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D4Y

D4Y
Name:	(3S)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C8 H6 F N O2
SMILES:	c12C(C(=O)Nc1ccc(c2)F)O
InChi:	InChI=1S/C8H6FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3,7,11H,(H,10,12)/t7-/m0/s1
Definition date:	2017-10-18
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	(3S)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one

E3N

E3N
Name:	1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea
Formula:	C21 H30 F3 N3 O5 S
SMILES:	CC(C)[S](=O)(=O)N1CCC2(CC1)C[CH](CCO2)NC(=O)NCc3ccc(OC(F)(F)F)cc3
InChi:	InChI=1S/C21H30F3N3O5S/c1-15(2)33(29,30)27-10-8-20(9-11-27)13-17(7-12-31-20)26-19(28)25-14-16-3-5-18(6-4-16)32-21(22,23)24/h3-6,15,17H,7-14H2,1-2H3,(H2,25,26,28)/t17-/m0/s1
Definition date:	2018-02-16
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea

EM9

EM9
Name:	N-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha,17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide
Formula:	C34 H54 Cl N O3
SMILES:	C(CCCCCCCCCC(N(CCCC)C)=O)C1C3C(c2c(C1)cc(cc2)O)CCC4(C(O)C(Cl)CC34)C
InChi:	InChI=1S/C34H54ClNO3/c1-4-5-20-36(3)31(38)15-13-11-9-7-6-8-10-12-14-24-21-25-22-26(37)16-17-27(25)28-18-19-34(2)29(32(24)28)23-30(35)33(34)39/h16-17,22,24,28-30,32-33,37,39H,4-15,18-21,23H2,1-3H3/t24-,28-,29+,30-,32-,33+,34+/m1/s1
Definition date:	2018-06-21
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	N-butyl-11-[(7alpha,9beta,13alpha,14beta,16alpha,17alpha)-16-chloro-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-N-methylundecanamide

EPW

EPW
Name:	Cystargolide B- bound form
Formula:	C17 H30 N2 O7
SMILES:	CC(C)[CH](NC(=O)[CH](NC(=O)[CH](O)[CH](C(C)C)C(O)=O)C(C)C)C(O)=O
InChi:	InChI=1S/C17H30N2O7/c1-7(2)10(16(23)24)13(20)15(22)18-11(8(3)4)14(21)19-12(9(5)6)17(25)26/h7-13,20H,1-6H3,(H,18,22)(H,19,21)(H,23,24)(H,25,26)/t10-,11-,12-,13+/m0/s1
Definition date:	2018-04-06
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	(2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid

EQE

EQE
Name:	(2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid
Formula:	C24 H36 N2 O7
SMILES:	CC(C)[CH](NC(=O)[CH](O)[CH](C(C)C)C(O)=O)C(=O)N[CH](C(C)C)C(=O)OCc1ccccc1
InChi:	InChI=1S/C24H36N2O7/c1-13(2)17(23(30)31)20(27)22(29)25-18(14(3)4)21(28)26-19(15(5)6)24(32)33-12-16-10-8-7-9-11-16/h7-11,13-15,17-20,27H,12H2,1-6H3,(H,25,29)(H,26,28)(H,30,31)/t17-,18-,19-,20+/m0/s1
Definition date:	2018-04-09
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	(2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid

EZE

EZE
Name:	trans-oxyresveratrol
Formula:	C14 H12 O4
SMILES:	Oc1ccc(C=Cc2cc(O)cc(O)c2)c(O)c1
InChi:	InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
Definition date:	2018-05-10
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	4-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]ethenyl]benzene-1,3-diol

EZH

EZH
Name:	cis-oxyresveratrol
Formula:	C14 H12 O4
SMILES:	Oc1ccc(C=Cc2cc(O)cc(O)c2)c(O)c1
InChi:	InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1-
Definition date:	2018-05-10
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	4-[(~{Z})-2-[3,5-bis(oxidanyl)phenyl]ethenyl]benzene-1,3-diol

FK8

FK8
Name:	(phenylmethyl) carbamate
Formula:	C8 H9 N O2
SMILES:	NC(=O)OCc1ccccc1
InChi:	InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
Definition date:	2018-07-16
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(phenylmethyl) carbamate

FUS

FUS
Name:	sulfuric diamide
Formula:	H4 N2 O2 S
SMILES:	NS(=O)(=O)N
InChi:	InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
Definition date:	2018-04-18
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	sulfuric diamide

FV9

FV9
Name:	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
Formula:	C20 H17 F N4 O7 P2 S
SMILES:	OP(O)(=O)C(P(O)(O)=O)Nc2c1c(scc1)nc(n2)c3cc(ccc3)NC(c4ccc(F)cc4)=O
InChi:	InChI=1S/C20H17FN4O7P2S/c21-13-6-4-11(5-7-13)18(26)22-14-3-1-2-12(10-14)16-23-17(15-8-9-35-19(15)24-16)25-20(33(27,28)29)34(30,31)32/h1-10,20H,(H,22,26)(H,23,24,25)(H2,27,28,29)(H2,30,31,32)
Definition date:	2018-01-16
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)

FZM

FZM
Name:	2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Formula:	C12 H12 N2
SMILES:	c1cccc(c1)c2nc3n(c2)CCC3
InChi:	InChI=1S/C12H12N2/c1-2-5-10(6-3-1)11-9-14-8-4-7-12(14)13-11/h1-3,5-6,9H,4,7-8H2
Definition date:	2018-05-01
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

G1Y

G1Y
Name:	N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide
Formula:	C20 H19 N3 O
SMILES:	O=C(NCc1cccc(c1)c3cn2c(CCC2)n3)c4ccccc4
InChi:	InChI=1S/C20H19N3O/c24-20(16-7-2-1-3-8-16)21-13-15-6-4-9-17(12-15)18-14-23-11-5-10-19(23)22-18/h1-4,6-9,12,14H,5,10-11,13H2,(H,21,24)
Definition date:	2018-05-02
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide

G2J

G2J
Name:	N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide
Formula:	C25 H27 N3 O2
SMILES:	O=C(N(CC1CC1)Cc4cccc(c3cn2CCCc2n3)c4)c5cccc(c5)OC
InChi:	InChI=1S/C25H27N3O2/c1-30-22-8-3-7-21(14-22)25(29)28(15-18-10-11-18)16-19-5-2-6-20(13-19)23-17-27-12-4-9-24(27)26-23/h2-3,5-8,13-14,17-18H,4,9-12,15-16H2,1H3
Definition date:	2018-05-02
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide

GA7

GA7
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name)
Formula:	C20 H32 N5 O13 P
SMILES:	O=P(O)(OC(CC1C(C(O)C(O)C(C(O)CO)O1)O)C)OCC2C(O)C(O)C(O2)n3cnc4c3ncnc4N
InChi:	InChI=1S/C20H32N5O13P/c1-7(2-9-12(28)14(30)15(31)17(36-9)8(27)3-26)38-39(33,34)35-4-10-13(29)16(32)20(37-10)25-6-24-11-18(21)22-5-23-19(11)25/h5-10,12-17,20,26-32H,2-4H2,1H3,(H,33,34)(H2,21,22,23)/t7-,8+,9+,10-,12-,13-,14-,15+,16-,17-,20-/m1/s1
Definition date:	2018-05-17
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R)-1-{(2S,3S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}propan-2-yl hydrogen (R)-phosphate (non-preferred name)

GJA

GJA
Name:	6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
Formula:	C25 H24 N4 O4
SMILES:	c1(nc(ccc1C(N)=O)N2CC(NC([C@H]=C)=O)CC2)Oc4ccc(Oc3ccccc3)cc4
InChi:	InChI=1S/C25H24N4O4/c1-2-23(30)27-17-14-15-29(16-17)22-13-12-21(24(26)31)25(28-22)33-20-10-8-19(9-11-20)32-18-6-4-3-5-7-18/h2-13,17H,1,14-16H2,(H2,26,31)(H,27,30)/t17-/m0/s1
Definition date:	2018-05-23
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide

GXD

GXD
Name:	4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid
Formula:	C10 H6 Cl2 O4
SMILES:	c1(cccc(Cl)c1C(CC(C(O)=O)=O)=O)Cl
InChi:	InChI=1S/C10H6Cl2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)
Definition date:	2018-06-01
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid

GXG

GXG
Name:	4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid
Formula:	C10 H6 F2 O4
SMILES:	c1(cccc(c1C(CC(C(O)=O)=O)=O)F)F
InChi:	InChI=1S/C10H6F2O4/c11-5-2-1-3-6(12)9(5)7(13)4-8(14)10(15)16/h1-3H,4H2,(H,15,16)
Definition date:	2018-06-01
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid

GXM

GXM
Name:	(2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid
Formula:	C10 H7 N O6
SMILES:	c1(ccccc1C([C@H]=C(C(O)=O)O)=O)[N+]([O-])=O
InChi:	InChI=1S/C10H7NO6/c12-8(5-9(13)10(14)15)6-3-1-2-4-7(6)11(16)17/h1-5,13H,(H,14,15)/b9-5-
Definition date:	2018-06-04
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid

GZ4

GZ4
Name:	7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium
Formula:	C21 H21 N4 O2
SMILES:	c13C(NC(=O)Nc1[n+](c2cc(C)c(cc2n3)C)CCCc4ccccc4)=O
InChi:	InChI=1S/C21H20N4O2/c1-13-11-16-17(12-14(13)2)25(10-6-9-15-7-4-3-5-8-15)19-18(22-16)20(26)24-21(27)23-19/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,24,26,27)/p+1
Definition date:	2018-06-06
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium

GZ7

GZ7
Name:	10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium
Formula:	C23 H30 N5 O4
SMILES:	c1(c2c(nc(n1)O)[n+](CCCCCCC(=O)O)c3cc(c(cc3n2)C)NC4CCCC4)O
InChi:	InChI=1S/C23H29N5O4/c1-14-12-17-18(13-16(14)24-15-8-5-6-9-15)28(11-7-3-2-4-10-19(29)30)21-20(25-17)22(31)27-23(32)26-21/h12-13,15H,2-11H2,1H3,(H3,24,26,27,29,30,31,32)/p+1
Definition date:	2018-06-06
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium

GZG

GZG
Name:	4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid
Formula:	C25 H27 N5 O4
SMILES:	C(N(Cc1ccccc1)CCCC(=O)O)CN3c4c(N=C2C(NC(=O)N=C23)=O)cc(c(c4)C)C
InChi:	InChI=1S/C25H27N5O4/c1-16-13-19-20(14-17(16)2)30(23-22(26-19)24(33)28-25(34)27-23)12-11-29(10-6-9-21(31)32)15-18-7-4-3-5-8-18/h3-5,7-8,13-14H,6,9-12,15H2,1-2H3,(H,31,32)(H,28,33,34)
Definition date:	2018-06-06
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid

HRA

HRA
Name:	1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol
Formula:	C25 H23 Cl N4 O4
SMILES:	C1CC(CO)OCC1Nc5c4c(C(c3ccc(Oc2ccccc2)cc3Cl)=O)cnc4ncn5
InChi:	InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1
Definition date:	2018-07-18
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol

54B

54B
Name:	1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea
Formula:	C26 H26 F3 N9 O3 S
SMILES:	CCNC(=O)Nc1cc(c2scc(n2)C(F)(F)F)c(cn1)c3cc(cnc3N4[CH]5CC[CH]4CN(C)C5)C6=NNC(=O)O6
InChi:	InChI=1S/C26H26F3N9O3S/c1-3-30-24(39)34-20-7-17(23-33-19(12-42-23)26(27,28)29)18(9-31-20)16-6-13(22-35-36-25(40)41-22)8-32-21(16)38-14-4-5-15(38)11-37(2)10-14/h6-9,12,14-15H,3-5,10-11H2,1-2H3,(H,36,40)(H2,30,31,34,39)/t14-,15+
Definition date:	2015-07-23
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea

9UO

9UO
Name:	6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
Formula:	C14 H13 Cl F6 N6
SMILES:	c1(nc(NC(C)C(F)(F)F)nc(n1)NC(C)C(F)(F)F)c2nc(Cl)ccc2
InChi:	InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m1/s1
Definition date:	2018-08-06
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	6-(6-chloropyridin-2-yl)-N~2~,N~4~-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

J9D

J9D
Name:	4-({4-amino-6-[4-(2-hydroxyethyl)-1H-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
Formula:	C16 H15 N7 O
SMILES:	c3(nc(Nc1ccc(cc1)C#N)nc(n2cnc(CCO)c2)c3)N
InChi:	InChI=1S/C16H15N7O/c17-8-11-1-3-12(4-2-11)20-16-21-14(18)7-15(22-16)23-9-13(5-6-24)19-10-23/h1-4,7,9-10,24H,5-6H2,(H3,18,20,21,22)
Definition date:	2018-08-24
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	4-({4-amino-6-[4-(2-hydroxyethyl)-1H-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile

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