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82G

82G
Name:	(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Formula:	C24 H28 F N3
SMILES:	c1c2c(ccc1)n(cc2C5CN(C4CCc3cccc(c34)F)CC5N(C)C)C
InChi:	InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1
Definition date:	2016-12-15
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine

7AM

7AM
Name:	[[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid
Formula:	C22 H21 N4 O4 P S
SMILES:	Cc1ccc(cc1)c2sc3ncnc(N[CH](Cc4ccccc4)C(=O)N[P](O)(O)=O)c3c2
InChi:	InChI=1S/C22H21N4O4PS/c1-14-7-9-16(10-8-14)19-12-17-20(23-13-24-22(17)32-19)25-18(21(27)26-31(28,29)30)11-15-5-3-2-4-6-15/h2-10,12-13,18H,11H2,1H3,(H,23,24,25)(H3,26,27,28,29,30)/t18-/m0/s1
Definition date:	2016-07-25
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	[[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid

7KE

7KE
Name:	3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
Formula:	C11 H11 Cl N2 O2
SMILES:	OCCCc1onc(n1)c2ccc(Cl)cc2
InChi:	InChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2
Definition date:	2016-11-04
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol

6C1

6C1
Name:	{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid
Formula:	C13 H12 B Cl O3
SMILES:	c1(c(cccc1)OCc2cccc(Cl)c2)B(O)O
InChi:	InChI=1S/C13H12BClO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8,16-17H,9H2
Definition date:	2016-03-08
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid

6CZ

6CZ
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine
Formula:	C19 H27 N7 O8
SMILES:	n3c(c1c(n(cn1)C2OC(CN(CCC(C(=O)O)N)CC(C(=O)OCC)=O)C(C2O)O)nc3)N
InChi:	InChI=1S/C19H27N7O8/c1-2-33-19(32)10(27)5-25(4-3-9(20)18(30)31)6-11-13(28)14(29)17(34-11)26-8-24-12-15(21)22-7-23-16(12)26/h7-9,11,13-14,17,28-29H,2-6,20H2,1H3,(H,30,31)(H2,21,22,23)/t9-,11+,13+,14+,17+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine

6D0

6D0
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine
Formula:	C17 H24 Br N7 O6
SMILES:	O=C(O)C(CCN(CC(CBr)=O)CC3OC(n1cnc2c(N)ncnc12)C(C3O)O)N
InChi:	InChI=1S/C17H24BrN7O6/c18-3-8(26)4-24(2-1-9(19)17(29)30)5-10-12(27)13(28)16(31-10)25-7-23-11-14(20)21-6-22-15(11)25/h6-7,9-10,12-13,16,27-28H,1-5,19H2,(H,29,30)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine

6D1

6D1
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine
Formula:	C16 H24 Cl N7 O5
SMILES:	NC(C(=O)O)CCN(CCCl)CC1OC(C(O)C1O)n2cnc3c2ncnc3N
InChi:	InChI=1S/C16H24ClN7O5/c17-2-4-23(3-1-8(18)16(27)28)5-9-11(25)12(26)15(29-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,15,25-26H,1-5,18H2,(H,27,28)(H2,19,20,21)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine

6D2

6D2
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine
Formula:	C18 H30 N10 O5
SMILES:	C(CN(CCC(C(O)=O)N)CC1C(O)C(O)C(O1)n3c2c(c(ncn2)N)nc3)CNC(=N)N
InChi:	InChI=1S/C18H30N10O5/c19-9(17(31)32)2-5-27(4-1-3-23-18(21)22)6-10-12(29)13(30)16(33-10)28-8-26-11-14(20)24-7-25-15(11)28/h7-10,12-13,16,29-30H,1-6,19H2,(H,31,32)(H2,20,24,25)(H4,21,22,23)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine

6D3

6D3
Name:	(2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name)
Formula:	C22 H33 N11 O7
SMILES:	O=C(O)C(N)CCN(CC1OC(C(O)C1O)n2cnc3c2ncnc3N)CCCn4nnc(c4)CC(C(O)=O)N
InChi:	InChI=1S/C22H33N11O7/c23-12(21(36)37)2-5-31(3-1-4-32-7-11(29-30-32)6-13(24)22(38)39)8-14-16(34)17(35)20(40-14)33-10-28-15-18(25)26-9-27-19(15)33/h7,9-10,12-14,16-17,20,34-35H,1-6,8,23-24H2,(H,36,37)(H,38,39)(H2,25,26,27)/t12-,13-,14+,16+,17+,20+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name)

6D4

6D4
Name:	5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine
Formula:	C16 H28 N10 O5
SMILES:	C(CN(CCC(C(O)=O)N)CC3C(C(C(n2c1ncnc(c1nc2)N)O3)O)O)NNN
InChi:	InChI=1S/C16H28N10O5/c17-8(16(29)30)1-3-25(4-2-23-24-19)5-9-11(27)12(28)15(31-9)26-7-22-10-13(18)20-6-21-14(10)26/h6-9,11-12,15,23-24,27-28H,1-5,17,19H2,(H,29,30)(H2,18,20,21)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine

765

765
Name:	5'-{1-[(3S)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine
Formula:	C16 H24 N7 O5
SMILES:	C(CC(C(O)=O)N)[N+]4(CC1C(O)C(O)C(O1)n3c2ncnc(c2nc3)N)CC4
InChi:	InChI=1S/C16H23N7O5/c17-8(16(26)27)1-2-23(3-4-23)5-9-11(24)12(25)15(28-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,24-25H,1-5,17H2,(H2-,18,19,20,26,27)/p+1/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{1-[(3S)-3-amino-3-carboxypropyl]aziridin-1-ium-1-yl}-5'-deoxyadenosine

7N1

7N1
Name:	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile
Formula:	C23 H15 F2 N3 O4
SMILES:	c2(c1ccc(C#N)cc1cc(c2)F)Oc4ccc(cc4OCCN3C=CC(=O)NC3=O)F
InChi:	InChI=1S/C23H15F2N3O4/c24-16-2-4-19(21(11-16)31-8-7-28-6-5-22(29)27-23(28)30)32-20-12-17(25)10-15-9-14(13-26)1-3-18(15)20/h1-6,9-12H,7-8H2,(H,27,29,30)
Definition date:	2016-11-17
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile

7NG

7NG
Name:	5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
Formula:	C28 H29 F N4 O3
SMILES:	c24oc(c1ccc(cc1)F)c(C(=O)NC)c2cc(c3cccc(c3)C(=O)NC(C)(C)C)c(n4)NCC
InChi:	InChI=1S/C28H29FN4O3/c1-6-31-24-20(17-8-7-9-18(14-17)25(34)33-28(2,3)4)15-21-22(26(35)30-5)23(36-27(21)32-24)16-10-12-19(29)13-11-16/h7-15H,6H2,1-5H3,(H,30,35)(H,31,32)(H,33,34)
Definition date:	2016-11-21
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

7XG

7XG
Name:	2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
Formula:	C25 H30 F N5 O
SMILES:	c4cc(C)c(CN3CC(c1ccc(cc1)c2cnn(c2)CC(N)=O)C(C3)N(C)C)c(c4)F
InChi:	InChI=1S/C25H30FN5O/c1-17-5-4-6-23(26)21(17)13-30-14-22(24(15-30)29(2)3)19-9-7-18(8-10-19)20-11-28-31(12-20)16-25(27)32/h4-12,22,24H,13-16H2,1-3H3,(H2,27,32)/t22-,24+/m1/s1
Definition date:	2016-12-09
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide

8SD

8SD
Name:	5-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:	C8 H7 N O2
SMILES:	N1C(Cc2cc(ccc12)O)=O
InChi:	InChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1-3,10H,4H2,(H,9,11)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5-hydroxy-1,3-dihydro-2H-indol-2-one

8SG

8SG
Name:	N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide
Formula:	C9 H8 N2 O3
SMILES:	N(C(=O)c1ccco1)c2cc(C)no2
InChi:	InChI=1S/C9H8N2O3/c1-6-5-8(14-11-6)10-9(12)7-3-2-4-13-7/h2-5H,1H3,(H,10,12)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide

8SJ

8SJ
Name:	(4-nitrophenyl)methyl carbamimidothioate
Formula:	C8 H9 N3 O2 S
SMILES:	[N+]([O-])(=O)c1ccc(cc1)CSC(=[N@H])N
InChi:	InChI=1S/C8H9N3O2S/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13/h1-4H,5H2,(H3,9,10)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(4-nitrophenyl)methyl carbamimidothioate

8SM

8SM
Name:	2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine
Formula:	C13 H12 N4
SMILES:	n2(cc(c1ccccn1)c(n2)n3cccc3)C
InChi:	InChI=1S/C13H12N4/c1-16-10-11(12-6-2-3-7-14-12)13(15-16)17-8-4-5-9-17/h2-10H,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine

8SS

8SS
Name:	4-(4-bromophenyl)-1H-pyrazol-3-amine
Formula:	C9 H8 Br N3
SMILES:	n2cc(c1ccc(cc1)Br)c(N)n2
InChi:	InChI=1S/C9H8BrN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	4-(4-bromophenyl)-1H-pyrazol-3-amine

8SV

8SV
Name:	1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C10 H12 N4 O3
SMILES:	N(c2c(cc1N(C(=O)N(c1c2)C)C)[N+]([O-])=O)C
InChi:	InChI=1S/C10H12N4O3/c1-11-6-4-8-9(5-7(6)14(16)17)13(3)10(15)12(8)2/h4-5,11H,1-3H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one

8SY

8SY
Name:	6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one
Formula:	C10 H12 N2 O
SMILES:	N1(C(CCc2cc(ccc12)N)=O)C
InChi:	InChI=1S/C10H12N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5,11H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one

8T1

8T1
Name:	6-amino-1-methylquinolin-2(1H)-one
Formula:	C10 H10 N2 O
SMILES:	N1(C)C(=O)C=Cc2c1ccc(c2)N
InChi:	InChI=1S/C10H10N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,11H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-amino-1-methylquinolin-2(1H)-one

8T4

8T4
Name:	1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole
Formula:	C14 H13 N3
SMILES:	Cn3c(n1cccc1)c(c2ccccc2)cn3
InChi:	InChI=1S/C14H13N3/c1-16-14(17-9-5-6-10-17)13(11-15-16)12-7-3-2-4-8-12/h2-11H,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole

8T7

8T7
Name:	1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
Formula:	C11 H10 F3 N3
SMILES:	n2(C)nc(C(F)(F)F)c(c1ccccc1)c2N
InChi:	InChI=1S/C11H10F3N3/c1-17-10(15)8(7-5-3-2-4-6-7)9(16-17)11(12,13)14/h2-6H,15H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine

8TA

8TA
Name:	2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine
Formula:	C12 H10 N4
SMILES:	n1ccccc1c2cnnc2n3cccc3
InChi:	InChI=1S/C12H10N4/c1-2-6-13-11(5-1)10-9-14-15-12(10)16-7-3-4-8-16/h1-9H,(H,14,15)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine

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