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8MW

8MW
Name:	2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid
Formula:	C12 H12 N2 O2 S
SMILES:	Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3
InChi:	InChI=1S/C12H12N2O2S/c1-5-8-6(2)13-10(7-3-4-7)14-11(8)17-9(5)12(15)16/h7H,3-4H2,1-2H3,(H,15,16)
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

8MZ

8MZ
Name:	5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
Formula:	C10 H8 N4 O S
SMILES:	Nc1scc(n1)c2ccc3NC(=O)Nc3c2
InChi:	InChI=1S/C10H8N4OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,11,12)(H2,13,14,15)
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one

8N2

8N2
Name:	(~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
Formula:	C11 H12 O4
SMILES:	COc1cccc(C=CC(O)=O)c1OC
InChi:	InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid

8N5

8N5
Name:	2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one
Formula:	C10 H8 N2 O S
SMILES:	O=C1NNC2=C1SCc3ccccc23
InChi:	InChI=1S/C10H8N2OS/c13-10-9-8(11-12-10)7-4-2-1-3-6(7)5-14-9/h1-4H,5H2,(H2,11,12,13)
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one

8QD

8QD
Name:	(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol
Formula:	C24 H33 N O
SMILES:	c1ccncc1C=4C3(CCC5C2(CCC(O)CC2CCC5C3CC=4)C)C
InChi:	InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18+,19-,21-,22-,23-,24+/m0/s1
Definition date:	2017-03-01
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol

Z24

Z24
Name:	(3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid
Formula:	C11 H11 F2 N O3
SMILES:	O[CH]1C[CH](CN1c2ccc(F)cc2F)C(O)=O
InChi:	InChI=1S/C11H11F2NO3/c12-7-1-2-9(8(13)4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6,10,15H,3,5H2,(H,16,17)/t6-,10-/m1/s1
Definition date:	2017-04-08
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	(3~{R},5~{R})-1-[2,4-bis(fluoranyl)phenyl]-5-oxidanyl-pyrrolidine-3-carboxylic acid

ZQU

ZQU
Name:	Zosuquidar
Formula:	C32 H31 F2 N3 O2
SMILES:	O[CH](COc1cccc2ncccc12)CN3CCN(CC3)C4c5ccccc5[CH]6[CH](c7ccccc47)C6(F)F
InChi:	InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1
Definition date:	2018-02-05
Last modified:	2018-02-16
Release date:	2018-02-21

9S4

9S4
Name:	(2~{S},3~{R},4~{R},5~{R})-3-acetamido-2-[(2~{S})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
Formula:	C11 H17 F N O7
SMILES:	O=C(O)C=1C(F)C(C(C([O+]=1)CC(CO)O)NC(=O)C)O
InChi:	InChI=1S/C11H16FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-9,14,16-17H,2-3H2,1H3,(H-,13,15,18,19)/p+1/t5-,6-,7+,8-,9-/m0/s1
Definition date:	2017-06-07
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	(2S,3R,4R,5R)-3-(acetylamino)-6-carboxy-2-[(2S)-2,3-dihydroxypropyl]-5-fluoro-4-hydroxy-2,3,4,5-tetrahydropyranium (non-preferred name)

9TM

9TM
Name:	(2~{R},3~{R},4~{R},5~{R})-3-acetamido-2-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
Formula:	C11 H17 F N O7
SMILES:	O=C(O)C=1C(F)C(C(C([O+]=1)C(O)C(C)O)NC(=O)C)O
InChi:	InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-8,10,14,16-17H,1-2H3,(H-,13,15,18,19)/p+1/t3-,5-,6-,7-,8+,10-/m1/s1
Definition date:	2017-06-07
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	(2R,3R,4R,5R)-3-(acetylamino)-6-carboxy-2-[(1R,2R)-1,2-dihydroxypropyl]-5-fluoro-4-hydroxy-2,3,4,5-tetrahydropyranium (non-preferred name)

9U4

9U4
Name:	3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
Formula:	C27 H33 F2 N7 O2
SMILES:	C1COCCC1n6c2CCN(C(NC)=O)Cc2c(N4CCCc3cc(c(cc34)C(F)F)c5cnn(c5)C)n6
InChi:	InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
Definition date:	2017-06-09
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

9WM

9WM
Name:	(2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid
Formula:	C11 H17 F N O7
SMILES:	OC(=O)C=1C(F)CC(C([O+]=1)C(O)C(CO)O)NC(=O)C
InChi:	InChI=1S/C11H16FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-8,10,14,16-17H,2-3H2,1H3,(H-,13,15,18,19)/p+1/t5-,6-,7-,8-,10-/m1/s1
Definition date:	2017-06-19
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	(2R,3R,5R)-3-(acetylamino)-6-carboxy-5-fluoro-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3,4,5-tetrahydropyranium (non-preferred name)

B6M

B6M
Name:	(1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside
Formula:	C23 H45 N5 O14
SMILES:	C1(OC(C(C(C1N)O)O)CO)OC2C(CC(N)C(C2OC3OC(C(C3O)OC4C(N)C(C(C(CN)O4)O)O)CO)O)N
InChi:	InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6-,7+,8-,9+,10-,11-,12+,13+,14-,15-,16+,17-,18-,19+,20+,21+,22-,23-/m1/s1
Definition date:	2017-08-02
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	(1R,2S,3S,4R,6R)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-alpha-L-altropyranosyl)-beta-L-arabinofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-allopyranoside

B9Q

B9Q
Name:	~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide
Formula:	C26 H25 F N4 O3
SMILES:	COc1ccc(cn1)[CH](Oc2ccc3n(ncc3c2)c4ccc(F)cc4)[CH](C)NC(=O)C5CC5
InChi:	InChI=1S/C26H25FN4O3/c1-16(30-26(32)17-3-4-17)25(18-5-12-24(33-2)28-14-18)34-22-10-11-23-19(13-22)15-29-31(23)21-8-6-20(27)7-9-21/h5-17,25H,3-4H2,1-2H3,(H,30,32)/t16-,25-/m0/s1
Definition date:	2017-09-28
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)propan-2-yl]cyclopropanecarboxamide

B9T

B9T
Name:	~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide
Formula:	C20 H19 Br F2 N4 O2
SMILES:	C[CH](NC(=O)C(C)(F)F)[CH](Oc1ccc(cc1Br)C#N)c2cnc(nc2)C3CC3
InChi:	InChI=1S/C20H19BrF2N4O2/c1-11(27-19(28)20(2,22)23)17(14-9-25-18(26-10-14)13-4-5-13)29-16-6-3-12(8-24)7-15(16)21/h3,6-7,9-11,13,17H,4-5H2,1-2H3,(H,27,28)/t11-,17-/m0/s1
Definition date:	2017-09-28
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide

B9W

B9W
Name:	2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide
Formula:	C27 H28 F2 N4 O3
SMILES:	CC(C)[CH](NC(=O)C(C)(F)F)[CH](Oc1ccc2n(ncc2c1)C3=CN(C)C(=O)C=C3)c4ccccc4
InChi:	InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1
Definition date:	2017-09-28
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide

C3J

C3J
Name:	5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide
Formula:	C24 H23 F2 N5 O
SMILES:	c2c1c(c(cn1)C(NC)=O)cc(c2)N5CCCc4c5cc(C(F)F)c(c3cnn(c3)C)c4
InChi:	InChI=1S/C24H23F2N5O/c1-27-24(32)20-12-28-21-6-5-16(9-18(20)21)31-7-3-4-14-8-17(15-11-29-30(2)13-15)19(23(25)26)10-22(14)31/h5-6,8-13,23,28H,3-4,7H2,1-2H3,(H,27,32)
Definition date:	2017-09-11
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide

C3V

C3V
Name:	5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one
Formula:	C22 H20 F2 N4 O S
SMILES:	c1(cn(C)nc1)c2cc3CCCN(c3cc2C(F)F)c4cc5c(cc4)SC(N5C)=O
InChi:	InChI=1S/C22H20F2N4OS/c1-26-12-14(11-25-26)16-8-13-4-3-7-28(18(13)10-17(16)21(23)24)15-5-6-20-19(9-15)27(2)22(29)30-20/h5-6,8-12,21H,3-4,7H2,1-2H3
Definition date:	2017-09-11
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one

C7Z

C7Z
Name:	(1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
Formula:	C40 H56 O2
SMILES:	CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C
InChi:	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1
Definition date:	2017-11-17
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	(1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol

EJ7

EJ7
Name:	N-{3-[(1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
Formula:	C18 H18 F N5 O3
SMILES:	c1(cc(c(cc1)F)C3(C)C2CC2OC(=N3)N)NC(=O)c4cnc(cn4)OC
InChi:	InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18+/m0/s1
Definition date:	2018-01-12
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	N-{3-[(1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide

BW8

BW8
Name:	2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid
Formula:	C22 H18 F2 N4 O5 S
SMILES:	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(SCC(O)=O)c(F)c3)c(F)c2)ccn1
InChi:	InChI=1S/C22H18F2N4O5S/c1-25-21(31)18-10-14(6-7-26-18)33-13-3-4-17(15(23)9-13)28-22(32)27-12-2-5-19(16(24)8-12)34-11-20(29)30/h2-10H,11H2,1H3,(H,25,31)(H,29,30)(H2,27,28,32)
Definition date:	2017-10-20
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid

8SQ

8SQ
Name:	3-naphthalen-1-yl-~{N}-oxidanyl-propanamide
Formula:	C13 H13 N O2
SMILES:	ONC(=O)CCc1cccc2ccccc12
InChi:	InChI=1S/C13H13NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,16H,8-9H2,(H,14,15)
Definition date:	2017-03-03
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	3-naphthalen-1-yl-~{N}-oxidanyl-propanamide

8YC

8YC
Name:	(2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile
Formula:	C14 H20 N4 O2
SMILES:	OCC1(CCCC1)NCC(=O)N2[CH](CC[CH]2C#N)C#N
InChi:	InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+
Definition date:	2017-11-08
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	(2~{S},5~{R})-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile

92E

92E
Name:	~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide
Formula:	C24 H23 N3 O6
SMILES:	CCOc1ccc(cc1NC(=O)c2cc(NC(C)=O)cc(NC(=O)c3occc3)c2)C(C)=O
InChi:	InChI=1S/C24H23N3O6/c1-4-32-21-8-7-16(14(2)28)12-20(21)27-23(30)17-10-18(25-15(3)29)13-19(11-17)26-24(31)22-6-5-9-33-22/h5-13H,4H2,1-3H3,(H,25,29)(H,26,31)(H,27,30)
Definition date:	2017-04-05
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide

95C

95C
Name:	4-nitro-2-[(phenylacetyl)amino]benzamide
Formula:	C15 H13 N3 O4
SMILES:	c1(C(=O)N)ccc(cc1NC(Cc2ccccc2)=O)[N+]([O-])=O
InChi:	InChI=1S/C15H13N3O4/c16-15(20)12-7-6-11(18(21)22)9-13(12)17-14(19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,20)(H,17,19)
Definition date:	2017-12-21
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	4-nitro-2-[(phenylacetyl)amino]benzamide

95N

95N
Name:	1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine
Formula:	C16 H23 Br N6
SMILES:	CN(CCc1ccc(Br)cc1)C2CCN(CC2)c3[nH]nc(N)n3
InChi:	InChI=1S/C16H23BrN6/c1-22(9-6-12-2-4-13(17)5-3-12)14-7-10-23(11-8-14)16-19-15(18)20-21-16/h2-5,14H,6-11H2,1H3,(H3,18,19,20,21)
Definition date:	2017-04-24
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine

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