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JOE

JOE
Name:	2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid
Formula:	C12 H9 N3 O7
SMILES:	OC(=O)c1c(cccc1[N+]([O-])=O)C(=O)N[CH]2CC(=O)NC2=O
InChi:	InChI=1S/C12H9N3O7/c16-8-4-6(11(18)14-8)13-10(17)5-2-1-3-7(15(21)22)9(5)12(19)20/h1-3,6H,4H2,(H,13,17)(H,19,20)(H,14,16,18)/t6-/m0/s1
Definition date:	2019-03-13
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid

JOH

JOH
Name:	2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione
Formula:	C12 H7 N3 O6
SMILES:	[O-][N+](=O)c1cccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c12
InChi:	InChI=1S/C12H7N3O6/c16-8-4-7(10(17)13-8)14-11(18)5-2-1-3-6(15(20)21)9(5)12(14)19/h1-3,7H,4H2,(H,13,16,17)/t7-/m0/s1
Definition date:	2019-03-13
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione

JOK

JOK
Name:	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide
Formula:	C13 H14 N2 O3
SMILES:	O=C(CCc1ccccc1)N[CH]2CC(=O)NC2=O
InChi:	InChI=1S/C13H14N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-5,10H,6-8H2,(H,14,16)(H,15,17,18)/t10-/m0/s1
Definition date:	2019-03-14
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide

JON

JON
Name:	[(2~{S})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
Formula:	C10 H15 N3 O4
SMILES:	O=C1C[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1
InChi:	InChI=1S/C10H15N3O4/c14-8-4-7(9(15)13-8)12-10(16)17-5-6-2-1-3-11-6/h6-7,11H,1-5H2,(H,12,16)(H,13,14,15)/t6-,7-/m0/s1
Definition date:	2019-03-14
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	[(2~{S})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate

JOQ

JOQ
Name:	[4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
Formula:	C13 H15 N3 O4
SMILES:	NCc1ccc(COC(=O)N[CH]2CC(=O)NC2=O)cc1
InChi:	InChI=1S/C13H15N3O4/c14-6-8-1-3-9(4-2-8)7-20-13(19)15-10-5-11(17)16-12(10)18/h1-4,10H,5-7,14H2,(H,15,19)(H,16,17,18)/t10-/m0/s1
Definition date:	2019-03-14
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	[4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate

JOT

JOT
Name:	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide
Formula:	C12 H12 N2 O3
SMILES:	O=C1C[CH](NC(=O)Cc2ccccc2)C(=O)N1
InChi:	InChI=1S/C12H12N2O3/c15-10(6-8-4-2-1-3-5-8)13-9-7-11(16)14-12(9)17/h1-5,9H,6-7H2,(H,13,15)(H,14,16,17)/t9-/m0/s1
Definition date:	2019-03-14
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide

KKQ

KKQ
Name:	[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
Formula:	C25 H22 Br F N4 O
SMILES:	Fc1ccccc1C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(Br)cc5
InChi:	InChI=1S/C25H22BrFN4O/c26-19-10-8-18(9-11-19)24-22(31-12-4-3-7-23(31)28-24)17-29-13-15-30(16-14-29)25(32)20-5-1-2-6-21(20)27/h1-12H,13-17H2
Definition date:	2019-06-03
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

JOW

JOW
Name:	4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid
Formula:	C17 H19 N3 O7
SMILES:	OC(=O)CCC(=O)NCc1ccc(COC(=O)N[CH]2CC(=O)NC2=O)cc1
InChi:	InChI=1S/C17H19N3O7/c21-13(5-6-15(23)24)18-8-10-1-3-11(4-2-10)9-27-17(26)19-12-7-14(22)20-16(12)25/h1-4,12H,5-9H2,(H,18,21)(H,19,26)(H,23,24)(H,20,22,25)/t12-/m0/s1
Definition date:	2019-03-14
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid

KKZ

KKZ
Name:	[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
Formula:	C25 H21 Cl F3 N5 O2
SMILES:	FC(F)(F)Oc1cccc(n1)C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(Cl)cc5
InChi:	InChI=1S/C25H21ClF3N5O2/c26-18-9-7-17(8-10-18)23-20(34-11-2-1-5-21(34)31-23)16-32-12-14-33(15-13-32)24(35)19-4-3-6-22(30-19)36-25(27,28)29/h1-11H,12-16H2
Definition date:	2019-06-03
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone

LUY

LUY
Name:	~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
Formula:	C15 H15 N3
SMILES:	C(Cc1ccccc1)Nc2[nH]c3ccccc3n2
InChi:	InChI=1S/C15H15N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)
Definition date:	2019-03-15
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine

0RC

0RC
Name:	5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
Formula:	C11 H20 N4 O10 P2
SMILES:	O=P(O)(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)CCN
InChi:	InChI=1S/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1
Definition date:	2007-08-13
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine

J3G

J3G
Name:	2-hydroxypropane-1,3-diyl dibutanoate
Formula:	C11 H20 O5
SMILES:	CCCC(OCC(COC(=O)CCC)O)=O
InChi:	InChI=1S/C11H20O5/c1-3-5-10(13)15-7-9(12)8-16-11(14)6-4-2/h9,12H,3-8H2,1-2H3
Definition date:	2018-08-06
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-hydroxypropane-1,3-diyl dibutanoate

J3J

J3J
Name:	1,3-dihydroxypropan-2-yl butanoate
Formula:	C7 H14 O4
SMILES:	OCC(CO)OC(CCC)=O
InChi:	InChI=1S/C7H14O4/c1-2-3-7(10)11-6(4-8)5-9/h6,8-9H,2-5H2,1H3
Definition date:	2018-08-06
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	1,3-dihydroxypropan-2-yl butanoate

J6P

J6P
Name:	(5aS,12aS,13aS)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
Formula:	C21 H23 Cl2 N3 O
SMILES:	c1(c(cc3c(c1)nc2C(C4C6(Cc23)CN5C(C4)(CCC5)C(=O)N6)(C)C)Cl)Cl
InChi:	InChI=1S/C21H23Cl2N3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-13(22)14(23)7-15(11)24-17(12)19/h6-7,16,24H,3-5,8-10H2,1-2H3,(H,25,27)/t16-,20+,21-/m0/s1
Definition date:	2018-08-15
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(5aS,12aS,13aS)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one

A7O

A7O
Name:	(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone
Formula:	C30 H34 N2 O6
SMILES:	c1(ccnc(c1)C(N2CC(C2)c3cc(OC)c(cc3)OCc5ccc(C4CC4)cc5)=O)COCC(O)CO
InChi:	InChI=1S/C30H34N2O6/c1-36-29-13-24(8-9-28(29)38-18-20-2-4-22(5-3-20)23-6-7-23)25-14-32(15-25)30(35)27-12-21(10-11-31-27)17-37-19-26(34)16-33/h2-5,8-13,23,25-26,33-34H,6-7,14-19H2,1H3/t26-/m0/s1
Definition date:	2018-10-11
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(3-{4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl}azetidin-1-yl)(4-{[(2S)-2,3-dihydroxypropoxy]methyl}pyridin-2-yl)methanone

B9L

B9L
Name:	N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide
Formula:	C21 H25 N3 O2
SMILES:	N(C(C(=O)NC(Cc2c1c(cccc1)nc2)CO)Cc3ccccc3)C
InChi:	InChI=1S/C21H25N3O2/c1-22-20(11-15-7-3-2-4-8-15)21(26)24-17(14-25)12-16-13-23-19-10-6-5-9-18(16)19/h2-10,13,17,20,22-23,25H,11-12,14H2,1H3,(H,24,26)/t17-,20-/m0/s1
Definition date:	2019-01-29
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-Nalpha-methyl-L-phenylalaninamide

B9O

B9O
Name:	N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide
Formula:	C17 H24 N2 O2 S
SMILES:	N(C(C(=O)NC(Cc2c1ccccc1sc2)CO)C(C)C)C
InChi:	InChI=1S/C17H24N2O2S/c1-11(2)16(18-3)17(21)19-13(9-20)8-12-10-22-15-7-5-4-6-14(12)15/h4-7,10-11,13,16,18,20H,8-9H2,1-3H3,(H,19,21)/t13-,16-/m0/s1
Definition date:	2019-01-29
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide

B9R

B9R
Name:	N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide
Formula:	C17 H25 N3 O2
SMILES:	N(C)C(C(NC(Cc2c1c(cccc1)nc2)CO)=O)C(C)C
InChi:	InChI=1S/C17H25N3O2/c1-11(2)16(18-3)17(22)20-13(10-21)8-12-9-19-15-7-5-4-6-14(12)15/h4-7,9,11,13,16,18-19,21H,8,10H2,1-3H3,(H,20,22)/t13-,16-/m0/s1
Definition date:	2019-01-29
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-N~2~-methyl-L-valinamide

B9U

B9U
Name:	(2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide
Formula:	C16 H22 N2 O3
SMILES:	c1cccc2c1c(cn2)CC(NC(C(O)C(C)C)=O)CO
InChi:	InChI=1S/C16H22N2O3/c1-10(2)15(20)16(21)18-12(9-19)7-11-8-17-14-6-4-3-5-13(11)14/h3-6,8,10,12,15,17,19-20H,7,9H2,1-2H3,(H,18,21)/t12-,15-/m0/s1
Definition date:	2019-01-29
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	(2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylbutanamide

D0U

D0U
Name:	4-azanyl-2-sulfanyl-benzoic acid
Formula:	C7 H7 N O2 S
SMILES:	Nc1ccc(C(O)=O)c(S)c1
InChi:	InChI=1S/C7H7NO2S/c8-4-1-2-5(7(9)10)6(11)3-4/h1-3,11H,8H2,(H,9,10)
Definition date:	2019-05-31
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	4-azanyl-2-sulfanyl-benzoic acid

EW2

EW2
Name:	2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole
Formula:	C21 H16 Cl N5
SMILES:	Clc1[nH]c2ccccc2c1c3nn(cc3Cn4ccnc4)c5ccccc5
InChi:	InChI=1S/C21H16ClN5/c22-21-19(17-8-4-5-9-18(17)24-21)20-15(12-26-11-10-23-14-26)13-27(25-20)16-6-2-1-3-7-16/h1-11,13-14,24H,12H2
Definition date:	2018-04-27
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-chloranyl-3-[4-(imidazol-1-ylmethyl)-1-phenyl-pyrazol-3-yl]-1~{H}-indole

EW5

EW5
Name:	1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
Formula:	C21 H17 N5 O
SMILES:	O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4
InChi:	InChI=1S/C21H17N5O/c27-21(24-14-16-6-10-22-11-7-16)19-15-26(18-4-2-1-3-5-18)25-20(19)17-8-12-23-13-9-17/h1-13,15H,14H2,(H,24,27)
Definition date:	2018-04-27
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

G3W

G3W
Name:	2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine
Formula:	C21 H20 F N O
SMILES:	Fc1ccc(CCNCc2ccc(Oc3ccccc3)cc2)cc1
InChi:	InChI=1S/C21H20FNO/c22-19-10-6-17(7-11-19)14-15-23-16-18-8-12-21(13-9-18)24-20-4-2-1-3-5-20/h1-13,23H,14-16H2
Definition date:	2018-08-23
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine

GHT

GHT
Name:	Boldine
Formula:	C19 H19 N O4
SMILES:	COc1cc2c(cc1O)cc3N(C)CCc4cc(O)c(OC)c2c34
InChi:	InChI=1S/C19H19NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h6-9,21-22H,4-5H2,1-3H3
Definition date:	2018-09-17
Last modified:	2019-08-02
Release date:	2019-08-07
Identifier:	4,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,3,5,7,9(17),13,15-heptaene-5,15-diol

K5H

K5H
Name:	(2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid
Formula:	C6 H10 F3 N O4 S
SMILES:	N[CH](CSCC(O)(O)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C6H10F3NO4S/c7-6(8,9)5(13,14)2-15-1-3(10)4(11)12/h3,13-14H,1-2,10H2,(H,11,12)/t3-/m0/s1
Definition date:	2019-04-26
Last modified:	2019-07-26
Release date:	2019-07-31
Identifier:	(2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid

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