  <dtpname:Chemical Name>
Contergan

>  <dtpname:Chemical Name>
Sandormin

>  <dtpname:Chemical Name>
Ectiluran

>  <dtpname:Chemical Name>
Imida-Lab

>  <dtpname:Chemical Name>
Telargean

>  <dtpname:Chemical Name>
Nerosedyn

>  <dtpname:Chemical Name>
Polygripan

>  <dtpname:Chemical Name>
Neurosedin

>  <dtpname:Chemical Name>
Neurosedym

>  <dtpname:Chemical Name>
Noctosediv

>  <dtpname:Chemical Name>
Pantosediv

>  <dtpname:Chemical Name>
Poly-Giron

>  <dtpname:Chemical Name>
Quietoplex

>  <dtpname:Chemical Name>
Thalinette

>  <dtpname:Chemical Name>
Sedisperil

>  <dtpname:Chemical Name>
Shinnibrol

>  <dtpname:Chemical Name>
Gastrinide

>  <dtpname:Chemical Name>
Enterosediv

>  <dtpname:Chemical Name>
Thalidomide

>  <dtpname:Chemical Name>
Shin-naito S

>  <dtpname:Chemical Name>
Psycholiquid

>  <dtpname:Chemical Name>
Predni-Sediv

>  <dtpname:Chemical Name>
Psychotablets

>  <dtpname:Chemical Name>
Imidan (peyta)

>  <dtpname:Chemical Name>
Corronarobetin

>  <dtpname:Chemical Name>
Theophilcholine

>  <dtpname:Chemical Name>
Sedalis sedi-lab

>  <dtpname:Chemical Name>
3-Phthalimidoglutarimide

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

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

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

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

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

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

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

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

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

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

>  <dtpname:VAN>
K 17

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

$$$$
67574
  CML DOM 05031709562D

 67 74  0  0  0  0  0  0  0  0999 V2000
    0.1252   -4.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4653    3.5006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950   -5.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508    0.1511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508   -2.8489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8313    2.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9150    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6266    0.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1786    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8304    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5869    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6915    2.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9522    4.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4532    4.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0397    3.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8309    4.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7951    6.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2821    7.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537    5.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8049    7.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8407    6.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4489    0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4489   -1.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498   -2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508   -1.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911   -1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5518   -2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498   -3.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5518   -3.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252   -1.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850   -0.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9768   -0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565   -2.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8584   -1.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8508   -4.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -2.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    2.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3502   -1.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2319   -2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8866   -5.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4672   -0.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9511   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3800    1.7054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4489   -2.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4489   -4.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9261   -4.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8903   -5.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4391   -2.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2415    4.7670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5406    4.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9915    6.0660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9425    5.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4915    3.4679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150   -5.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2922   -5.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020   -6.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8247   -7.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1314    1.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894    0.5459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7180    3.0668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6495    3.8374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3384   -5.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8056   -5.8009    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
  9  8  1  1  0  0  0
  9 39  1  0  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>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
2068-78-2

>  <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)

$$$$
71423
  CML DOM 05031709562D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.5247   -6.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2026   -2.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741    0.4061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214   -0.5518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0177    2.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4443    2.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1360    1.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3558    1.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9659    0.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4443    1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0177    0.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0842   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4075   -0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6944   -2.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1861   -2.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7963   -3.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892   -2.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8127   -3.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9146   -5.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6791   -3.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4228   -4.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5760   -1.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5608   -4.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6140    3.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0535    4.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4237    3.8785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665    5.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8565    4.2335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    4.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1916    5.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0104    2.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
 12  2  1  6  0  0  0
 13  3  1  1  0  0  0
 11  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 28  1  6  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  1  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <NSC>
71423

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
595-33-5

>  <Molecular Formula in DIS>
C24H32O4

>  <Molecular Weight (nearest integer)>
385

>  <dtpname:USAN>
Megestrol acetate

>  <dtpname:INN:BAN>
Megestrol

>  <dtpname:Brand Name>
Megace

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

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

>  <dtpname:Chemical Name>
Megestryl acetate

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

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

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

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

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

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

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

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

>  <dtpname:Chemical Name>
Niagestin

>  <dtpname:Chemical Name>
Magestin

>  <dtpname:Chemical Name>
SC-10363

>  <dtpname:Chemical Name>
BDH 1298

>  <dtpname:Chemical Name>
Ovaban

>  <dtpname:Chemical Name>
Ovarid

>  <dtpname:Chemical Name>
Volidan

>  <dtpname:Chemical Name>
Megeron

>  <dtpname:Chemical Name>
S4

>  <dtpname:Chemical Name>
Nia

>  <dtpname:Chemical Name>
5071

>  <dtpname:Chemical Name>
DMAP

>  <dtpname:Chemical Name>
SC 10363

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

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

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

$$$$
77213
  CML DOM 05031709562D

 17 16  0  0  0  0  0  0  0  0999 V2000
    1.3235    1.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765    1.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0735    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3235   -1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9265    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765   -1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6765    1.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4265    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1765   -1.2108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5735    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4265    2.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4265    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5735    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3235   -1.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8235   -1.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1765    1.3872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5735   -2.7108    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <NSC>
77213

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
366-70-1

>  <Molecular Formula in DIS>
C12H19N3O.ClH

>  <Molecular Weight (nearest integer)>
258

>  <dtpname:USAN>
Procarbazine hydrochloride

>  <dtpname:INN:BAN>
Procarbazine

>  <dtpname:Brand Name>
Matulane

>  <dtpname:Chemical Name>
PCB hydrochloride

>  <dtpname:Chemical Name>
Ibenzmethyzine hydrochloride

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

>  <dtpname:Chemical Name>
MBH

>  <dtpname:Chemical Name>
Natulan

>  <dtpname:Chemical Name>
Nathulane

>  <dtpname:Chemical Name>
Natunalar

>  <dtpname:Chemical Name>
MIH hydrochloride

>  <dtpname:Chemical Name>
NCI-C01810

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

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

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

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

>  <dtpname:German Name>
Procarbazin

$$$$
79037
  CML DOM 05031709562D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.2043    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5033   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5033   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2043   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6929   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6929   -1.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2909   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062    0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890   -0.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9919    2.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6928    2.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <NSC>
79037

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
13010-47-4

>  <Molecular Formula in DIS>
C9H16ClN3O2

>  <Molecular Weight (nearest integer)>
234

>  <dtpname:USAN>
Lomustine

>  <dtpname:Brand Name>
CeeNU

>  <dtpname:Chemical Name>
CCNU

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

>  <dtpname:Chemical Name>
Belustine

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

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

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

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

>  <dtpname:Chemical Name>
SRI 2200

>  <dtpname:Chemical Name>
ICIG 1109

>  <dtpname:Chemical Name>
Chloroethylcyclohexylnitrosourea

>  <dtpname:Chemical Name>
CiNu

>  <dtpname:Chemical Name>
CCNU

>  <dtpname:Chemical Name>
Cecenu

>  <dtpname:Chemical Name>
LOMUSTINE

>  <dtpname:Chemical Name>
NSC 79037

>  <dtpname:Chemical Name>
NCI-C04740

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

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

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

$$$$
82151
  CML DOM 05031709562D

 39 42  0  0  0  0  0  0  0  0999 V2000
   -3.4713   -1.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713    4.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239   -3.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249   -1.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732    2.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258    2.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239    2.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248    2.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1723    2.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713    2.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7704    2.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0694    2.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3684    2.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239    0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258    0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1723    0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7704    0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3684    0.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248   -0.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732   -0.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713   -0.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0694   -0.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239   -2.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229   -1.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220   -2.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229   -4.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220   -3.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0694   -1.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3684   -2.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9210   -4.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732   -1.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732    4.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229   -3.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9210   -1.7340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    3.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0141    3.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5727    4.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5011    1.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2237   -6.2340    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>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
23541-50-6

>  <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

$$$$
85998
  CML DOM 05031709562D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -4.6910   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0929   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7939   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051   -0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1032    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    3.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3920   -2.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0929    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7939   -2.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1032   -0.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -2.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9900   -1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4022    1.8751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4022    3.3751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  6  0  0  0
  3  4  1  0  0  0  0
  3 10  1  1  0  0  0
  4  5  1  0  0  0  0
  4 11  1  1  0  0  0
  5 13  1  1  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <NSC>
85998

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
18883-66-4

>  <Molecular Formula in DIS>
C8H15N3O7

>  <Molecular Weight (nearest integer)>
265

>  <dtpname:USAN>
Streptozocin

>  <dtpname:Brand Name>
Zanosar

>  <dtpname:Chemical Name>
STZ

>  <dtpname:Chemical Name>
Streptozoticin

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

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

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

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

>  <dtpname:Chemical Name>
U-9889

>  <dtpname:Chemical Name>
U 9889

>  <dtpname:Chemical Name>
NSC 85998

>  <dtpname:Chemical Name>
STREPTOZOCIN

>  <dtpname:Chemical Name>
STREPTOZOTOCIN, PURE

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

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

>  <dtpname:VAN>
Streptozotocin

$$$$
92859
  CML DOM 05031709562D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.2598    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0392    0.9000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.0392   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2598   -1.3500    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5589   -0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
>  <NSC>
92859

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
1327-53-3

>  <Molecular Formula in DIS>
As2O3

>  <Molecular Weight (nearest integer)>
198

>  <dtpname:USAN>
Arsenic trioxide

>  <dtpname:Brand Name>
Trisenox

>  <dtpname:Chemical Name>
Arsenic oxide, As2O3

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

$$$$
102816
  CML DOM 05031709562D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.6582    2.5619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6886    0.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594    0.5961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112    0.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -1.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7931    1.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944   -0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4574    0.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918   -1.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3915   -1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8840    0.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2482   -2.5939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0145   -2.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2100    2.0736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3197    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4137   -0.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <NSC>
102816

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
320-67-2

>  <Molecular Formula in DIS>
C8H12N4O5

>  <Molecular Weight (nearest integer)>
244

>  <dtpname:USAN>
Azacitidine

>  <dtpname:Brand Name>
Mylosar

>  <dtpname:Brand Name>
Vidaza

>  <dtpname:Chemical Name>
Ladakamycin

>  <dtpname:Chemical Name>
5-Azacytidine

>  <dtpname:Chemical Name>
Anitibiotic U 18496

>  <dtpname:Chemical Name>
5-AC

>  <dtpname:Chemical Name>
5 AZC

>  <dtpname:Chemical Name>
5-AZCR

>  <dtpname:Chemical Name>
Azacytidine, 5-

>  <dtpname:Chemical Name>
NCI-C01569

>  <dtpname:Chemical Name>
AZACITIDINE

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

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

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

$$$$
105014
  CML DOM 05031709562D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.6452   -1.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6452   -2.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186   -3.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369   -1.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186   -0.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1631   -1.8247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8587   -3.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2696    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2696    2.7789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9706    3.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716    2.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9706    0.5289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550    3.2424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6367    2.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550    0.8154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7019   -4.9482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687    0.5289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9706    5.0289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550   -4.4649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <NSC>
105014

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
4291-63-8

>  <Molecular Formula in DIS>
C10H12ClN5O3

>  <Molecular Weight (nearest integer)>
286

>  <dtpname:USAN>
Cladribine

>  <dtpname:Brand Name>
Leustatin

>  <dtpname:Chemical Name>
Leustat

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

>  <dtpname:Chemical Name>
Cladibina

>  <dtpname:Chemical Name>
RWJ-26251

$$$$
109724
  CML DOM 05031709562D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.9428   -0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6309   -0.0039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6047    1.4958    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8905    2.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2024    1.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2286    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6549   -0.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6287   -2.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9145   -3.0488    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3561   -0.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8285   -0.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3169   -1.9131    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0672    2.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8677    1.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <NSC>
109724

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
3778-73-2

>  <Molecular Formula in DIS>
C7H15Cl2N2O2P

>  <Molecular Weight (nearest integer)>
261

>  <dtpname:USAN>
Ifosfamide

>  <dtpname:Brand Name>
Mitoxana

>  <dtpname:Brand Name>
Ifex

>  <dtpname:Chemical Name>
Isoendoxan

>  <dtpname:Chemical Name>
Asta Z 4942

>  <dtpname:Chemical Name>
Iphosphamid

>  <dtpname:Chemical Name>
Holoxan 1000

>  <dtpname:Chemical Name>
Iphosphamide

>  <dtpname:Chemical Name>
Isofosfamide

>  <dtpname:Chemical Name>
I-Phosphamide

>  <dtpname:Chemical Name>
Isophosphamide

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

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

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

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

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

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

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

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

>  <dtpname:Chemical Name>
Cyfos

>  <dtpname:Chemical Name>
Z4942

>  <dtpname:Chemical Name>
Z 4942

>  <dtpname:Chemical Name>
A 4942

>  <dtpname:Chemical Name>
Naxamide

>  <dtpname:Chemical Name>
MJF 9325

>  <dtpname:Chemical Name>
IFO

>  <dtpname:Chemical Name>
Ifosfamid

>  <dtpname:Chemical Name>
NSC 109724

>  <dtpname:Chemical Name>
NCI-C01638

>  <dtpname:Chemical Name>
NSC-109724

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

>  <dtpname:Chemical Name>
IFOSFAMIDE

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

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

$$$$
118218
  CML DOM 05031709562D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -4.2186    1.9226    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3039    3.6787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7405    1.1424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    2.9122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2463   -1.7955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9454    0.5972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8396    4.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2762    1.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1508    1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7543    2.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591   -0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807   -1.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7302   -3.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2303   -3.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3891    5.4347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0176   -5.8040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6230   -4.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6403   -4.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7584   -2.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  7  2  0  0  0  0
  2 11  1  0  0  0  0
  3 11  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <NSC>
118218

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
21679-14-1

>  <Molecular Formula in DIS>
C10H12FN5O4

>  <Molecular Weight (nearest integer)>
285

>  <dtpname:Chemical Name>
2-Fluoro Ara-A

>  <dtpname:Chemical Name>
2-Fluoroadenine arabinoside

>  <dtpname:9th C.I.>
9H-Purin-6-amine, 9-.beta.-D-arabinofuranosyl-2-fluoro-

>  <dtpname:8th C.I.>
Adenine, 9-.beta.-D-arabinofuranosyl-2-fluoro-

$$$$
119875
  CML DOM 05031709562D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.0308   -1.0897    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    1.0897    1.0308    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -1.0308    1.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -1.0308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  CHG  3   1  -1   2   2   3  -1
M  END
>  <NSC>
119875

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
15663-27-1

>  <Molecular Formula in DIS>
Cl2H6N2Pt

>  <Molecular Weight (nearest integer)>
300

>  <dtpname:USAN>
Cisplatin

>  <dtpname:Brand Name>
Plantinol AQ

>  <dtpname:Chemical Name>
Cis-DDP

>  <dtpname:Chemical Name>
CDDP

>  <dtpname:Chemical Name>
cis-Diaminedichloroplatinum

>  <dtpname:Chemical Name>
Platinol

>  <dtpname:Chemical Name>
cis Pt II

>  <dtpname:Chemical Name>
Platiblastin

>  <dtpname:Chemical Name>
DDP

>  <dtpname:Chemical Name>
CACP

>  <dtpname:Chemical Name>
DDPt

>  <dtpname:Chemical Name>
CPDD

>  <dtpname:Chemical Name>
CISPLATIN

>  <dtpname:Chemical Name>
CISPLATIN

>  <dtpname:Chemical Name>
NCI-C55776

>  <dtpname:Chemical Name>
WLN: Z&2 PT-G2

>  <dtpname:9th C.I.>
Platinum, diamminedichloro-, (SP-4-2)-

>  <dtpname:8th C.I.>
Platinum, diamminedichloro-, cis-

$$$$
122758
  CML DOM 05031709562D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.6571    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3581   -0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400   -0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5390    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381   -0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1371    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4361   -0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2552    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5543   -0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9562   -0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9562   -1.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5543   -1.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2552   -2.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2194    1.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2910    1.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6571   -2.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591    1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1371    1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7352    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0342   -0.3431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7352    1.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <NSC>
122758

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
302-79-4

>  <Molecular Formula in DIS>
C20H28O2

>  <Molecular Weight (nearest integer)>
300

>  <dtpname:USAN>
Tretinoin

>  <dtpname:Brand Name>
Vesanoid

>  <dtpname:Chemical Name>
ATRA

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

>  <dtpname:Chemical Name>
Retinoic acid

>  <dtpname:Chemical Name>
Vitamin A acid

>  <dtpname:Chemical Name>
Retin-A

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

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

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

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

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

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

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

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

>  <dtpname:Chemical Name>
Airol

>  <dtpname:Chemical Name>
Eudyna

>  <dtpname:Chemical Name>
Aberel

>  <dtpname:Chemical Name>
Aknoten

>  <dtpname:Chemical Name>
Aknefug

>  <dtpname:Chemical Name>
Dermairol

>  <dtpname:Chemical Name>
trans-Retinoic acid

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

>  <dtpname:Chemical Name>
Alltrans-retinoic acid

>  <dtpname:Chemical Name>
RETINOIC ACID

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

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

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

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

$$$$
122819
  CML DOM 05031709562D

 49 56  0  0  0  0  0  0  0  0999 V2000
   -1.9952   -8.0921    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1990    3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0832   -6.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724    5.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4131   -6.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6933   -4.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0707   -4.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -2.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9421   -1.1453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3168    2.2397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -1.3876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9532    1.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7397   -0.8385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    6.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8562    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9581    4.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0764    3.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5846    3.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7030    2.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7888    2.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3131    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7397    0.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3989    4.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8907    4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4314   -0.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6705    1.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7724    2.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3131   -1.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0604    0.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1623    1.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1990    4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319   -3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743   -4.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9220   -4.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7608   -3.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1033   -2.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5151   -6.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7183   -5.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9420   -6.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4951   -8.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2461    7.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457    7.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2645   -3.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2572   -3.8416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2297    7.3494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4499    4.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600    3.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944   -7.6982    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>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
29767-20-2

>  <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)

$$$$
123127
  CML DOM 05031709562D

 40 43  0  0  0  0  0  0  0  0999 V2000
   -3.6095   -1.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095    4.1386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8857   -4.1114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5866   -1.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987    3.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759    3.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114    2.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876    1.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8857    1.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5866    2.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    1.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095    2.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9086    1.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2076    2.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5066    1.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8857    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9086    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5066    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5866   -0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114   -0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6095   -0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2076   -0.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8857   -2.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1847   -1.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4838   -2.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1847   -4.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4838   -4.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2076   -1.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5066   -2.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7828   -4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114   -1.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114    4.1386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1847   -3.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7828   -1.8613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3629    1.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3889    4.9682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    4.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3619   -6.3614    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 12  2  0  0  0  0
  3 25  1  0  0  0  0
  3 28  1  0  0  0  0
 21  4  1  6  0  0  0
  4 25  1  0  0  0  0
  9  5  1  0  0  0  0
  5 39  2  0  0  0  0
  5  6  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 37  1  6  0  0  0
 11 18  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 24  2  0  0  0  0
 22 33  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 28 35  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <NSC>
123127

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
25316-40-9

>  <Molecular Formula in DIS>
C27H29NO11.ClH

>  <Molecular Weight (nearest integer)>
580

>  <dtpname:USAN>
Doxorubicin hydrochloride

>  <dtpname:Brand Name>
Adriamycin

>  <dtpname:Brand Name>
Rubex

>  <dtpname:Chemical Name>
Doxorubicin

>  <dtpname:Chemical Name>
ADM hydrochloride

>  <dtpname:Chemical Name>
Adriamycin hydrochloride

>  <dtpname:Chemical Name>
ADR

>  <dtpname:Chemical Name>
DOX HCl

>  <dtpname:Chemical Name>
Adriacin

>  <dtpname:Chemical Name>
Adriblastin

>  <dtpname:Chemical Name>
Adriblastina

>  <dtpname:Chemical Name>
FI 106

>  <dtpname:Chemical Name>
FI 6804

>  <dtpname:Chemical Name>
Hydroxydaunorubicin hydrochloride

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

>  <dtpname:Chemical Name>
ADRIAMYCIN HCL

>  <dtpname:Chemical Name>
ADRIAMYCIN HYDROCHLORIDE

>  <dtpname:Chemical Name>
ADRIAMYCIN, HYDROCHLORIDE

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

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

$$$$
125066
  CML DOM 05031709562D

110114  0  0  0  0  0  0  0  0999 V2000
   -8.7711    6.4082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4721    5.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730    3.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5749    3.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9769    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4721    4.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730    6.4082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730    4.9082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5259    2.8591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3222    4.1581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0259    5.4572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9768    6.4082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4721    1.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4721   -0.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730   -1.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8740   -0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8740    1.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8740    4.1582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730   -2.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5750   -1.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -0.3419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -3.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9769   -2.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -4.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -1.8419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9769   -1.0919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -2.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -1.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3712   -3.8910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9203   -0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8712    0.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193    0.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703   -1.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5184   -0.3419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5184    2.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5184    4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8174    1.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193    3.4081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5674    0.6091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193    4.9081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1165    4.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4155    4.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6291    7.2898    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4155    6.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2020    7.2898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1655    8.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6655    8.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2474   11.3565    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7838    9.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2839    9.9299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8203   11.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0339   12.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3937   11.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2790   10.8163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1966   14.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847   15.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 92100  1  0  0  0  0
100101  1  0  0  0  0
102103  1  0  0  0  0
103104  2  0  0  0  0
103105  1  0  0  0  0
103106  2  0  0  0  0
M  CHG  2  60   1 105  -1
M  END
>  <NSC>
125066

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
11056-06-7

>  <Molecular Formula in DIS>
C55H84N20O21S2.C55H84N17O21S3

>  <Molecular Weight (nearest integer)>
2841

>  <dtpname:USAN>
Bleomycin sulfate

>  <dtpname:INN:BAN>
Bleomycin

>  <dtpname:Brand Name>
Blenoxane

>  <dtpname:Chemical Name>
BLM

>  <dtpname:Chemical Name>
Bleo

>  <dtpname:Chemical Name>
Bleocin

$$$$
125973
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M  END
>  <NSC>
125973

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
33069-62-4

>  <Molecular Formula in DIS>
C47H51NO14

>  <Molecular Weight (nearest integer)>
854

>  <dtpname:USAN>
Paclitaxel

>  <dtpname:Brand Name>
Anzatax

>  <dtpname:Brand Name>
Taxol

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

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

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

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

$$$$
127716
  CML DOM 05031709562D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.3719    1.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4055   -3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729    3.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9874   -1.3307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262    1.0510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5252    3.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262    4.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5252    1.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729    1.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262   -0.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4398   -1.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763   -2.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5238   -2.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7954   -5.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8579   -3.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262    5.5510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <NSC>
127716

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
2353-33-5

>  <Molecular Formula in DIS>
C8H12N4O4

>  <Molecular Weight (nearest integer)>
228

>  <dtpname:USAN>
Decitabine

>  <dtpname:Brand Name>
Dacogen

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

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

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

$$$$
138783
  CML DOM 05031709562D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -2.6314    1.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6314   -0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3324   -1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333   -0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3324    1.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -0.9193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2749    0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    1.5078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304   -1.2057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2295   -0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304   -2.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5285   -1.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5285   -2.7057    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2295   -3.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2295   -4.9557    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7749    0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    1.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0249    1.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568    2.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7749    2.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2749    2.8923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0249    4.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2838   -2.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <NSC>
138783

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
3543-75-7

>  <Molecular Formula in DIS>
C16H21Cl2N3O2.ClH

>  <Molecular Weight (nearest integer)>
395

>  <dtpname:USAN>
bendamustine hydrochloride

>  <dtpname:Brand Name>
Ribomustin

>  <dtpname:Brand Name>
Treanda

>  <dtpname:Chemical Name>
IMET 3393

>  <dtpname:Chemical Name>
Cytostasan

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

>  <dtpname:Chemical Name>
SDX-105

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

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

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

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

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

$$$$
141540
  CML DOM 05031709562D

 46 52  0  0  0  0  0  0  0  0999 V2000
   -5.2224   -0.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2224    1.7280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1892   -7.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034   -5.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3140   -4.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8629   -2.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    0.5145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   -2.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571    2.7563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571   -1.7273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2904    3.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086    0.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    6.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003    5.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1978    5.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003    4.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1978    4.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    3.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    2.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1977    1.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003    1.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269    1.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4968    2.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003   -0.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1977   -0.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -0.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013   -0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4968   -0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1041    0.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269   -0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -6.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8010   -6.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6762   -6.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6404   -5.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274   -3.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3499   -3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477   -6.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4968    6.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    5.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2880   -7.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1632   -4.9536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0915   -2.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    8.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    6.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9984    5.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  1 30  1  0  0  0  0
  2 24  1  0  0  0  0
  2 30  1  0  0  0  0
  3 32  1  0  0  0  0
  3 41  1  0  0  0  0
  4 32  1  0  0  0  0
  4 34  1  0  0  0  0
  5 33  1  0  0  0  0
  5 37  1  0  0  0  0
 28  6  1  0  0  0  0
  6 37  1  0  0  0  0
 19  7  1  6  0  0  0
 28  8  1  1  0  0  0
 21  9  1  6  0  0  0
 25 10  1  1  0  0  0
 11 22  2  0  0  0  0
 12 22  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  2  0  0  0  0
 15 39  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 26  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 23 24  2  0  0  0  0
 24 27  1  0  0  0  0
 25 31  1  0  0  0  0
 25 28  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 29  2  0  0  0  0
 32 38  1  0  0  0  0
 33 34  1  0  0  0  0
 33 41  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 42  1  0  0  0  0
 36 37  1  0  0  0  0
 36 43  1  0  0  0  0
 39 40  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <NSC>
141540

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
33419-42-0

>  <Molecular Formula in DIS>
C29H32O13

>  <Molecular Weight (nearest integer)>
589

>  <dtpname:USAN>
Etoposide

>  <dtpname:Brand Name>
Toposar

>  <dtpname:Brand Name>
VePesid

>  <dtpname:Chemical Name>
VP-16

>  <dtpname:Chemical Name>
Epipodophyllotoxin VP-16213

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

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

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

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

>  <dtpname:Chemical Name>
EPE

>  <dtpname:Chemical Name>
Vepesid

>  <dtpname:Chemical Name>
Vepesid J

>  <dtpname:Chemical Name>
VP 16-213

>  <dtpname:Chemical Name>
ETOPOSIDE

>  <dtpname:Chemical Name>
NSC141540

>  <dtpname:Chemical Name>
NSC 141540

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

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

$$$$
169780
  CML DOM 05031709562D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -4.6115   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -2.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135   -1.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135   -0.2076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126    0.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9107    0.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3126   -3.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8837    0.5424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1827   -0.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4817    0.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1827    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8837    2.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1827    4.2924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7808   -0.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1654   -1.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4817    2.0424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6115   -1.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3346   -1.5067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 20  1  6  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <NSC>
169780

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
24584-09-6

>  <Molecular Formula in DIS>
C11H16N4O4

>  <Molecular Weight (nearest integer)>
268

>  <dtpname:USAN>
Dexrazoxane

>  <dtpname:Brand Name>
Zinecard

>  <dtpname:Brand Name>
Totect

>  <dtpname:Chemical Name>
ICRF-187

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

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

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

>  <dtpname:Chemical Name>
ADR 529

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

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

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

$$$$
180973
  CML DOM 05031709562D

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M  END
>  <NSC>
180973

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
54965-24-1

>  <Molecular Formula in DIS>
C26H29NO.C6H8O7

>  <Molecular Weight (nearest integer)>
564

>  <dtpname:USAN>
Tamoxifen citrate

>  <dtpname:INN:BAN>
Tamoxifen

>  <dtpname:Brand Name>
Nolvadex

>  <dtpname:Chemical Name>
TMX

>  <dtpname:Chemical Name>
ICI 46474 citrate

>  <dtpname:Chemical Name>
Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propane-tricarboxylate (1:1)

>  <dtpname:9th C.I.>
Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

>  <dtpname:9th C.I.>
Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

$$$$
218321
  CML DOM 05031709562D

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M  END
>  <NSC>
218321

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
53910-25-1

>  <Molecular Formula in DIS>
C11H16N4O4

>  <Molecular Weight (nearest integer)>
268

>  <dtpname:USAN>
Pentostatin

>  <dtpname:Brand Name>
Nipent

>  <dtpname:Chemical Name>
2'-Deoxycoformycin

>  <dtpname:Chemical Name>
2'-DCF

>  <dtpname:Chemical Name>
CI-825

>  <dtpname:Chemical Name>
Covidarabine

>  <dtpname:Chemical Name>
Co-Vidarabine

>  <dtpname:Chemical Name>
Deaminase inhibitor

>  <dtpname:Chemical Name>
Vira A deaminase inhibitor

>  <dtpname:Chemical Name>
Co-V

>  <dtpname:Chemical Name>
PD-ADI

>  <dtpname:Chemical Name>
CL 67310465

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

$$$$
226080
  CML DOM 05031709562D

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 46 45  1  6  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 61  1  1  0  0  0
 50 51  2  0  0  0  0
 50 58  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 59  1  6  0  0  0
 61 62  1  0  0  0  0
 63 64  1  0  0  0  0
M  END
>  <NSC>
226080

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
53123-88-9

>  <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

$$$$
241240
  CML DOM 05031709562D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.9267   -1.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276    0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286   -1.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0158    2.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0765    0.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9705   -0.5603    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    0.3286    3.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9705    0.9397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4647    2.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4477   -0.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4835   -1.9698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5193   -3.1189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9607   -2.2303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4119   -1.4489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9607    1.1097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 11  7  1  0  0  0  0
 10  8  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <NSC>
241240

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
41575-94-4

>  <Molecular Formula in DIS>
C6H12N2O4Pt

>  <Molecular Weight (nearest integer)>
371

>  <dtpname:USAN>
Carboplatin

>  <dtpname:Brand Name>
Paraplatin

>  <dtpname:Brand Name>
Paraplat

>  <dtpname:Chemical Name>
CBDCA

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

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

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

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

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

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

$$$$
246131
  CML DOM 05031709562D

 51 55  0  0  0  0  0  0  0  0999 V2000
   -5.6857   -2.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6857    3.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095   -4.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896   -2.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6857    2.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3867    1.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2838    2.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5829    1.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9848    1.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0877    2.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7886    1.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896    2.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095    1.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5829   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9848   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3867   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7886   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2838   -0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6857   -0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0877   -0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896   -0.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095   -3.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085   -2.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076   -3.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085   -5.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076   -4.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2838   -2.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5829   -3.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066   -5.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0877   -2.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0877    3.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1085   -3.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867    1.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3225    2.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7997    2.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3127    4.3757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7899    4.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3030    6.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7802    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2932    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583    3.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7541    3.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8557   -3.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5952   -4.8953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7782   -4.3146    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747   -2.3920    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7522   -1.4955    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7704    7.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066   -2.4539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2  5  2  0  0  0  0
  3 23  1  0  0  0  0
  3 26  1  0  0  0  0
 22  4  1  6  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 16  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 34  1  6  0  0  0
 13 35  1  0  0  0  0
 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 22  1  0  0  0  0
 19 28  1  0  0  0  0
 21 31  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  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  1  0  0  0  0
 35 42  2  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
 38 43  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 50  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 44 51  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 49  1  0  0  0  0
M  END
>  <NSC>
246131

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
56124-62-0

>  <Molecular Formula in DIS>
C34H36F3NO13

>  <Molecular Weight (nearest integer)>
724

>  <dtpname:USAN>
Valrubicin

>  <dtpname:Brand Name>
Valtaxin

>  <dtpname:Brand Name>
Valstar

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

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

>  <dtpname:Chemical Name>
AD 32

>  <dtpname:Chemical Name>
Antibiotic AD 32

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

>  <dtpname:Chemical Name>
NSC-246131

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

$$$$
256439
  CML DOM 05031709562D

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.5546   -1.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8046    0.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0546   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954    0.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546    1.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046    0.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046   -2.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454    1.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4454   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8046    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3046    0.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3046   -2.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9454    1.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954   -2.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9454   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2141    3.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5441    4.2532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546    1.4770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546   -3.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6954    2.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6954    0.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6954   -2.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4746    4.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3632    2.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5546   -1.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1954    0.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9454   -3.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1954   -2.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9454    1.4770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9454   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9454   -3.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4454   -1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4454   -3.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1954   -2.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3046   -2.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1954    2.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3046    2.7760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5546    1.4770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8654    4.7662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8046   -2.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  2  0  0  0  0
 24 16  1  0  0  0  0
 25 17  1  0  0  0  0
 26 17  2  0  0  0  0
 27 20  1  0  0  0  0
 28 23  1  0  0  0  0
 29 24  2  0  0  0  0
 30 24  1  0  0  0  0
 31 28  2  0  0  0  0
 32 28  1  0  0  0  0
 33 30  2  0  0  0  0
 34 32  2  0  0  0  0
 35 33  1  0  0  0  0
 36 34  1  0  0  0  0
 14 10  1  0  0  0  0
 20 12  1  0  0  0  0
 23 16  1  0  0  0  0
 32 30  1  0  0  0  0
 36 35  2  0  0  0  0
 27 37  1  0  0  0  0
 22 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 18 41  1  0  0  0  0
 15 42  1  0  0  0  0
M  END
>  <NSC>
256439

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
57852-57-0

>  <Molecular Formula in DIS>
C26H27NO9.ClH

>  <Molecular Weight (nearest integer)>
534

>  <dtpname:Chemical Name>
4-DMD HCl

>  <dtpname:Chemical Name>
IDARUBICIN HYDROCHLORIDE

>  <dtpname:Chemical Name>
Idarubicin hydrochloride

>  <dtpname:Chemical Name>
4-Demethoxydaunorubicin hydrochloride

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

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

$$$$
256942
  CML DOM 05031709562D

 40 43  0  0  0  0  0  0  0  0999 V2000
   -7.8317    1.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8317    0.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5327   -0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2336    0.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2336    1.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5327    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9346   -0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6355    0.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6355    1.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9346    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3365   -0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    0.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375    1.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3365    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616   -0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606    0.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606    1.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9346    4.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0378    1.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0020    2.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509    0.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5732   -2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2742   -3.0248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606   -2.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0840   -4.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3831   -3.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0966   -4.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616   -1.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9346   -1.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5327   -1.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8317   -2.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3365   -1.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3365    4.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736    3.1869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792    2.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957   -4.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8337   -0.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6435   -5.2654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9018    5.5273    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  2  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 19  2  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 39  1  0  0  0  0
 28 37  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <NSC>
256942

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
56390-09-1

>  <Molecular Formula in DIS>
C27H29NO11.ClH

>  <Molecular Weight (nearest integer)>
580

>  <dtpname:Chemical Name>
4'-Epiadriamycin

>  <dtpname:Chemical Name>
Pidorubicin hydrochloride

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

>  <dtpname:Chemical Name>
Epirubicin

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

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

$$$$
266046
  CML DOM 05031709562D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8533    2.5839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533   -2.5838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2432    1.2136    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.2432   -1.2135    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0559   -1.9635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0559    1.9636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6385    0.0000    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    1.5202   -1.2135    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5202    1.2136    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9468   -0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9468    0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1603   -1.6316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1603    1.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2678    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2678   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9688   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6698   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6697    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9688    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
 18  3  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
 17  4  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
M  CHG  5   3   1   4   1   7   2   8  -1   9  -1
M  END
>  <NSC>
266046

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
61825-94-3

>  <Molecular Formula in DIS>
C8H14N2O4Pt

>  <Molecular Weight (nearest integer)>
397

>  <dtpname:USAN>
Oxaliplatin

>  <dtpname:Brand Name>
Eloxatin

>  <dtpname:Brand Name>
Dacotin

>  <dtpname:Chemical Name>
Oxalatoplatin

>  <dtpname:Chemical Name>
Oxalatoplatinum

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

>  <dtpname:Chemical Name>
1-OHP

>  <dtpname:Chemical Name>
DACPLAT

>  <dtpname:Chemical Name>
RP 54780

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

$$$$
279836
  CML DOM 05031709562D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -1.2178    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9784   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9784    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2774   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2774    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5168    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1149    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4140    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5168   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1149   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4140   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2774    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2774   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7130    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7130   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8159    3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8159   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 25  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  1  0  0  0  0
 18 29  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 27  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  1  0  0  0  0
 23 32  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <NSC>
279836

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
65271-80-9

>  <Molecular Formula in DIS>
C22H28N4O6

>  <Molecular Weight (nearest integer)>
444

>  <dtpname:USAN>
Mitoxantrone

>  <dtpname:INN:BAN>
Mitozantrone

>  <dtpname:Brand Name>
Novantrone

>  <dtpname:Chemical Name>
DHAQ

>  <dtpname:Chemical Name>
Dihydroxyanthraquinone

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

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

>  <dtpname:Chemical Name>
Mitroxone

>  <dtpname:Chemical Name>
Mitoxantrone hydrochloride

$$$$
296961
  CML DOM 05031709562D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.1250   -2.1651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -2.1651    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3751    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8751    3.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1250   -0.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.4330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -3.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1251    4.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <NSC>
296961

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
20537-88-6

>  <Molecular Formula in DIS>
C5H15N2O3PS

>  <Molecular Weight (nearest integer)>
214

>  <dtpname:USAN>
Amifostine

>  <dtpname:Brand Name>
Ethyol

>  <dtpname:Chemical Name>
Ethiofos

>  <dtpname:Chemical Name>
Aminopropylaminoethyl thiophosphate

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

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

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

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

>  <dtpname:Chemical Name>
SAPEP

>  <dtpname:Chemical Name>
WR 2721C

>  <dtpname:Chemical Name>
WR 2721

>  <dtpname:Chemical Name>
AU-95722

>  <dtpname:Chemical Name>
Gammaphos

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

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

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

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

$$$$
362856
  CML DOM 05031709562D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.1242    0.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127   -1.0971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1921   -1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4853   -1.0772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4738    0.4228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1690    1.1628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5543    0.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266   -0.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -1.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0288    2.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0337    3.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2037   -3.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4984    2.5789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7901   -1.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <NSC>
362856

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
85622-93-1

>  <Molecular Formula in DIS>
C6H6N6O2

>  <Molecular Weight (nearest integer)>
194

>  <dtpname:USAN>
Temozolomide

>  <dtpname:Brand Name>
Methazolastone

>  <dtpname:Brand Name>
Temodar

>  <dtpname:Brand Name>
Temodal

>  <dtpname:Chemical Name>
TMZ

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

$$$$
369100
  CML DOM 05031709562D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -3.7752   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7752   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4761   -2.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771   -1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771   -0.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4762    0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1219    0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1219    1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771    2.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4302    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9428   -3.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771    4.1143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
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 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <NSC>
369100

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
99011-02-6

>  <Molecular Formula in DIS>
C14H16N4

>  <Molecular Weight (nearest integer)>
240

>  <dtpname:USAN>
Imiquimod

>  <dtpname:Brand Name>
Aldara

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

$$$$
409962
  CML DOM 05031709562D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -4.8714   -0.5625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2733   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9228   -0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2219    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743    1.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2733    2.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6238    0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5209   -0.5625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <NSC>
409962

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
154-93-8

>  <Molecular Formula in DIS>
C5H9Cl2N3O2

>  <Molecular Weight (nearest integer)>
214

>  <dtpname:USAN>
Carmustine

>  <dtpname:Brand Name>
Bi CNU

>  <dtpname:Chemical Name>
BCNU

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

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

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

>  <dtpname:Chemical Name>
Nitrumon

>  <dtpname:Chemical Name>
Carmustin

>  <dtpname:Chemical Name>
Carmubris

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

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

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

>  <dtpname:Chemical Name>
SRI 1720

>  <dtpname:Chemical Name>
SK 27702

>  <dtpname:Chemical Name>
FDA 0345

>  <dtpname:Chemical Name>
NSC 409962

>  <dtpname:Chemical Name>
NSC-409962

>  <dtpname:Chemical Name>
NCI-C04773

>  <dtpname:Chemical Name>
WLN: ONN2GVM2G

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

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

$$$$
606869
  CML DOM 05031709562D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -3.0389   -1.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7648   -2.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182   -1.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4282   -2.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7081   -0.6161    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2629    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <NSC>
606869

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C10H11ClFN5O3

>  <Molecular Weight (nearest integer)>
304

>  <dtpname:USAN>
Clofarabine

>  <dtpname:Brand Name>
Clolar

>  <dtpname:Brand Name>
Clofarex

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

>  <dtpname:Chemical Name>
CAFdA

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

$$$$
608210
  CML DOM 05031709562D

 70 77  0  0  0  0  0  0  0  0999 V2000
   -7.3674    2.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6114    3.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1457    3.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9957    1.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3555    4.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8555    4.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6114    3.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
608210

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C45H54N4O8.2C4H6O6

>  <Molecular Weight (nearest integer)>
1079

>  <dtpname:USAN>
Vinorelbine tartrate

>  <dtpname:INN:BAN>
Vinorelbine

>  <dtpname:Brand Name>
Navelbine

>  <dtpname:Brand Name>
Biovelbin

>  <dtpname:Chemical Name>
Navelbine ditartrate

>  <dtpname:Chemical Name>
Vinorelbine ditartrate

$$$$
609699
  CML DOM 05031709562D

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M  END
>  <NSC>
609699

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
119413-54-6

>  <Molecular Formula in DIS>
C23H23N3O5.ClH

>  <Molecular Weight (nearest integer)>
458

>  <dtpname:USAN>
Topotecan hydrochloride

>  <dtpname:INN:BAN>
Topotecan

>  <dtpname:Brand Name>
Hycamtin

>  <dtpname:Chemical Name>
Hycamptamine

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

>  <dtpname:Chemical Name>
SKF 104864A

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

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

$$$$
613327
  CML DOM 05031709562D

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M  END
>  <NSC>
613327

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C9H11F2N3O4.ClH

>  <Molecular Weight (nearest integer)>
300

>  <dtpname:USAN>
Gemcitabine hydrochloride

>  <dtpname:INN:BAN>
Gemcitabine

>  <dtpname:Brand Name>
Gemzar

>  <dtpname:Chemical Name>
Difluorodeoxycytidine hydrochloride

>  <dtpname:Chemical Name>
dFdCyd

>  <dtpname:Chemical Name>
dFdC

>  <dtpname:Chemical Name>
LY-188011

$$$$
628503
  CML DOM 05031709562D

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M  END
>  <NSC>
628503

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C43H53NO14

>  <Molecular Weight (nearest integer)>
808

>  <dtpname:USAN>
Docetaxel

>  <dtpname:Brand Name>
Taxotere

>  <dtpname:Chemical Name>
TXT

>  <dtpname:Chemical Name>
RP 56976

$$$$
673596
  CML DOM 05031709562D

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 19 22  2  0  0  0  0
 20 23  1  1  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <NSC>
673596

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C22H20N2O5

>  <Molecular Weight (nearest integer)>
392

>  <dtpname:Chemical Name>
SN-38

>  <dtpname:Chemical Name>
SN 38

>  <dtpname:Chemical Name>
7-Ethyl-10-hydroxycamptothecin

>  <dtpname:Chemical Name>
7-Ethyl-10-hydroxy-20(S)-camptothecin

>  <dtpname:Chemical Name>
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-

$$$$
681239
  CML DOM 05031709562D

 28 29  0  0  0  0  0  0  0  0999 V2000
   -3.4796    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4796    1.6339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <NSC>
681239

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
179324-69-7

>  <Molecular Formula in DIS>
C19H25BN4O4

>  <Molecular Weight (nearest integer)>
384

>  <dtpname:USAN>
Bortezomib

>  <dtpname:Brand Name>
Velcade

>  <dtpname:Chemical Name>
PS-341

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

>  <dtpname:Chemical Name>
LDP341

>  <dtpname:Chemical Name>
MLN341

>  <dtpname:Chemical Name>
PROSCRIPT Boronic acid

$$$$
686673
  CML DOM 05031709562D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2260   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <NSC>
686673

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C11H15N5O5

>  <Molecular Weight (nearest integer)>
297

>  <dtpname:USAN>
Nelarabine

>  <dtpname:Brand Name>
Arranon

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

>  <dtpname:Chemical Name>
GW 506U78

>  <dtpname:Chemical Name>
506U78

$$$$
698037
  CML DOM 05031709562D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 21 22  1  6  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <NSC>
698037

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C20H21N5O6

>  <Molecular Weight (nearest integer)>
427

>  <dtpname:USAN>
Pemetrexed Disodium

>  <dtpname:INN:BAN>
Pemetrexed

>  <dtpname:Brand Name>
Alimta

>  <dtpname:Brand Name>
Rolazar

>  <dtpname:Brand Name>
Tifolar

>  <dtpname:Chemical Name>
MTA

>  <dtpname:Chemical Name>
LY231514

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

$$$$
701852
  CML DOM 05031709562D

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 17 18  1  0  0  0  0
M  END
>  <NSC>
701852

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
149647-78-9

>  <Molecular Formula in DIS>
C14H20N2O3

>  <Molecular Weight (nearest integer)>
264

>  <dtpname:USAN>
Vorinostat

>  <dtpname:Brand Name>
Zolinza

>  <dtpname:Chemical Name>
SAHA

>  <dtpname:Chemical Name>
Suberoylanilide hydroxamic acid

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

>  <dtpname:Chemical Name>
SKI390

>  <dtpname:Chemical Name>
WIN64652

>  <dtpname:Chemical Name>
L-001079038

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

$$$$
702294
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M  CHG  1  37   1
M  END
>  <NSC>
702294

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C23H32Cl2NO6P.2Na

>  <Molecular Weight (nearest integer)>
566

>  <dtpname:USAN>
Estramustine phosphate sodium

>  <dtpname:Brand Name>
Estracyt

>  <dtpname:Brand Name>
Emcyte

>  <dtpname:Chemical Name>
Estramustine sodium phosphate

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

>  <dtpname:Chemical Name>
Leo-299

>  <dtpname:Chemical Name>
EM

$$$$
707389
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M  END
>  <NSC>
707389

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

$$$$
712807
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M  END
>  <NSC>
712807

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C15H22FN3O6

>  <Molecular Weight (nearest integer)>
359

>  <dtpname:USAN>
Capecitabine

>  <dtpname:Brand Name>
Xeloda

>  <dtpname:Chemical Name>
CAPE

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

$$$$
713563
  CML DOM 05031709562D

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M  END
>  <NSC>
713563

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C20H24O2

>  <Molecular Weight (nearest integer)>
296

>  <dtpname:USAN>
Exemestane

>  <dtpname:Brand Name>
Aromasin

>  <dtpname:Chemical Name>
PNU 155971

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

>  <dtpname:Chemical Name>
FCE-24304

$$$$
715055
  CML DOM 05031709562D

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M  END
>  <NSC>
715055

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C22H24ClFN4O3

>  <Molecular Weight (nearest integer)>
447

>  <dtpname:USAN>
Gefitinib

>  <dtpname:Brand Name>
Iressa

>  <dtpname:Chemical Name>
ZD1839

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

$$$$
718781
  CML DOM 05031709562D

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M  END
>  <NSC>
718781

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C22H23N3O4.HCl

>  <Molecular Weight (nearest integer)>
430

>  <dtpname:USAN>
Erlotinib hydrochloride

>  <dtpname:Brand Name>
Tarceva

>  <dtpname:Chemical Name>
OSI-744

>  <dtpname:Chemical Name>
Erlotinib

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

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

$$$$
719276
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 38 39  1  0  0  0  0
 39 42  1  0  0  0  0
 39 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <NSC>
719276

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <dtpname:USAN>
Fulvestrant

>  <dtpname:Brand Name>
Faslodex

>  <dtpname:Chemical Name>
ICI 182,780

$$$$
719344
  CML DOM 05031709562D

 22 23  0  0  0  0  0  0  0  0999 V2000
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   -0.8117   -1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7864   -1.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4874    1.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1107   -1.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5666    0.3058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0338    0.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7838   -0.6814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  3  0  0  0  0
 17 18  3  0  0  0  0
M  END
>  <NSC>
719344

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
120511-73-1

>  <Molecular Formula in DIS>
C17H19N5

>  <Molecular Weight (nearest integer)>
293

>  <dtpname:Brand Name>
Arimidex

>  <dtpname:Chemical Name>
ZD1033

>  <dtpname:Chemical Name>
ICI D1033

>  <dtpname:Chemical Name>
Anastrozole

>  <dtpname:Chemical Name>
Arimidex (Zeneca)

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

>  <dtpname:Chemical Name>
ANAS

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

$$$$
719345
  CML DOM 05031709562D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -3.8971   -1.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  3  0  0  0  0
 21 22  3  0  0  0  0
M  END
>  <NSC>
719345

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C17H11N5

>  <Molecular Weight (nearest integer)>
285

>  <dtpname:USAN>
Letrozole

>  <dtpname:Brand Name>
Femara

>  <dtpname:Chemical Name>
LT2

>  <dtpname:Chemical Name>
CGS 20267

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

$$$$
719627
  CML DOM 05031709562D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.0696    3.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3814    1.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2667    0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1599    1.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4718    2.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6430    3.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1812   -2.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1812   -3.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802   -4.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793   -3.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4918   -0.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1178   -1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9836   -1.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8268   -2.5458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4754   -1.2108    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 18 21  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <NSC>
719627

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
169590-42-5

>  <Molecular Formula in DIS>
C17H14F3N3O2S

>  <Molecular Weight (nearest integer)>
381

>  <dtpname:USAN>
Celecoxib

>  <dtpname:Brand Name>
Celebrex

>  <dtpname:Chemical Name>
SC-58635

>  <dtpname:Chemical Name>
YM177

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

$$$$
721517
  CML DOM 05031709562D

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   -3.5817    2.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7781    1.0977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680    2.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0281   -0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4969   -0.2013    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4969    1.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4719   -2.2263    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.4719   -0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 16  1  0  0  0  0
M  END
>  <NSC>
721517

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
118072-93-8

>  <Molecular Formula in DIS>
C5H10N2O7P2

>  <Molecular Weight (nearest integer)>
272

>  <dtpname:USAN>
Zoledronic acid

>  <dtpname:Brand Name>
Zometa

>  <dtpname:Chemical Name>
Zoledronate

>  <dtpname:Chemical Name>
CPG 42446

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

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

$$$$
732517
  CML DOM 05031709562D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -8.0951    2.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0951    0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <NSC>
732517

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C22H26ClN7O2S

>  <Molecular Weight (nearest integer)>
488

>  <dtpname:USAN>
Dasatinib

>  <dtpname:Brand Name>
Sprycel

>  <dtpname:Chemical Name>
BMS-354825

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

$$$$
733504
  CML DOM 05031709562D

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M  END
>  <NSC>
733504

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C53H83NO14

>  <Molecular Weight (nearest integer)>
958

>  <dtpname:USAN>
Everolimus

>  <dtpname:Brand Name>
Afinitor

$$$$
737754
  CML DOM 05031709562D

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M  END
>  <NSC>
737754

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C21H23N7O2S.HCl

>  <Molecular Weight (nearest integer)>
474

$$$$
743414
  CML DOM 05031709562D

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 30 31  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
M  END
>  <NSC>
743414

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
152459-95-5

>  <Molecular Formula in DIS>
C29H31N7O

>  <Molecular Weight (calculated from formula)>
493.60

>  <dtpname:USAN>
Imatinib mesylate

>  <dtpname:Brand Name>
Gleevec

>  <dtpname:Brand Name>
Glivec

>  <dtpname:Chemical Name>
Imatinib

>  <dtpname:Chemical Name>
STI571

>  <dtpname:Chemical Name>
CGP 57148

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

$$$$
745750
  CML DOM 05031709562D

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 35 40  1  0  0  0  0
M  END
>  <NSC>
745750

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C29H26ClFN4O4S

>  <Molecular Weight (calculated from formula)>
581.06

>  <dtpname:USAN>
Lapatinib ditosylate

>  <dtpname:Brand Name>
Tykerb

>  <dtpname:Chemical Name>
Lapatinib

>  <dtpname:Chemical Name>
GW 572016

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

$$$$
747599
  CML DOM 05031709562D

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M  END
>  <NSC>
747599

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
641571-10-0

>  <Molecular Formula in DIS>
C28H22F3N7O

>  <Molecular Weight (calculated from formula)>
529.52

>  <dtpname:USAN>
Nilotinib

>  <dtpname:Brand Name>
Tasigna

>  <dtpname:Chemical Name>
AMN107

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

$$$$
747971
  CML DOM 05031709562D

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M  END
>  <NSC>
747971

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C21H16ClF3N4O3

>  <Molecular Weight (calculated from formula)>
464.83

>  <dtpname:USAN>
Sorafenib tosylate

>  <dtpname:Brand Name>
Nexavar

>  <dtpname:Chemical Name>
Sorafenib

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

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

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

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

>  <dtpname:Chemical Name>
SFN

$$$$
747972
  CML DOM 05031709562D

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M  END
>  <NSC>
747972

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
191732-72-6

>  <Molecular Formula in DIS>
C13H13N3O3

>  <Molecular Weight (calculated from formula)>
259.26

>  <dtpname:USAN>
Lenalidomide

>  <dtpname:Brand Name>
Revlimid

>  <dtpname:Chemical Name>
CC-5013

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

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

$$$$
747973
  CML DOM 05031709562D

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M  END
>  <NSC>
747973

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
219989-84-1

>  <Molecular Formula in DIS>
C27H42N2O5S

>  <Molecular Weight (calculated from formula)>
506.70

>  <dtpname:USAN>
Ixabepilone

>  <dtpname:Brand Name>
Ixempra

>  <dtpname:Chemical Name>
Azaepothilone B

>  <dtpname:Chemical Name>
BMS-247550

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

$$$$
747974
  CML DOM 05031709562D

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M  END
>  <NSC>
747974

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
84449-90-1

>  <Molecular Formula in DIS>
C28H27NO4S

>  <Molecular Weight (calculated from formula)>
473.58

>  <dtpname:USAN>
Raloxifene hydrochloride

>  <dtpname:Brand Name>
Evista

>  <dtpname:Chemical Name>
Raloxifene

>  <dtpname:Chemical Name>
LY 139481

>  <dtpname:Chemical Name>
Keoxifene

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

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

$$$$
749226
  CML DOM 05031709562D

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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <NSC>
749226

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C24H31NO

>  <Molecular Weight (calculated from formula)>
349.51

>  <dtpname:Chemical Name>
Abiraterone

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

$$$$
750690
  CML DOM 05031709562D

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M  END
>  <NSC>
750690

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
557795-19-4

>  <Molecular Formula in DIS>
C22H27FN4O2

>  <Molecular Weight (calculated from formula)>
398.47

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

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

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

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

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

$$$$
754143
  CML DOM 05031709562D

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M  END
>  <NSC>
754143

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
128517-07-7

>  <Molecular Formula in DIS>
C24H36N4O6S2

>  <Molecular Weight (calculated from formula)>
540.70

>  <dtpname:Chemical Name>
Depsipeptide

>  <dtpname:Chemical Name>
Antibiotic FR 901228

>  <dtpname:Chemical Name>
ROMIDEPSIN

>  <dtpname:Chemical Name>
Romidepsin

>  <dtpname:Chemical Name>
API0005301

>  <dtpname:Chemical Name>
FK228

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

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

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

$$$$
754230
  CML DOM 05031709562D

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M  END
>  <NSC>
754230

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
146464-95-1

>  <Molecular Formula in DIS>
C23H23N7O5

>  <Molecular Weight (calculated from formula)>
477.47

>  <dtpname:Chemical Name>
pralatrexate

>  <dtpname:Chemical Name>
Folotyn

$$$$
755986
  CML DOM 05031709562D

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M  END
>  <NSC>
755986

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
879085-55-9

>  <Molecular Formula in DIS>
C19H14Cl2N2O3S

>  <Molecular Weight (calculated from formula)>
421.30

>  <dtpname:USAN>
Vismodegib

>  <dtpname:Chemical Name>
Vismodegib, free base

>  <dtpname:Chemical Name>
GDC-0449

>  <dtpname:Chemical Name>
V-4050

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

$$$$
756645
  CML DOM 05031709562D

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M  END
>  <NSC>
756645

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
877399-52-5

>  <Molecular Formula in DIS>
C21H22Cl2FN5O

>  <Molecular Weight (calculated from formula)>
450.34

>  <dtpname:Chemical Name>
PF-2341066

>  <dtpname:Chemical Name>
Crizotinib

>  <dtpname:Chemical Name>
Xalkori

>  <dtpname:Chemical Name>
S1068

$$$$
757441
  CML DOM 05031709562D

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M  END
>  <NSC>
757441

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
319460-85-0

>  <Molecular Formula in DIS>
C22H18N4OS

>  <Molecular Weight (calculated from formula)>
386.47

>  <dtpname:Chemical Name>
AG-013736

>  <dtpname:Chemical Name>
Axitinib

>  <dtpname:Chemical Name>
S1005

$$$$
760766
  CML DOM 05031709562D

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M  END
>  <NSC>
760766

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
443913-73-3

>  <Molecular Formula in DIS>
C22H24BrFN4O2

>  <Molecular Weight (calculated from formula)>
475.35

>  <dtpname:Chemical Name>
Vandetanib

>  <dtpname:Chemical Name>
V-9402

$$$$
761431
  CML DOM 05031709562D

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 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 21 22  1  0  0  0  0
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <NSC>
761431

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <Molecular Formula in DIS>
C23H18ClF2N3O3S

>  <Molecular Weight (calculated from formula)>
489.92

>  <dtpname:Chemical Name>
vemurafenib

>  <dtpname:Chemical Name>
Zelboraf

>  <dtpname:Chemical Name>
PLX4032

>  <dtpname:Chemical Name>
RG7204

$$$$
761432
  CML DOM 05031709562D

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M  END
>  <NSC>
761432

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
183133-96-2

>  <Molecular Formula in DIS>
C45H57NO14

>  <Molecular Weight (calculated from formula)>
835.93

>  <dtpname:USAN>
Cabazitaxel

>  <dtpname:Chemical Name>
JEVTANA

>  <dtpname:Chemical Name>
XRP6258

$$$$
763371
  CML DOM 05031709562D

 23 26  0  0  0  0  0  0  0  0999 V2000
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   -0.4188   -4.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1793   -4.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <NSC>
763371

>  <Release>
June 2016

>  <Structure Source>
NCI/DIS 2D

>  <CAS>
941678-49-5

>  <Molecular Formula in DIS>
C17H18N6

>  <Molecular Weight (calculated from formula)>
306.37

$$$$
