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30I

30I
Name:	3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide
Formula:	C17 H23 N9 O2
SMILES:	COc1ncc(cn1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N
InChi:	InChI=1S/C17H23N9O2/c1-28-17-21-8-10(9-22-17)11-14(26-6-4-2-3-5-7-26)24-13(18)12(23-11)15(27)25-16(19)20/h8-9H,2-7H2,1H3,(H2,18,24)(H4,19,20,25,27)
Definition date:	2018-02-16
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide

32I

32I
Name:	3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide
Formula:	C18 H25 N9 O3
SMILES:	COc1ncc(c(OC)n1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N
InChi:	InChI=1S/C18H25N9O3/c1-29-16-10(9-22-18(26-16)30-2)11-14(27-7-5-3-4-6-8-27)24-13(19)12(23-11)15(28)25-17(20)21/h9H,3-8H2,1-2H3,(H2,19,24)(H4,20,21,25,28)
Definition date:	2018-02-16
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide

9UL

9UL
Name:	(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole
Formula:	C13 H14 N2
SMILES:	CN1CCCC1=C2C=Nc3ccccc23
InChi:	InChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11+
Definition date:	2018-08-06
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole

A8O

A8O
Name:	4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile
Formula:	C20 H23 N3 O2
SMILES:	C(N1CCC(CC1)O)C(c2cc(C)n(c2C)c3ccc(C#N)cc3)=O
InChi:	InChI=1S/C20H23N3O2/c1-14-11-19(20(25)13-22-9-7-18(24)8-10-22)15(2)23(14)17-5-3-16(12-21)4-6-17/h3-6,11,18,24H,7-10,13H2,1-2H3
Definition date:	2018-10-19
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile

9BF

9BF
Name:	4-(1~{H}-indol-3-yl)butan-2-one
Formula:	C12 H13 N O
SMILES:	CC(=O)CCc1c[nH]c2ccccc12
InChi:	InChI=1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3
Definition date:	2018-03-08
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-(1~{H}-indol-3-yl)butan-2-one

50I

50I
Name:	3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide
Formula:	C20 H23 N7 O2
SMILES:	NC(=N)NC(=O)c1nc(c2oc3ccccc3c2)c(nc1N)N4CCCCCC4
InChi:	InChI=1S/C20H23N7O2/c21-17-16(19(28)26-20(22)23)24-15(14-11-12-7-3-4-8-13(12)29-14)18(25-17)27-9-5-1-2-6-10-27/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,21,25)(H4,22,23,26,28)
Definition date:	2018-02-15
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-~{N}-carbamimidoyl-pyrazine-2-carboxamide

94I

94I
Name:	3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide
Formula:	C16 H21 N9 O
SMILES:	NC(=N)NC(=O)c1nc(c2cncnc2)c(nc1N)N3CCCCCC3
InChi:	InChI=1S/C16H21N9O/c17-13-12(15(26)24-16(18)19)22-11(10-7-20-9-21-8-10)14(23-13)25-5-3-1-2-4-6-25/h7-9H,1-6H2,(H2,17,23)(H4,18,19,24,26)
Definition date:	2018-02-16
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide

CGM

CGM
Name:	(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside
Formula:	C31 H51 N O9
SMILES:	C1C(=O)OC(CC)C(C=C(C=CC(=O)C(C)CC(CC=O)C(C(C1O)C)OC2OC(C)C(C(C2O)N(C)C)O)C)C
InChi:	InChI=1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1
Definition date:	2017-09-22
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside

27I

27I
Name:	3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide
Formula:	C16 H23 N9 O
SMILES:	Cn1cc(cn1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N
InChi:	InChI=1S/C16H23N9O/c1-24-9-10(8-20-24)11-14(25-6-4-2-3-5-7-25)22-13(17)12(21-11)15(26)23-16(18)19/h8-9H,2-7H2,1H3,(H2,17,22)(H4,18,19,23,26)
Definition date:	2018-02-15
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide

28I

28I
Name:	3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide
Formula:	C16 H21 N7 O2
SMILES:	NC(=N)NC(=O)c1nc(c2cocc2)c(nc1N)N3CCCCCC3
InChi:	InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-5-8-25-9-10)14(21-13)23-6-3-1-2-4-7-23/h5,8-9H,1-4,6-7H2,(H2,17,21)(H4,18,19,22,24)
Definition date:	2018-02-15
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide

CVQ

CVQ
Name:	2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol
Formula:	C27 H24 F2 N6 O4
SMILES:	COc1cnccc1Nc2nc(ncc2OC)c3nn(Cc4c(F)cc(OCCO)cc4F)c5ccccc35
InChi:	InChI=1S/C27H24F2N6O4/c1-37-23-13-30-8-7-21(23)32-26-24(38-2)14-31-27(33-26)25-17-5-3-4-6-22(17)35(34-25)15-18-19(28)11-16(12-20(18)29)39-10-9-36/h3-8,11-14,36H,9-10,15H2,1-2H3,(H,30,31,32,33)
Definition date:	2017-12-08
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol

CVT

CVT
Name:	3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide
Formula:	C21 H20 N2 O4
SMILES:	COc1cc(cc(OC)c1OC)C(=O)NN=Cc2cccc3ccccc23
InChi:	InChI=1S/C21H20N2O4/c1-25-18-11-16(12-19(26-2)20(18)27-3)21(24)23-22-13-15-9-6-8-14-7-4-5-10-17(14)15/h4-13H,1-3H3,(H,23,24)/b22-13+
Definition date:	2017-12-08
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide

CVW

CVW
Name:	2-(5-methyl-1~{H}-indol-3-yl)ethanamine
Formula:	C11 H14 N2
SMILES:	Cc1ccc2[nH]cc(CCN)c2c1
InChi:	InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
Definition date:	2017-12-08
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-(5-methyl-1~{H}-indol-3-yl)ethanamine

09I

09I
Name:	3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide
Formula:	C20 H22 F N7 O2
SMILES:	NC(=N)NC(=O)c1nc(c2oc3cccc(F)c3c2)c(nc1N)N4CCCCCC4
InChi:	InChI=1S/C20H22FN7O2/c21-12-6-5-7-13-11(12)10-14(30-13)15-18(28-8-3-1-2-4-9-28)26-17(22)16(25-15)19(29)27-20(23)24/h5-7,10H,1-4,8-9H2,(H2,22,26)(H4,23,24,27,29)
Definition date:	2018-02-16
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide

DZB

DZB
Name:	N-(2,2-Diphenylethyl)-4-hydroxy-1,2,5-thiadiazole-3-carboxamide
Formula:	C17 H15 N3 O2 S
SMILES:	Oc1nsnc1C(=O)NCC(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C17H15N3O2S/c21-16(15-17(22)20-23-19-15)18-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,18,21)(H,20,22)
Definition date:	2018-02-06
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	~{N}-(2,2-diphenylethyl)-4-oxidanyl-1,2,5-thiadiazole-3-carboxamide

E2N

E2N
Name:	1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid
Formula:	C13 H11 F3 N2 O4
SMILES:	Cn1nc(O)c(C(O)=O)c1COc2cccc(c2)C(F)(F)F
InChi:	InChI=1S/C13H11F3N2O4/c1-18-9(10(12(20)21)11(19)17-18)6-22-8-4-2-3-7(5-8)13(14,15)16/h2-5H,6H2,1H3,(H,17,19)(H,20,21)
Definition date:	2018-02-14
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid

EAU

EAU
Name:	3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide
Formula:	C16 H21 N7 O2
SMILES:	NC(=N)NC(=O)c1nc(c2occc2)c(nc1N)N3CCCCCC3
InChi:	InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-6-5-9-25-10)14(21-13)23-7-3-1-2-4-8-23/h5-6,9H,1-4,7-8H2,(H2,17,21)(H4,18,19,22,24)
Definition date:	2018-02-15
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide

ELQ

ELQ
Name:	[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
Formula:	C12 H14 F2 N2 O
SMILES:	CN1CCN(CC1)C(=O)c2ccc(F)c(F)c2
InChi:	InChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3
Definition date:	2018-03-27
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone

F97

F97
Name:	N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
Formula:	C21 H26 F2 N8
SMILES:	c21cc(ncc1cnn2C(C)C)Nc4cc(nc(N3CCC(C3)(F)F)n4)C5CCNC5
InChi:	InChI=1S/C21H26F2N8/c1-13(2)31-17-8-18(25-10-15(17)11-26-31)28-19-7-16(14-3-5-24-9-14)27-20(29-19)30-6-4-21(22,23)12-30/h7-8,10-11,13-14,24H,3-6,9,12H2,1-2H3,(H,25,27,28,29)/t14-/m1/s1
Definition date:	2018-03-16
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine

FKE

FKE
Name:	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide
Formula:	C18 H20 N2 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3
InChi:	InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23)
Definition date:	2018-07-17
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide

FKK

FKK
Name:	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H20 F N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)Cc3ccc(F)cc3
InChi:	InChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25)
Definition date:	2018-07-17
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide

FKQ

FKQ
Name:	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide
Formula:	C18 H20 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(O)(CC2)c3ccccc3
InChi:	InChI=1S/C18H20N2O4S/c19-25(23,24)16-8-6-14(7-9-16)17(21)20-12-10-18(22,11-13-20)15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H2,19,23,24)
Definition date:	2018-07-18
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide

FWH

FWH
Name:	9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
Formula:	C25 H20 N2
SMILES:	Cn1c2ccccc2c3cc(ccc13)C(=C)c4cc(C)nc5ccccc45
InChi:	InChI=1S/C25H20N2/c1-16-14-21(19-8-4-6-10-23(19)26-16)17(2)18-12-13-25-22(15-18)20-9-5-7-11-24(20)27(25)3/h4-15H,2H2,1,3H3
Definition date:	2018-08-03
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole

G5J

G5J
Name:	5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
Formula:	C11 H18 N5 O14 P3
SMILES:	C3(=NC(c2c(n(C1OC(C(O)C1O)COP(O)(=O)OP(O)(=O)OP(=O)(O)OC)cn2)N3)=O)N
InChi:	InChI=1S/C11H18N5O14P3/c1-26-31(20,21)29-33(24,25)30-32(22,23)27-2-4-6(17)7(18)10(28-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
Definition date:	2018-05-07
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine

GOJ

GOJ
Name:	ethyl 1~{H}-pyrazole-4-carboxylate
Formula:	C6 H8 N2 O2
SMILES:	CCOC(=O)c1c[nH]nc1
InChi:	InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
Definition date:	2018-05-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	ethyl 1~{H}-pyrazole-4-carboxylate

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