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J8N

J8N
Name:	4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
Formula:	C16 H17 Cl N2 O4 S2
SMILES:	N[S](=O)(=O)c1cc(C(=O)NCCCO)c(Sc2ccccc2)cc1Cl
InChi:	InChI=1S/C16H17ClN2O4S2/c17-13-10-14(24-11-5-2-1-3-6-11)12(9-15(13)25(18,22)23)16(21)19-7-4-8-20/h1-3,5-6,9-10,20H,4,7-8H2,(H,19,21)(H2,18,22,23)
Definition date:	2019-02-11
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide

J9W

J9W
Name:	1,3-benzoxazine-2,4-dione
Formula:	C8 H5 N O3
SMILES:	O=C1NC(=O)c2ccccc2O1
InChi:	InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1,3-benzoxazine-2,4-dione

JA5

JA5
Name:	methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate
Formula:	C9 H9 N O3 S
SMILES:	COC(=O)c1[nH]c2sc(CO)cc2c1
InChi:	InChI=1S/C9H9NO3S/c1-13-9(12)7-3-5-2-6(4-11)14-8(5)10-7/h2-3,10-11H,4H2,1H3
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate

JA8

JA8
Name:	5-bromanyl-1,3-benzothiazol-2-amine
Formula:	C7 H5 Br N2 S
SMILES:	Nc1sc2ccc(Br)cc2n1
InChi:	InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	5-bromanyl-1,3-benzothiazol-2-amine

JAB

JAB
Name:	1,2-oxazole-5-carbothioamide
Formula:	C4 H4 N2 O S
SMILES:	NC(=S)c1oncc1
InChi:	InChI=1S/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1,2-oxazole-5-carbothioamide

JAE

JAE
Name:	1,3-benzothiazol-6-amine
Formula:	C7 H6 N2 S
SMILES:	Nc1ccc2ncsc2c1
InChi:	InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1,3-benzothiazol-6-amine

JAH

JAH
Name:	(6-phenylpyridin-3-yl)methanamine
Formula:	C12 H12 N2
SMILES:	NCc1ccc(nc1)c2ccccc2
InChi:	InChI=1S/C12H12N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8,13H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(6-phenylpyridin-3-yl)methanamine

JB5

JB5
Name:	quinoxalin-6-amine
Formula:	C8 H7 N3
SMILES:	Nc1ccc2nccnc2c1
InChi:	InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	quinoxalin-6-amine

JB8

JB8
Name:	1~{H}-indol-6-ylboronic acid
Formula:	C8 H8 B N O2
SMILES:	OB(O)c1ccc2cc[nH]c2c1
InChi:	InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1~{H}-indol-6-ylboronic acid

JBE

JBE
Name:	3-nitropyridin-2-amine
Formula:	C5 H5 N3 O2
SMILES:	Nc1ncccc1[N+]([O-])=O
InChi:	InChI=1S/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,7)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	3-nitropyridin-2-amine

JBH

JBH
Name:	3,4-dihydroquinazolin-4-ol
Formula:	C8 H8 N2 O
SMILES:	O[CH]1NC=Nc2ccccc12
InChi:	InChI=1S/C8H8N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5,8,11H,(H,9,10)/t8-/m1/s1
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	3,4-dihydroquinazolin-4-ol

JBK

JBK
Name:	2-azanyl-3-nitro-phenol
Formula:	C6 H6 N2 O3
SMILES:	Nc1c(O)cccc1[N+]([O-])=O
InChi:	InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	2-azanyl-3-nitro-phenol

JBQ

JBQ
Name:	5-fluoranyl-3,4-dihydroquinazolin-4-ol
Formula:	C8 H7 F N2 O
SMILES:	O[CH]1NC=Nc2cccc(F)c12
InChi:	InChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4,8,12H,(H,10,11)/t8-/m0/s1
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	5-fluoranyl-3,4-dihydroquinazolin-4-ol

JBZ

JBZ
Name:	6-methoxy-1,3-benzothiazole-2-carboxylic acid
Formula:	C9 H7 N O3 S
SMILES:	COc1ccc2nc(sc2c1)C(O)=O
InChi:	InChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	6-methoxy-1,3-benzothiazole-2-carboxylic acid

BKR

BKR
Name:	Deacetyltaxol
Formula:	C45 H49 N O13
SMILES:	O=C(NC(C(O)C(OC3C(C)=C4C(C(C2(C(O)CC1OCC1(OC(=O)C)C2C(C(C3)(C4(C)C)O)OC(c5ccccc5)=O)C)=O)O)=O)c6ccccc6)c7ccccc7
InChi:	InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
Definition date:	2019-02-14
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(benzenecarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

BOF

BOF
Name:	(3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C23 H25 N5 O
SMILES:	CN5c3c(cc(c1nnc(n1c2ccc(cc2)C)C)cc3)N(C4CC4)C(C)C5=O
InChi:	InChI=1S/C23H25N5O/c1-14-5-8-19(9-6-14)28-16(3)24-25-22(28)17-7-12-20-21(13-17)27(18-10-11-18)15(2)23(29)26(20)4/h5-9,12-13,15,18H,10-11H2,1-4H3/t15-/m1/s1
Definition date:	2019-02-26
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one

BQ0

BQ0
Name:	(3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one
Formula:	C31 H39 N7 O2
SMILES:	CC6N(C1CCCC1)c5cc(c3nc(C(=O)N2CCN(CC2)C)nn3c4c(C)cc(cc4)C)ccc5N(C6=O)C
InChi:	InChI=1S/C31H39N7O2/c1-20-10-12-25(21(2)18-20)38-29(32-28(33-38)31(40)36-16-14-34(4)15-17-36)23-11-13-26-27(19-23)37(24-8-6-7-9-24)22(3)30(39)35(26)5/h10-13,18-19,22,24H,6-9,14-17H2,1-5H3/t22-/m1/s1
Definition date:	2019-02-26
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one

BW6

BW6
Name:	(3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one
Formula:	C17 H19 N3 O
SMILES:	C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)c4[nH]ccc4
InChi:	InChI=1S/C17H19N3O/c1-11-17(21)19(2)15-8-5-12(14-4-3-9-18-14)10-16(15)20(11)13-6-7-13/h3-5,8-11,13,18H,6-7H2,1-2H3/t11-/m1/s1
Definition date:	2019-03-14
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one

C6X

C6X
Name:	3-((1-methyl-2-oxo-1,2,2a1,5a-tetrahydro-6H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-6-yl)methyl)benzamide
Formula:	C23 H18 N4 O2
SMILES:	CN1C(=O)c2cccc3N(Cc4cccc(c4)C(N)=O)c5ncccc5C=C1c23
InChi:	InChI=1S/C23H18N4O2/c1-26-19-12-16-7-4-10-25-22(16)27(13-14-5-2-6-15(11-14)21(24)28)18-9-3-8-17(20(18)19)23(26)29/h2-12H,13H2,1H3,(H2,24,28)
Definition date:	2019-04-12
Last modified:	2020-02-21
Release date:	2020-02-26

C89

C89
Name:	1-methyl-6-(3-(4-methylpiperazine-1-carbonyl)benzyl)-1,2a1,5a,6-tetrahydro-2H-pyrido[3',2':6,7]azepino[4,3,2-cd]isoindol-2-one
Formula:	C28 H27 N5 O2
SMILES:	CN1CCN(CC1)C(=O)c2cccc(CN3c4cccc5C(=O)N(C)C(=Cc6cccnc36)c45)c2
InChi:	InChI=1S/C28H27N5O2/c1-30-12-14-32(15-13-30)27(34)21-7-3-6-19(16-21)18-33-23-10-4-9-22-25(23)24(31(2)28(22)35)17-20-8-5-11-29-26(20)33/h3-11,16-17H,12-15,18H2,1-2H3
Definition date:	2019-04-12
Last modified:	2020-02-21
Release date:	2020-02-26

CWL

CWL
Name:	(3R)-3-[(1R)-1-azanylethyl]nonanedioic acid
Formula:	C11 H21 N O4
SMILES:	C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O
InChi:	InChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m1/s1
Definition date:	2019-05-24
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(3~{R})-3-[(1~{R})-1-azanylethyl]nonanedioic acid

E3U

E3U
Name:	(6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one
Formula:	C16 H12 O6
SMILES:	Oc1ccc2c(OC[C]3(O)CC4=CC(=O)C(=CC4=C23)O)c1O
InChi:	InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2/t16-/m0/s1
Definition date:	2019-10-04
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(6~{a}~{R})-3,4,6~{a},10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one

EN6

EN6
Name:	N-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
Formula:	C24 H22 F3 N3 O3 S
SMILES:	Cc1nn(c(CO)c1C(=O)NCCO)c2cccc3cc(Cc4cccc(c4)C(F)(F)F)sc23
InChi:	InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)20(13-32)30(29-14)19-7-3-5-16-12-18(34-22(16)19)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)
Definition date:	2020-01-16
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	~{N}-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide

NUQ

NUQ
Name:	5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one
Formula:	C15 H12 F N3 O
SMILES:	CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3
InChi:	InChI=1S/C15H12FN3O/c1-19-8-11(4-7-13(19)20)15-14(17-9-18-15)10-2-5-12(16)6-3-10/h2-9H,1H3,(H,17,18)
Definition date:	2019-12-16
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one

NYW

NYW
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Formula:	C11 H18 N6 O9 P2
SMILES:	Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c2n1
InChi:	InChI=1S/C11H18N6O9P2/c12-8-5-9(16-11(13)15-8)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,20,21,22)(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1
Definition date:	2020-01-13
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

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