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60Y

60Y
Name:	3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
Formula:	C22 H18 F N7 O S
SMILES:	c1ccc(C#N)cc1c5cc(C34CN(c2ncc(F)cn2)CC3C(=O)N(C)C(=N)N4)sc5
InChi:	InChI=1S/C22H18FN7OS/c1-29-19(31)17-10-30(21-26-8-16(23)9-27-21)12-22(17,28-20(29)25)18-6-15(11-32-18)14-4-2-3-13(5-14)7-24/h2-6,8-9,11,17H,10,12H2,1H3,(H2,25,28)/t17-,22-/m0/s1
Definition date:	2016-01-12
Last modified:	2016-03-11
Release date:	2016-03-16
Identifier:	3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile

NS8

NS8
Name:	trans beta nitrostyrene
Formula:	C8 H7 N O2
SMILES:	[O-][N+]([C@H]=Cc1ccccc1)=O
InChi:	InChI=1S/C8H7NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
Definition date:	2015-07-16
Last modified:	2016-03-04
Release date:	2016-03-09
Identifier:	[(E)-2-nitroethenyl]benzene

XBZ

XBZ
Name:	1,2,4-trimethylbenzene
Formula:	C9 H12
SMILES:	c1c(ccc(c1C)C)C
InChi:	InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
Definition date:	2014-11-11
Last modified:	2016-02-26
Release date:	2016-03-02
Identifier:	1,2,4-trimethylbenzene

AZW

AZW
Name:	4-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate
Formula:	C14 H15 N2 O5 P
SMILES:	P(O)(OCc1ccc(cc1)N=Nc2ccc(cc2)CO)(O)=O
InChi:	InChI=1S/C14H15N2O5P/c17-9-11-1-5-13(6-2-11)15-16-14-7-3-12(4-8-14)10-21-22(18,19)20/h1-8,17H,9-10H2,(H2,18,19,20)/b16-15+
Definition date:	2015-12-04
Last modified:	2016-02-12
Release date:	2016-02-17
Identifier:	4-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate

5E7

5E7
Name:	N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Formula:	C36 H49 N5 O7 S
SMILES:	CN(S(=O)(C)=O)c2cc(C(=O)NC(Cc1ccccc1)C(CNC(C(C)O)C(=O)NCC(C)C)O)cc(c2)C(=O)NC(C)c3ccccc3
InChi:	InChI=1S/C36H49N5O7S/c1-23(2)21-38-36(46)33(25(4)42)37-22-32(43)31(17-26-13-9-7-10-14-26)40-35(45)29-18-28(19-30(20-29)41(5)49(6,47)48)34(44)39-24(3)27-15-11-8-12-16-27/h7-16,18-20,23-25,31-33,37,42-43H,17,21-22H2,1-6H3,(H,38,46)(H,39,44)(H,40,45)/t24-,25+,31+,32-,33+/m1/s1
Definition date:	2015-09-15
Last modified:	2016-02-12
Release date:	2016-02-17
Identifier:	N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

S2O

S2O
Name:	4-(2-hydroxyethyl)benzenesulfonamide
Formula:	C8 H11 N O3 S
SMILES:	O=S(=O)(N)c1ccc(cc1)CCO
InChi:	InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)
Definition date:	2015-03-24
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	4-(2-hydroxyethyl)benzenesulfonamide

4B1

4B1
Name:	N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide
Formula:	C30 H29 N5 O8 S2
SMILES:	O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccc([N+]([O-])=O)cc2)CNC3)Cc4ccccc4)c5cc([N+]([O-])=O)ccc5
InChi:	InChI=1S/C30H29N5O8S2/c36-34(37)25-14-16-27(17-15-25)44(40,41)32(21-23-8-3-1-4-9-23)29-19-31-20-30(29)33(22-24-10-5-2-6-11-24)45(42,43)28-13-7-12-26(18-28)35(38)39/h1-18,29-31H,19-22H2/t29-,30-/m0/s1
Definition date:	2015-02-23
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide

5TD

5TD
Name:	4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile
Formula:	C19 H25 N3 O
SMILES:	O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)N3CCCC3
InChi:	InChI=1S/C19H25N3O/c20-15-17-3-6-18(7-4-17)21-13-9-16(10-14-21)5-8-19(23)22-11-1-2-12-22/h3-4,6-7,16H,1-2,5,8-14H2
Definition date:	2015-11-28
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile

4J8

4J8
Name:	4-methylbenzenesulfonamide
Formula:	C7 H9 N O2 S
SMILES:	c1(ccc(S(=O)(=O)N)cc1)C
InChi:	InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
Definition date:	2015-03-23
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	4-methylbenzenesulfonamide

4JC

4JC
Name:	4-ethylbenzenesulfonamide
Formula:	C8 H11 N O2 S
SMILES:	O=S(N)(=O)c1ccc(cc1)CC
InChi:	InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
Definition date:	2015-03-23
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	4-ethylbenzenesulfonamide

4JE

4JE
Name:	4-propylbenzenesulfonamide
Formula:	C9 H13 N O2 S
SMILES:	C(Cc1ccc(cc1)S(=O)(=O)N)C
InChi:	InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
Definition date:	2015-03-23
Last modified:	2016-01-29
Release date:	2016-02-03
Identifier:	4-propylbenzenesulfonamide

48M

48M
Name:	4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile
Formula:	C30 H27 Cl2 N5 O3
SMILES:	CC(C)Oc1cc(ccc1C2=N[CH]([CH](N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5cccc(Cl)c5)C#N
InChi:	InChI=1S/C30H27Cl2N5O3/c1-18(2)40-25-14-19(16-33)6-11-24(25)29-35-27(21-4-3-5-23(32)15-21)28(20-7-9-22(31)10-8-20)37(29)30(39)36-13-12-34-26(38)17-36/h3-11,14-15,18,27-28H,12-13,17H2,1-2H3,(H,34,38)/t27-,28+/m0/s1
Definition date:	2015-03-28
Last modified:	2016-01-22
Release date:	2016-01-27
Identifier:	4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile

4A6

4A6
Name:	[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium
Formula:	C10 H14 Ru
SMILES:	[Ru]\|1\|2\|3\|4\|5\|C6=C\|1[C]\|2(=C\|3C\|4=[C]\|56=C)=C(C)C
InChi:	InChI=1S/C10H8.Ru/c1-8(2)10-6-4-9(3)5-7-10
Definition date:	2015-02-27
Last modified:	2016-01-22
Release date:	2016-01-27

BC5

BC5
Name:	4'-aminobiphenyl-4-sulfonamide
Formula:	C12 H12 N2 O2 S
SMILES:	S(=O)(N)(=O)c1ccc(cc1)c2ccc(cc2)N
InChi:	InChI=1S/C12H12N2O2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
Definition date:	2015-10-01
Last modified:	2016-01-15
Release date:	2016-01-20
Identifier:	4'-aminobiphenyl-4-sulfonamide

B7I

B7I
Name:	2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole)
Formula:	C25 H28 N4 O2
SMILES:	c1cc(ccc1c2nccn2)OCCCCCCCOc3ccc(cc3)c4nccn4
InChi:	InChI=1S/C25H28N4O2/c1(2-4-18-30-22-10-6-20(7-11-22)24-26-14-15-27-24)3-5-19-31-23-12-8-21(9-13-23)25-28-16-17-29-25/h6-17H,1-5,18-19H2,(H,26,27)(H,28,29)
Definition date:	2015-09-07
Last modified:	2016-01-15
Release date:	2016-01-20
Identifier:	2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole)

5CX

5CX
Name:	2'-(propan-2-yl)biphenyl-4-sulfonamide
Formula:	C15 H17 N O2 S
SMILES:	S(=O)(N)(=O)c1ccc(cc1)c2ccccc2C(C)C
InChi:	InChI=1S/C15H17NO2S/c1-11(2)14-5-3-4-6-15(14)12-7-9-13(10-8-12)19(16,17)18/h3-11H,1-2H3,(H2,16,17,18)
Definition date:	2015-09-07
Last modified:	2016-01-15
Release date:	2016-01-20
Identifier:	2'-(propan-2-yl)biphenyl-4-sulfonamide

5D0

5D0
Name:	2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine
Formula:	C25 H32 N4 O2
SMILES:	C(Oc2ccc(C=1NCCCN=1)cc2)CCCCOc3ccc(cc3)C4=NCCCN4
InChi:	InChI=1S/C25H32N4O2/c1(2-18-30-22-10-6-20(7-11-22)24-26-14-4-15-27-24)3-19-31-23-12-8-21(9-13-23)25-28-16-5-17-29-25/h6-13H,1-5,14-19H2,(H,26,27)(H,28,29)
Definition date:	2015-09-07
Last modified:	2016-01-15
Release date:	2016-01-20
Identifier:	2,2'-[pentane-1,5-diylbis(oxybenzene-4,1-diyl)]di-1,4,5,6-tetrahydropyrimidine

BX4

BX4
Name:	3'-aminobiphenyl-4-sulfonamide
Formula:	C12 H12 N2 O2 S
SMILES:	S(=O)(N)(=O)c1ccc(cc1)c2cccc(c2)N
InChi:	InChI=1S/C12H12N2O2S/c13-11-3-1-2-10(8-11)9-4-6-12(7-5-9)17(14,15)16/h1-8H,13H2,(H2,14,15,16)
Definition date:	2015-10-01
Last modified:	2016-01-15
Release date:	2016-01-20
Identifier:	3'-aminobiphenyl-4-sulfonamide

EB7

EB7
Name:	2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
Formula:	C19 H14 Cl F N2 O3 S
SMILES:	Clc1cc(F)ccc1S(=O)(=O)Nc2c4c3c(cc2)N(C(c3ccc4)=O)CC
InChi:	InChI=1S/C19H14ClFN2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(21)10-14(17)20/h3-10,22H,2H2,1H3
Definition date:	2015-07-29
Last modified:	2016-01-08
Release date:	2016-01-13
Identifier:	2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide

EB9

EB9
Name:	N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
Formula:	C19 H16 N2 O3 S
SMILES:	CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4ccccc4
InChi:	InChI=1S/C19H16N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h3-12,20H,2H2,1H3
Definition date:	2015-07-29
Last modified:	2016-01-08
Release date:	2016-01-13
Identifier:	N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide

5XE

5XE
Name:	4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
Formula:	C17 H18 Br N3 O4 S
SMILES:	COc1cc2N(C)C(=O)N(C)c2cc1N[S](=O)(=O)c3ccc(Br)cc3C
InChi:	InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
Definition date:	2015-12-20
Last modified:	2016-01-08
Release date:	2016-01-13
Identifier:	4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide

E0C

E0C
Name:	5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
Formula:	C20 H17 Br N2 O4 S
SMILES:	CCN2C(=O)c1c3c(ccc1)c(ccc23)NS(=O)(=O)c4cc(Br)ccc4OC
InChi:	InChI=1S/C20H17BrN2O4S/c1-3-23-16-9-8-15(13-5-4-6-14(19(13)16)20(23)24)22-28(25,26)18-11-12(21)7-10-17(18)27-2/h4-11,22H,3H2,1-2H3
Definition date:	2015-09-29
Last modified:	2016-01-08
Release date:	2016-01-13
Identifier:	5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide

51Y

51Y
Name:	2-chloro-4-{[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile
Formula:	C14 H17 Cl N2 O
SMILES:	c1c(c(C)c(c(c1)C#N)Cl)NC2CCCC2(O)C
InChi:	InChI=1S/C14H17ClN2O/c1-9-11(6-5-10(8-16)13(9)15)17-12-4-3-7-14(12,2)18/h5-6,12,17-18H,3-4,7H2,1-2H3/t12-,14-/m1/s1
Definition date:	2015-07-14
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	2-chloro-4-{[(1R,2R)-2-hydroxy-2-methylcyclopentyl]amino}-3-methylbenzonitrile

5RA

5RA
Name:	5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile
Formula:	C27 H37 N5
SMILES:	CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(CN4CCCN(C)CC4)cc3C#N
InChi:	InChI=1S/C27H37N5/c1-29-11-3-13-31(17-15-29)21-23-5-8-25(9-6-23)27-10-7-24(19-26(27)20-28)22-32-14-4-12-30(2)16-18-32/h5-10,19H,3-4,11-18,21-22H2,1-2H3
Definition date:	2015-11-16
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile

5RD

5RD
Name:	4-(butylaminomethyl)benzenesulfonamide
Formula:	C11 H18 N2 O2 S
SMILES:	CCCCNCc1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C11H18N2O2S/c1-2-3-8-13-9-10-4-6-11(7-5-10)16(12,14)15/h4-7,13H,2-3,8-9H2,1H3,(H2,12,14,15)
Definition date:	2015-11-17
Last modified:	2015-12-31
Release date:	2016-01-05
Identifier:	4-(butylaminomethyl)benzenesulfonamide

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