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B2U

B2U
Name:	N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine
Formula:	C20 H18 Cl N O6
SMILES:	c1ccccc1CC(C(O)=O)NC(=O)c3cc(Cl)c2CC(C)OC(c2c3O)=O
InChi:	InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m1/s1
Definition date:	2019-01-09
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine

B8X

B8X
Name:	2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
Formula:	C25 H27 N O3 S
SMILES:	CCCc1ccc(cc1[CH]2C[CH]2c3ccccn3)c4ccc(cc4)[S](=O)(=O)CCO
InChi:	InChI=1S/C25H27NO3S/c1-2-5-19-7-8-20(18-9-11-21(12-10-18)30(28,29)15-14-27)16-22(19)23-17-24(23)25-6-3-4-13-26-25/h3-4,6-13,16,23-24,27H,2,5,14-15,17H2,1H3/t23-,24-/m1/s1
Definition date:	2019-01-24
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol

MQ0

MQ0
Name:	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile
Formula:	C24 H20 N4
SMILES:	N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27)
Definition date:	1999-07-28
Last modified:	2019-02-18
Identifier:	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile

XD4

XD4
Name:	[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate
Formula:	C18 H25 N O2
SMILES:	Cc1cc(ccc1N)C(=O)O[CH]2C[CH]3CC[C]2(C)C3(C)C
InChi:	InChI=1S/C18H25NO2/c1-11-9-12(5-6-14(11)19)16(20)21-15-10-13-7-8-18(15,4)17(13,2)3/h5-6,9,13,15H,7-8,10,19H2,1-4H3/t13-,15-,18+/m1/s1
Definition date:	2017-08-10
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[(1~{R},2~{R},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate

XD5

XD5
Name:	[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
Formula:	C14 H17 N O2
SMILES:	Nc1ccc(cc1)C(=O)O[CH]2C[CH]3CC[CH]2C3
InChi:	InChI=1S/C14H17NO2/c15-12-5-3-10(4-6-12)14(16)17-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8,15H2/t9-,11+,13-/m0/s1
Definition date:	2017-08-10
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate

G5B

G5B
Name:	(3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
Formula:	C20 H29 Cl2 N O3
SMILES:	CC1(C)[CH](Cl)[CH](Cl)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)CC[CH]12
InChi:	InChI=1S/C20H29Cl2NO3/c1-10-5-6-15-19(2,3)17(22)13(21)9-20(15,4)12(10)8-14(24)11-7-16(25)23-18(11)26/h11-15,17,24H,1,5-9H2,2-4H3,(H,23,25,26)/t11-,12+,13+,14+,15+,17-,20-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione

G5W

G5W
Name:	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
Formula:	C15 H17 N3 O3 S
SMILES:	COc1cccc(c1)c2sc(NC(=O)[CH](C)N)nc2C(C)=O
InChi:	InChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

G5Z

G5Z
Name:	(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
Formula:	C13 H14 N4 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cccnc2)c(n1)C(C)=O
InChi:	InChI=1S/C13H14N4O2S/c1-7(14)12(19)17-13-16-10(8(2)18)11(20-13)9-4-3-5-15-6-9/h3-7H,14H2,1-2H3,(H,16,17,19)/t7-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

G6B

G6B
Name:	(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide
Formula:	C14 H16 N4 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cccc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C14H16N4O2S/c1-7(15)13(20)18-14-17-11(8(2)19)12(21-14)9-4-3-5-10(16)6-9/h3-7H,15-16H2,1-2H3,(H,17,18,20)/t7-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide

G6E

G6E
Name:	(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide
Formula:	C13 H15 N5 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C13H15N5O2S/c1-6(14)12(20)18-13-17-10(7(2)19)11(21-13)8-3-9(15)5-16-4-8/h3-6H,14-15H2,1-2H3,(H,17,18,20)/t6-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide

G7B

G7B
Name:	2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
Formula:	C9 H13 N3 O2 S
SMILES:	CC(=O)c1csc(NC(=O)C(C)(C)N)n1
InChi:	InChI=1S/C9H13N3O2S/c1-5(13)6-4-15-8(11-6)12-7(14)9(2,3)10/h4H,10H2,1-3H3,(H,11,12,14)
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide

G7E

G7E
Name:	~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
Formula:	C21 H25 N5 O4 S
SMILES:	CC(=O)c1nc(NC(=O)C2CNCCN2)sc1c3ccc(cc3)C(=O)N4CCOCC4
InChi:	InChI=1S/C21H25N5O4S/c1-13(27)17-18(31-21(24-17)25-19(28)16-12-22-6-7-23-16)14-2-4-15(5-3-14)20(29)26-8-10-30-11-9-26/h2-5,16,22-23H,6-12H2,1H3,(H,24,25,28)
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide

G7H

G7H
Name:	(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
Formula:	C20 H23 N5 O3 S
SMILES:	CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3ccc(cc3)N4CCCC4=O
InChi:	InChI=1S/C20H23N5O3S/c1-12(26)17-18(13-4-6-14(7-5-13)25-10-2-3-16(25)27)29-20(23-17)24-19(28)15-11-21-8-9-22-15/h4-7,15,21-22H,2-3,8-11H2,1H3,(H,23,24,28)/t15-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide

G7N

G7N
Name:	(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
Formula:	C14 H17 N7 O2 S
SMILES:	C[CH](NC(N)=N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C14H17N7O2S/c1-6(19-13(16)17)12(23)21-14-20-10(7(2)22)11(24-14)8-3-9(15)5-18-4-8/h3-6H,15H2,1-2H3,(H4,16,17,19)(H,20,21,23)/t6-/m1/s1
Definition date:	2018-08-30
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide

G7Q

G7Q
Name:	(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
Formula:	C18 H26 F2 N4 O2 S
SMILES:	CC(=O)c1csc(NC(=O)[CH]2CNCCN2CCC3CCC(F)(F)CC3)n1
InChi:	InChI=1S/C18H26F2N4O2S/c1-12(25)14-11-27-17(22-14)23-16(26)15-10-21-7-9-24(15)8-4-13-2-5-18(19,20)6-3-13/h11,13,15,21H,2-10H2,1H3,(H,22,23,26)/t15-/m1/s1
Definition date:	2018-09-01
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

G8Y

G8Y
Name:	(8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol
Formula:	C29 H28 F N O5
SMILES:	c2c(OCCN1CC(C1)CF)ccc(c2)C6C3=C(CCOc4c3ccc(c4)O)c5ccc(O)cc5O6
InChi:	InChI=1S/C29H28FNO5/c30-15-18-16-31(17-18)10-12-34-22-5-1-19(2-6-22)29-28-24(23-7-3-21(33)14-27(23)36-29)9-11-35-26-13-20(32)4-8-25(26)28/h1-8,13-14,18,29,32-33H,9-12,15-17H2/t29-/m1/s1
Definition date:	2018-05-15
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol

G91

G91
Name:	(8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol
Formula:	C29 H28 F N O5
SMILES:	c1c(ccc(c1)C5C2=C(CCOc3c2ccc(c3)O)c4ccc(O)cc4O5)OCCN6CC(C6)CF
InChi:	InChI=1S/C29H28FNO5/c30-15-18-16-31(17-18)10-12-34-22-5-1-19(2-6-22)29-28-24(23-7-3-21(33)14-27(23)36-29)9-11-35-26-13-20(32)4-8-25(26)28/h1-8,13-14,18,29,32-33H,9-12,15-17H2/t29-/m0/s1
Definition date:	2018-05-16
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol

G9J

G9J
Name:	(2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol
Formula:	C22 H17 I O3
SMILES:	CC=1c4c(OC(C=1c2cc(ccc2)O)c3ccc(cc3)I)ccc(c4)O
InChi:	InChI=1S/C22H17IO3/c1-13-19-12-18(25)9-10-20(19)26-22(14-5-7-16(23)8-6-14)21(13)15-3-2-4-17(24)11-15/h2-12,22,24-25H,1H3/t22-/m0/s1
Definition date:	2018-05-16
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol

FXQ

FXQ
Name:	1-(4-carbamimidamidobutyl)guanidine
Formula:	C6 H16 N6
SMILES:	NC(=N)NCCCCNC(N)=N
InChi:	InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
Definition date:	2018-08-13
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	1-(4-carbamimidamidobutyl)guanidine

FXT

FXT
Name:	1-(5-carbamimidamidopentyl)guanidine
Formula:	C7 H18 N6
SMILES:	NC(=N)NCCCCCNC(N)=N
InChi:	InChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)
Definition date:	2018-08-14
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	1-(5-carbamimidamidopentyl)guanidine

J8A

J8A
Name:	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
Formula:	C29 H27 F3 N6 O2 S
SMILES:	c1cc(cc(c1)C(Nc3ccc(CN2CCNCC2)c(c3)C(F)(F)F)=O)c5ccc6nc(NC(=O)C4CC4)sc6n5
InChi:	InChI=1S/C29H27F3N6O2S/c30-29(31,32)22-15-21(7-6-20(22)16-38-12-10-33-11-13-38)34-26(40)19-3-1-2-18(14-19)23-8-9-24-27(35-23)41-28(36-24)37-25(39)17-4-5-17/h1-3,6-9,14-15,17,33H,4-5,10-13,16H2,(H,34,40)(H,36,37,39)
Definition date:	2018-08-22
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide

KSD

KSD
Name:	N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine
Formula:	C26 H29 N O5
SMILES:	c3cc(COc1cc(OC)c(c(c1)OC)CNC(C(=O)O)C)c(C)c(c2ccccc2)c3
InChi:	InChI=1S/C26H29NO5/c1-17-20(11-8-12-22(17)19-9-6-5-7-10-19)16-32-21-13-24(30-3)23(25(14-21)31-4)15-27-18(2)26(28)29/h5-14,18,27H,15-16H2,1-4H3,(H,28,29)/t18-/m1/s1
Definition date:	2019-01-11
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine

KUA

KUA
Name:	{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone
Formula:	C22 H21 N3 O4
SMILES:	C1N(CCN(C1)C(c4ccc(c3nc2c(cccc2)o3)cc4)=O)C(C5(CC5)O)=O
InChi:	InChI=1S/C22H21N3O4/c26-20(24-11-13-25(14-12-24)21(27)22(28)9-10-22)16-7-5-15(6-8-16)19-23-17-3-1-2-4-18(17)29-19/h1-8,28H,9-14H2
Definition date:	2019-01-15
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	{4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone

KW7

KW7
Name:	methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate
Formula:	C12 H11 F N2 O2
SMILES:	c2c(c1cnc(C(=O)OC)c1N)c(F)ccc2
InChi:	InChI=1S/C12H11FN2O2/c1-17-12(16)11-10(14)8(6-15-11)7-4-2-3-5-9(7)13/h2-6,15H,14H2,1H3
Definition date:	2019-01-18
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate

KWJ

KWJ
Name:	(7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
Formula:	C20 H17 N7 O2
SMILES:	C4(=O)C(C)N(CC#C)c3nc(Nc1cc2c(cc1)C(=O)NN2)ncc3N4CC#C
InChi:	InChI=1S/C20H17N7O2/c1-4-8-26-12(3)19(29)27(9-5-2)16-11-21-20(23-17(16)26)22-13-6-7-14-15(10-13)24-25-18(14)28/h1-2,6-7,10-12H,8-9H2,3H3,(H,21,22,23)(H2,24,25,28)/t12-/m1/s1
Definition date:	2019-01-21
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one

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