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JEJ

JEJ
Name:	3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one
Formula:	C22 H20 Cl N3 O2
SMILES:	c1cccc(c1Cl)c2c4c(on2)C=C(c3ccc(cc3)CN(C)C)N(C)C4=O
InChi:	InChI=1S/C22H20ClN3O2/c1-25(2)13-14-8-10-15(11-9-14)18-12-19-20(22(27)26(18)3)21(24-28-19)16-6-4-5-7-17(16)23/h4-12H,13H2,1-3H3
Definition date:	2018-09-05
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one

B5K

B5K
Name:	3-[(1~{R})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{H}-indole-2-carboxylic acid
Formula:	C23 H21 Cl F3 N3 O4
SMILES:	CC(C)(C)NC(=O)[CH](N(Cc1cc(F)c(F)c(F)c1)C=O)c2c([nH]c3cc(Cl)ccc23)C(O)=O
InChi:	InChI=1S/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-6-14(25)18(27)15(26)7-11)17-13-5-4-12(24)8-16(13)28-19(17)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)/t20-/m1/s1
Definition date:	2017-09-15
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	3-[(1~{R})-2-(~{tert}-butylamino)-1-[methanoyl-[[3,4,5-tris(fluoranyl)phenyl]methyl]amino]-2-oxidanylidene-ethyl]-6-chloranyl-1~{H}-indole-2-carboxylic acid

9A6

9A6
Name:	7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine
Formula:	C25 H27 N7
SMILES:	CN1CCN(CC1)c3cc4nc([C@H]=Cc2ccccc2)nc(c4cc3)Nc5cc(nn5)C
InChi:	InChI=1S/C25H27N7/c1-18-16-24(30-29-18)28-25-21-10-9-20(32-14-12-31(2)13-15-32)17-22(21)26-23(27-25)11-8-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H2,26,27,28,29,30)/b11-8+
Definition date:	2018-02-13
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]quinazolin-4-amine

K6V

K6V
Name:	N-[(2S)-1-hydroxypropan-2-yl]butanamide
Formula:	C7 H15 N O2
SMILES:	C(C(C)NC(CCC)=O)O
InChi:	InChI=1S/C7H15NO2/c1-3-4-7(10)8-6(2)5-9/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1
Definition date:	2018-11-02
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	N-[(2S)-1-hydroxypropan-2-yl]butanamide

EUY

EUY
Name:	(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2H-1,2,3-triazol-2-yl)phenyl]pyridin-1(2H)-yl}butanamide
Formula:	C19 H21 N5 O5 S
SMILES:	C3(C=C(c1ccc(cc1)n2nccn2)C=CN3CCC(C)(S(C)(=O)=O)C(NO)=O)=O
InChi:	InChI=1S/C19H21N5O5S/c1-19(18(26)22-27,30(2,28)29)8-12-23-11-7-15(13-17(23)25)14-3-5-16(6-4-14)24-20-9-10-21-24/h3-7,9-11,13,27H,8,12H2,1-2H3,(H,22,26)/t19-/m1/s1
Definition date:	2018-02-02
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[4-(2H-1,2,3-triazol-2-yl)phenyl]pyridin-1(2H)-yl}butanamide

EZ7

EZ7
Name:	N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide
Formula:	C28 H27 N9 O3
SMILES:	c2c(cc1nc(oc1c2)c3ccnc(c3)C(N4CCN(CC4)C(c5ccccc5)c6nnn(n6)C)=O)NC(C)=O
InChi:	InChI=1S/C28H27N9O3/c1-18(38)30-21-8-9-24-22(17-21)31-27(40-24)20-10-11-29-23(16-20)28(39)37-14-12-36(13-15-37)25(19-6-4-3-5-7-19)26-32-34-35(2)33-26/h3-11,16-17,25H,12-15H2,1-2H3,(H,30,38)/t25-/m1/s1
Definition date:	2018-02-14
Last modified:	2019-02-08
Release date:	2019-02-13
Identifier:	N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide

FFS

FFS
Name:	N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
Formula:	C19 H15 Cl N4 O
SMILES:	n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl
InChi:	InChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)
Definition date:	2018-03-28
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine

FFV

FFV
Name:	N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
Formula:	C19 H18 Cl F N4
SMILES:	n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)cccc3)NC(C)C4CC4
InChi:	InChI=1S/C19H18ClFN4/c1-11(12-6-7-12)22-18-14-4-2-3-5-17(14)24-19(25-18)23-13-8-9-16(21)15(20)10-13/h2-5,8-12H,6-7H2,1H3,(H2,22,23,24,25)/t11-/m1/s1
Definition date:	2018-03-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine

FFY

FFY
Name:	N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
Formula:	C24 H25 Cl F N5
SMILES:	n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)c(ccc3)C4=CCNCC4)NC(C5CC5)C
InChi:	InChI=1S/C24H25ClFN5/c1-14(15-5-6-15)28-23-19-4-2-3-18(16-9-11-27-12-10-16)22(19)30-24(31-23)29-17-7-8-21(26)20(25)13-17/h2-4,7-9,13-15,27H,5-6,10-12H2,1H3,(H2,28,29,30,31)/t14-/m1/s1
Definition date:	2018-03-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine

FGD

FGD
Name:	N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid
Formula:	C21 H21 N5 O6
SMILES:	c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC(C(=O)O)CCC(=O)O)=O
InChi:	InChI=1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)/t16-/m1/s1
Definition date:	2018-03-29
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid

FGE

FGE
Name:	~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
Formula:	C14 H12 N4 O4 S2
SMILES:	CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O
InChi:	InChI=1S/C14H12N4O4S2/c1-6-12(23-14(17-6)18-7(2)19)8-3-9-5-16-13(20)11(9)10(4-8)24(15,21)22/h3-5H,1-2H3,(H2,15,21,22)(H,17,18,19)
Definition date:	2018-06-28
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide

KC1

KC1
Name:	Chlorophyll c1
Formula:	C35 H30 Mg N4 O5
SMILES:	N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)CC)C)C=C)C
InChi:	InChI=1S/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22
Definition date:	2018-10-17
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(2E)-3-[(21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium

KC2

KC2
Name:	Chlorophyll c2
Formula:	C35 H28 Mg N4 O5
SMILES:	N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)C=CC(=O)O)=O)[Mg]6)N=7)C=C)C)C=C)C
InChi:	InChI=1S/C35H30N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22
Definition date:	2018-10-17
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(2E)-3-[(21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa~2~N~23~,N~25~]prop-2-enoato(2-)magnesium

3BO

3BO
Name:	1H-indol-3-ylacetonitrile
Formula:	C10 H8 N2
SMILES:	N#CCc2c1ccccc1nc2
InChi:	InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
Definition date:	2014-07-18
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	1H-indol-3-ylacetonitrile

J2N

J2N
Name:	(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
Formula:	C13 H16 N4 O2
SMILES:	NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1
InChi:	InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m0/s1
Definition date:	2019-01-16
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide

J3B

J3B
Name:	(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
Formula:	C13 H16 N4 O2
SMILES:	NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1
InChi:	InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m1/s1
Definition date:	2019-01-17
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide

99L

99L
Name:	1-ethyl-6-[(3R)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
Formula:	C18 H20 N2 O4 S
SMILES:	CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4
InChi:	InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1
Definition date:	2018-02-07
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	1-ethyl-6-[(3~{R})-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one

99O

99O
Name:	1-ethyl-6-[(3S)-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one
Formula:	C18 H20 N2 O4 S
SMILES:	CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](O)C4
InChi:	InChI=1S/C18H20N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)22)25(23,24)19-10-4-5-12(21)11-19/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m0/s1
Definition date:	2018-02-07
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	1-ethyl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonyl-benzo[cd]indol-2-one

99R

99R
Name:	6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one
Formula:	C18 H21 N3 O3 S
SMILES:	CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH](N)C4
InChi:	InChI=1S/C18H21N3O3S/c1-2-21-15-8-9-16(13-6-3-7-14(17(13)15)18(21)22)25(23,24)20-10-4-5-12(19)11-20/h3,6-9,12H,2,4-5,10-11,19H2,1H3/t12-/m0/s1
Definition date:	2018-02-07
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	6-[(3~{S})-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one

99U

99U
Name:	1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one
Formula:	C17 H18 N2 O3 S
SMILES:	CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCCC4
InChi:	InChI=1S/C17H18N2O3S/c1-2-19-14-8-9-15(23(21,22)18-10-3-4-11-18)12-6-5-7-13(16(12)14)17(19)20/h5-9H,2-4,10-11H2,1H3
Definition date:	2018-02-07
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	1-ethyl-6-pyrrolidin-1-ylsulfonyl-benzo[cd]indol-2-one

99X

99X
Name:	1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one
Formula:	C18 H20 N2 O4 S
SMILES:	CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)N4CCC[CH]4CO
InChi:	InChI=1S/C18H20N2O4S/c1-2-19-15-8-9-16(13-6-3-7-14(17(13)15)18(19)22)25(23,24)20-10-4-5-12(20)11-21/h3,6-9,12,21H,2,4-5,10-11H2,1H3/t12-/m1/s1
Definition date:	2018-02-07
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	1-ethyl-6-[(2~{R})-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one

BOQ

BOQ
Name:	ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
Formula:	C12 H19 N O3
SMILES:	CCOC(=O)c1cc(oc1CN)C(C)(C)C
InChi:	InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3
Definition date:	2017-10-12
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate

BPW

BPW
Name:	3-(4-chlorophenyl)propan-1-amine
Formula:	C9 H12 Cl N
SMILES:	NCCCc1ccc(Cl)cc1
InChi:	InChI=1S/C9H12ClN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2,7,11H2
Definition date:	2017-10-12
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	3-(4-chlorophenyl)propan-1-amine

BQ2

BQ2
Name:	1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone
Formula:	C11 H13 N O2
SMILES:	OCC(=O)N1CCc2ccccc2C1
InChi:	InChI=1S/C11H13NO2/c13-8-11(14)12-6-5-9-3-1-2-4-10(9)7-12/h1-4,13H,5-8H2
Definition date:	2017-10-12
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone

BQ5

BQ5
Name:	(1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine
Formula:	C13 H15 N3
SMILES:	NCc1nn(c2ccccc2)c3CCCc13
InChi:	InChI=1S/C13H15N3/c14-9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2
Definition date:	2017-10-12
Last modified:	2019-02-01
Release date:	2019-02-06
Identifier:	(1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine

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