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6RX

6RX
Name:	(5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione
Formula:	C18 H17 N3 O4
SMILES:	CCN1C(=O)NC(=O)C2=C1NC3=C([CH]2c4ccc(C)cc4)C(=O)OC3
InChi:	InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)/t12-/m1/s1
Definition date:	2016-06-09
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	(5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione

6YA

6YA
Name:	3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one
Formula:	C21 H20 Cl F3 N4 O3 S
SMILES:	C[S](=O)(=O)CCCn1c(CN2C(=O)N(CC(F)(F)F)c3ccncc23)cc4cc(Cl)ccc14
InChi:	InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3
Definition date:	2016-07-22
Last modified:	2017-07-28
Release date:	2017-08-02
Identifier:	3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one

MJM

MJM
Name:	(4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one
Formula:	C22 H21 N O2
SMILES:	CC1=C(C(=O)[CH]2CCCCC2=N1)c3ccc(Oc4ccccc4)cc3
InChi:	InChI=1S/C22H21NO2/c1-15-21(22(24)19-9-5-6-10-20(19)23-15)16-11-13-18(14-12-16)25-17-7-3-2-4-8-17/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3/t19-/m0/s1
Definition date:	2016-01-14
Last modified:	2017-07-24
Release date:	2017-06-14
Identifier:	2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydro-4~{a}~{H}-quinolin-4-one

7AL

7AL
Name:	Chlorolissoclimide
Formula:	C20 H30 Cl N O4
SMILES:	OC(CC2C1(C(C(C)(C)CC(C1)Cl)CC(O)C2=C)C)C3CC(NC3=O)=O
InChi:	InChI=1S/C20H30ClNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1
Definition date:	2016-09-23
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(3R)-3-{(1S)-2-[(1R,3S,4aS,7S,8aS)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]-1-hydroxyethyl}pyrrolidine-2,5-dione

7WL

7WL
Name:	3-{[2-Ethoxy-5-(trifluoromethyl)benzyl]sulfanyl}-N-(phenylsulfonyl)thiophene-2-carboxamide
Formula:	C21 H18 F3 N O4 S3
SMILES:	CCOc1ccc(cc1CSc2ccsc2C(=O)N[S](=O)(=O)c3ccccc3)C(F)(F)F
InChi:	InChI=1S/C21H18F3NO4S3/c1-2-29-17-9-8-15(21(22,23)24)12-14(17)13-31-18-10-11-30-19(18)20(26)25-32(27,28)16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,25,26)
Definition date:	2017-01-27
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	3-[[2-ethoxy-5-(trifluoromethyl)phenyl]methylsulfanyl]-~{N}-(phenylsulfonyl)thiophene-2-carboxamide

7WU

7WU
Name:	methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate
Formula:	C26 H34 O8
SMILES:	COC(=O)[C]1(C)OC(=O)[CH]2[C]3(C)[CH](O)C(=O)[CH]4C(C)(C)C(=O)CC[C]4(C)[CH]3C=C(C)[C]2(C)C1=O
InChi:	InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h11,13,16-18,29H,9-10H2,1-8H3/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1
Definition date:	2017-01-31
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	methyl (2~{S},4~{a}~{R},4~{b}~{S},5~{S},6~{a}~{S},10~{a}~{S},10~{b}~{S},12~{a}~{S})-2,4~{b},7,7,10~{a},12,12~{a}-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4~{a},5,6~{a},9,10,10~{b}-hexahydronaphtho[1,2-h]isochromene-2-carboxylate

7WX

7WX
Name:	methyl (5S,7S,8S,9S,10S,13R,14R,16S)-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
Formula:	C26 H34 O8
SMILES:	COC(=O)[C]12C(=O)[C](C)(O)C(=O)[C]1(C)C(=C[CH]3[C]4(C)CCC(=O)C(C)(C)[CH]4C(=O)[CH](O)[C]23C)C
InChi:	InChI=1S/C26H34O8/c1-12-11-13-22(4)10-9-14(27)21(2,3)16(22)15(28)17(29)24(13,6)26(20(32)34-8)19(31)25(7,33)18(30)23(12,26)5/h11,13,16-17,29,33H,9-10H2,1-8H3/t13-,16+,17+,22-,23-,24+,25-,26-/m0/s1
Definition date:	2017-01-31
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	methyl (5~{S},7~{S},8~{S},9~{S},10~{S},13~{R},14~{R},16~{S})-4,4,8,10,12,13,16-heptamethyl-7,16-bis(oxidanyl)-3,6,15,17-tetrakis(oxidanylidene)-2,5,7,9-tetrahydro-1~{H}-cyclopenta[a]phenanthrene-14-carboxylate

7X0

7X0
Name:	(1R,2S,4aS,4bS,8aS,10S,10aS)-2-[(2S)-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4b,8,8,10a-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4a,5,6,8a,10-hexahydrophenanthrene-1-carboxylic acid
Formula:	C26 H36 O9
SMILES:	COC(=O)[C](C)(O)C(=O)[C]1(C)[CH](C(O)=O)[C]2(C)[CH](O)C(=O)[CH]3C(C)(C)C(=O)CC[C]3(C)[CH]2C=C1C
InChi:	InChI=1S/C26H36O9/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17(19(30)31)24(12,5)20(32)26(7,34)21(33)35-8/h11,13,16-18,29,34H,9-10H2,1-8H3,(H,30,31)/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1
Definition date:	2017-02-01
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(1~{R},2~{S},4~{a}~{S},4~{b}~{S},8~{a}~{S},10~{S},10~{a}~{S})-2-[(2~{S})-3-methoxy-2-methyl-2-oxidanyl-3-oxidanylidene-propanoyl]-2,3,4~{b},8,8,10~{a}-hexamethyl-10-oxidanyl-7,9-bis(oxidanylidene)-1,4~{a},5,6,8~{a},10-hexahydrophenanthrene-1-carboxylic acid

7YS

7YS
Name:	(10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one
Formula:	C21 H22 Cl F N6 O3
SMILES:	n2cc3c1c(nn(CCO)c1CN(C)C(c4c(C(Oc(c2N)n3)C)c(c(cc4)F)Cl)=O)C
InChi:	InChI=1S/C21H22ClFN6O3/c1-10-16-14-8-25-19(24)20(26-14)32-11(2)17-12(4-5-13(23)18(17)22)21(31)28(3)9-15(16)29(27-10)6-7-30/h4-5,8,11,30H,6-7,9H2,1-3H3,(H2,24,25)/t11-/m1/s1
Definition date:	2016-12-13
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one

9Q8

9Q8
Name:	tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium
Formula:	C3 H3 O6 Ru
SMILES:	O[Ru](O)(O)(C#[O+])(C#[O+])C#[O+]
InChi:	InChI=1S/3CO.3H2O.Ru/c3*1-2
Definition date:	2017-06-26
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium

7L7

7L7
Name:	methyl (2~{Z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate
Formula:	C13 H9 F N2 O3 S
SMILES:	COC(=O)C(C#N)=C1SCC(=O)N1c2ccccc2F
InChi:	InChI=1S/C13H9FN2O3S/c1-19-13(18)8(6-15)12-16(11(17)7-20-12)10-5-3-2-4-9(10)14/h2-5H,7H2,1H3/b12-8-
Definition date:	2016-11-18
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	methyl (2~{Z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate

7LH

7LH
Name:	(1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid
Formula:	C16 H20 O9
SMILES:	O[CH]1C[C](O)(C[CH](OC(=O)CCc2ccc(O)c(O)c2)[CH]1O)C(O)=O
InChi:	InChI=1S/C16H20O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1,3,5,11-12,14,17-19,21,24H,2,4,6-7H2,(H,22,23)/t11-,12-,14+,16-/m1/s1
Definition date:	2016-11-24
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(1~{R},3~{R},4~{S},5~{R})-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid

C5N

C5N
Name:	~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
Formula:	C33 H40 N8 O2
SMILES:	CCc1cccc(CC)c1NC(=O)c2nn(C)c3c2CCc4cnc(Nc5ccc(cc5OC)N6CCN(C)CC6)nc34
InChi:	InChI=1S/C33H40N8O2/c1-6-21-9-8-10-22(7-2)28(21)36-32(42)30-25-13-11-23-20-34-33(37-29(23)31(25)40(4)38-30)35-26-14-12-24(19-27(26)43-5)41-17-15-39(3)16-18-41/h8-10,12,14,19-20H,6-7,11,13,15-18H2,1-5H3,(H,36,42)(H,34,35,37)
Definition date:	2016-12-22
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide

RU2

RU2
Name:	pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium
Formula:	C H10 O6 Ru
SMILES:	[OH2+][Ru]([OH2+])([OH2+])([OH2+])([OH2+])C#[O+]
InChi:	InChI=1S/CO.5H2O.Ru/c1-2
Definition date:	2017-06-27
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium

8PV

8PV
Name:	N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide
Formula:	C22 H20 N6 O
SMILES:	N(Cc1ccccc1)C(=O)c2cccc(c2)NCc4nc(c3ccncc3)nn4
InChi:	InChI=1S/C22H20N6O/c29-22(25-14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24-15-20-26-21(28-27-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H,25,29)(H,26,27,28)
Definition date:	2017-02-27
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide

8QN

8QN
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate
Formula:	C14 H21 N6 O9 P
SMILES:	C[CH](O)[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C14H21N6O9P/c1-5(21)7(15)14(24)29-30(25,26)27-2-6-9(22)10(23)13(28-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-7,9-10,13,21-23H,2,15H2,1H3,(H,25,26)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1
Definition date:	2017-02-27
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate

8VE

8VE
Name:	(3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid
Formula:	C8 H11 N3 O4
SMILES:	CN1N=C([CH]2[CH]1CN[CH]2C(O)=O)C(O)=O
InChi:	InChI=1S/C8H11N3O4/c1-11-3-2-9-5(7(12)13)4(3)6(10-11)8(14)15/h3-5,9H,2H2,1H3,(H,12,13)(H,14,15)/t3-,4-,5-/m0/s1
Definition date:	2017-03-10
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(3~{a}~{R},4~{S},6~{a}~{R})-1-methyl-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-c]pyrazole-3,4-dicarboxylic acid

8VN

8VN
Name:	(3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid
Formula:	C7 H8 N2 O5
SMILES:	OC(=O)[CH]1NC[CH]2ON=C([CH]12)C(O)=O
InChi:	InChI=1S/C7H8N2O5/c10-6(11)4-3-2(1-8-4)14-9-5(3)7(12)13/h2-4,8H,1H2,(H,10,11)(H,12,13)/t2-,3-,4-/m0/s1
Definition date:	2017-03-13
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid

8WA

8WA
Name:	N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N~1~-methylethane-1,2-diamine
Formula:	C18 H19 Cl3 N6
SMILES:	Clc1ccc2c(n1)nc(n2)N(C)CCNC3c4c(NCC3)c(cc(c4)Cl)Cl
InChi:	InChI=1S/C18H19Cl3N6/c1-27(18-24-14-2-3-15(21)25-17(14)26-18)7-6-22-13-4-5-23-16-11(13)8-10(19)9-12(16)20/h2-3,8-9,13,22-23H,4-7H2,1H3,(H,24,25,26)/t13-/m1/s1
Definition date:	2017-03-09
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N~1~-methylethane-1,2-diamine

8WQ

8WQ
Name:	(2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid
Formula:	C7 H9 N O6
SMILES:	O[CH]1CN[CH]([CH]1C(=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C7H9NO6/c9-2-1-8-4(6(11)12)3(2)5(10)7(13)14/h2-4,8-9H,1H2,(H,11,12)(H,13,14)/t2-,3-,4-/m0/s1
Definition date:	2017-03-17
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid

90A

90A
Name:	2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid
Formula:	C13 H25 N O7
SMILES:	C(NC(C)=O)COCCOCCOCCOCCC(O)=O
InChi:	InChI=1S/C13H25NO7/c1-12(15)14-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
Definition date:	2017-03-24
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid

90G

90G
Name:	N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide
Formula:	C11 H10 Cl N3 O S
SMILES:	O=C(CS)Nc1cc(nn1)c2ccc(cc2)Cl
InChi:	InChI=1S/C11H10ClN3OS/c12-8-3-1-7(2-4-8)9-5-10(15-14-9)13-11(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)
Definition date:	2017-03-24
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide

90J

90J
Name:	N-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
Formula:	C11 H10 F N3 O S
SMILES:	c2c(c1ccc(F)cc1)c(nn2)NC(=O)CS
InChi:	InChI=1S/C11H10FN3OS/c12-8-3-1-7(2-4-8)9-5-13-15-11(9)14-10(16)6-17/h1-5,17H,6H2,(H2,13,14,15,16)
Definition date:	2017-03-24
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	N-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide

90M

90M
Name:	N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide
Formula:	C12 H12 F N3 O S
SMILES:	n2c(c(c(c1ccc(cc1)F)n2)C)NC(=O)CS
InChi:	InChI=1S/C12H12FN3OS/c1-7-11(8-2-4-9(13)5-3-8)15-16-12(7)14-10(17)6-18/h2-5,18H,6H2,1H3,(H2,14,15,16,17)
Definition date:	2017-03-24
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide

AKS

AKS
Name:	N-(hex-5-yn-1-yl)hexanamide
Formula:	C12 H21 N O
SMILES:	C(CCCC(=O)NCCCCC#C)C
InChi:	InChI=1S/C12H21NO/c1-3-5-7-9-11-13-12(14)10-8-6-4-2/h1H,4-11H2,2H3,(H,13,14)
Definition date:	2017-07-19
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	N-(hex-5-yn-1-yl)hexanamide

<921 922 923 924 925 926 927928929 930 931 932 933 934 935 936 >

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