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AUU

AUU
Name:	(1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
Formula:	C8 H13 N O2
SMILES:	C(C1(C2CCC(C1)C2)N)(=O)O
InChi:	InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8+/m1/s1
Definition date:	2018-11-21
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid

B0X

B0X
Name:	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
Formula:	C23 H21 N3 O4
SMILES:	Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(C)nc4C)cc13
InChi:	InChI=1S/C23H21N3O4/c1-14-7-10-21(15(2)24-14)30-18-8-9-19-20(12-18)26(3)22(25-19)13-29-17-6-4-5-16(11-17)23(27)28/h4-12H,13H2,1-3H3,(H,27,28)
Definition date:	2018-12-28
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid

B1O

B1O
Name:	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
Formula:	C23 H20 F N3 O4
SMILES:	Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(C)nc4C)c(F)c13
InChi:	InChI=1S/C23H20FN3O4/c1-13-7-9-18(14(2)25-13)31-19-10-8-17-22(21(19)24)27(3)20(26-17)12-30-16-6-4-5-15(11-16)23(28)29/h4-11H,12H2,1-3H3,(H,28,29)
Definition date:	2018-12-28
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-[[6-(2,6-dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid

LUD

LUD
Name:	N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid
Formula:	C20 H21 N7 O7
SMILES:	N=4C2=C(N3C(N(c1ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)CC3CN2)=O)C(=O)NC=4N
InChi:	InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1
Definition date:	2019-03-14
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid

H31

H31
Name:	1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
Formula:	C17 H17 N O
SMILES:	c1(ccc(cc1)C)c3c(N2CCCC2=O)cccc3
InChi:	InChI=1S/C17H17NO/c1-13-8-10-14(11-9-13)15-5-2-3-6-16(15)18-12-4-7-17(18)19/h2-3,5-6,8-11H,4,7,12H2,1H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one

H3A

H3A
Name:	N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide
Formula:	C15 H14 Cl N O2
SMILES:	N(C(Cc1cccc(c1)OC)=O)c2cccc(c2)Cl
InChi:	InChI=1S/C15H14ClNO2/c1-19-14-7-2-4-11(8-14)9-15(18)17-13-6-3-5-12(16)10-13/h2-8,10H,9H2,1H3,(H,17,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(3-chlorophenyl)-2-(3-methoxyphenyl)acetamide

H3D

H3D
Name:	N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
Formula:	C15 H19 N O3
SMILES:	C3C(c1cc2c(cc1)OCCO2)(NC(=O)C)CCC3
InChi:	InChI=1S/C15H19NO3/c1-11(17)16-15(6-2-3-7-15)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

H3G

H3G
Name:	(4-tert-butylpiperidin-1-yl)(phenyl)methanone
Formula:	C16 H23 N O
SMILES:	N1(CCC(CC1)C(C)(C)C)C(=O)c2ccccc2
InChi:	InChI=1S/C16H23NO/c1-16(2,3)14-9-11-17(12-10-14)15(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(4-tert-butylpiperidin-1-yl)(phenyl)methanone

H3J

H3J
Name:	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one
Formula:	C11 H9 N O2
SMILES:	n2cccc(OC=1C(C=CC=1C)=O)c2
InChi:	InChI=1S/C11H9NO2/c1-8-4-5-10(13)11(8)14-9-3-2-6-12-7-9/h2-7H,1H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one

H3V

H3V
Name:	N-(1,2-oxazol-3-yl)-2-phenylacetamide
Formula:	C11 H10 N2 O2
SMILES:	N(C(Cc1ccccc1)=O)c2ccon2
InChi:	InChI=1S/C11H10N2O2/c14-11(12-10-6-7-15-13-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(1,2-oxazol-3-yl)-2-phenylacetamide

H3Y

H3Y
Name:	(3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol
Formula:	C15 H20 N2 O
SMILES:	N1C3CC2C1(CNC2)C(O)CC3c4ccccc4
InChi:	InChI=1S/C15H20N2O/c18-14-7-12(10-4-2-1-3-5-10)13-6-11-8-16-9-15(11,14)17-13/h1-5,11-14,16-18H,6-9H2/t11-,12-,13-,14+,15+/m1/s1
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol

H47

H47
Name:	2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide
Formula:	C12 H12 N2 O3
SMILES:	N(C(Cc1cccc(OC)c1)=O)c2ccon2
InChi:	InChI=1S/C12H12N2O3/c1-16-10-4-2-3-9(7-10)8-12(15)13-11-5-6-17-14-11/h2-7H,8H2,1H3,(H,13,14,15)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide

H4A

H4A
Name:	(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol
Formula:	C15 H20 N2 O
SMILES:	N1CC3C4(C1)C(O)CC(c2ccccc2)C(C3)N4
InChi:	InChI=1S/C15H20N2O/c18-14-7-12(10-4-2-1-3-5-10)13-6-11-8-16-9-15(11,14)17-13/h1-5,11-14,16-18H,6-9H2/t11-,12-,13-,14-,15+/m1/s1
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol

H4D

H4D
Name:	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid
Formula:	C13 H12 B N O5 S
SMILES:	N(C(=O)Cc1cccs1)c2cc(cc(c2)C(=O)O)B(O)O
InChi:	InChI=1S/C13H12BNO5S/c16-12(7-11-2-1-3-21-11)15-10-5-8(13(17)18)4-9(6-10)14(19)20/h1-6,19-20H,7H2,(H,15,16)(H,17,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid

H4G

H4G
Name:	2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide
Formula:	C13 H10 F2 N2 O
SMILES:	N(C(Cc1ccc(F)cc1F)=O)c2cccnc2
InChi:	InChI=1S/C13H10F2N2O/c14-10-4-3-9(12(15)7-10)6-13(18)17-11-2-1-5-16-8-11/h1-5,7-8H,6H2,(H,17,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide

H4Y

H4Y
Name:	1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
Formula:	C17 H17 N O2
SMILES:	N1(C(CCC1)=O)c3c(c2ccc(cc2)OC)cccc3
InChi:	InChI=1S/C17H17NO2/c1-20-14-10-8-13(9-11-14)15-5-2-3-6-16(15)18-12-4-7-17(18)19/h2-3,5-6,8-11H,4,7,12H2,1H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one

H54

H54
Name:	2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide
Formula:	C14 H14 N2 O
SMILES:	N(C(Cc1cccc(C)c1)=O)c2cccnc2
InChi:	InChI=1S/C14H14N2O/c1-11-4-2-5-12(8-11)9-14(17)16-13-6-3-7-15-10-13/h2-8,10H,9H2,1H3,(H,16,17)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide

H5D

H5D
Name:	2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide
Formula:	C20 H21 Cl N2 O2
SMILES:	N(c1cccc(c1)Cl)C(Cc3cc(C2CCCN2C(=O)C)ccc3)=O
InChi:	InChI=1S/C20H21ClN2O2/c1-14(24)23-10-4-9-19(23)16-6-2-5-15(11-16)12-20(25)22-18-8-3-7-17(21)13-18/h2-3,5-8,11,13,19H,4,9-10,12H2,1H3,(H,22,25)/t19-/m0/s1
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-{3-[(2S)-1-acetylpyrrolidin-2-yl]phenyl}-N-(3-chlorophenyl)acetamide

H5G

H5G
Name:	N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide
Formula:	C14 H12 Cl N O2
SMILES:	N(C(Cc1cccc(O)c1)=O)c2cccc(c2)Cl
InChi:	InChI=1S/C14H12ClNO2/c15-11-4-2-5-12(9-11)16-14(18)8-10-3-1-6-13(17)7-10/h1-7,9,17H,8H2,(H,16,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide

H68

H68
Name:	Tetrahydrocolumbamine
Formula:	C20 H23 N O4
SMILES:	COc1cc2CCN3Cc4c(C[CH]3c2cc1O)ccc(OC)c4OC
InChi:	InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
Definition date:	2018-11-16
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(13~{a}~{S})-3,9,10-trimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[2,1-b]isoquinolin-2-ol

JGN

JGN
Name:	[(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol
Formula:	C18 H26 N2 O2
SMILES:	CO[CH]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[CH](CO)C1
InChi:	InChI=1S/C18H26N2O2/c1-12-8-13(2)18-16(4-6-19-18)17(12)10-20-7-5-15(22-3)9-14(20)11-21/h4,6,8,14-15,19,21H,5,7,9-11H2,1-3H3/t14-,15-/m0/s1
Definition date:	2019-02-25
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	[(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol

JGQ

JGQ
Name:	4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
Formula:	C25 H30 N2 O4
SMILES:	CCO[CH]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[CH](C1)c4ccc(cc4)C(O)=O
InChi:	InChI=1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1
Definition date:	2019-02-25
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid

JGT

JGT
Name:	~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine
Formula:	C14 H14 Br N3
SMILES:	Cc1cc(Br)c(NC2=NCCN2)c3ccccc13
InChi:	InChI=1S/C14H14BrN3/c1-9-8-12(15)13(18-14-16-6-7-17-14)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H2,16,17,18)
Definition date:	2019-02-25
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine

E9E

E9E
Name:	1-[methoxy(methyl)phosphoryl]oxyethane
Formula:	C4 H11 O3 P
SMILES:	CCO[P](C)(=O)OC
InChi:	InChI=1S/C4H11O3P/c1-4-7-8(3,5)6-2/h4H2,1-3H3/t8-/m0/s1
Definition date:	2018-03-06
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-[methoxy(methyl)phosphoryl]oxyethane

EBK

EBK
Name:	2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
Formula:	C22 H26 Cl2 N6 O2 S
SMILES:	CN1CCN(CC1)c2cc(ccn2)c3cc(Cl)c(c(Cl)c3)[S](=O)(=O)Nc4c(C)nn(C)c4C
InChi:	InChI=1S/C22H26Cl2N6O2S/c1-14-21(15(2)29(4)26-14)27-33(31,32)22-18(23)11-17(12-19(22)24)16-5-6-25-20(13-16)30-9-7-28(3)8-10-30/h5-6,11-13,27H,7-10H2,1-4H3
Definition date:	2018-03-13
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

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