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S4V

S4V
Name:	~{N}2-pyridin-2-ylbenzene-1,2-diamine
Formula:	C11 H11 N3
SMILES:	Nc1ccccc1Nc2ccccn2
InChi:	InChI=1S/C11H11N3/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2,(H,13,14)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}2-pyridin-2-ylbenzene-1,2-diamine

S4Y

S4Y
Name:	(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide
Formula:	C11 H13 Cl N2 O2
SMILES:	c1c(ccc(c1)Cl)C2CCC(C(NN)=O)O2
InChi:	InChI=1S/C11H13ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-4,9-10H,5-6,13H2,(H,14,15)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide

S5A

S5A
Name:	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
Formula:	C15 H14 O3
SMILES:	OC(=O)CCc1ccc(cc1)c2ccc(O)cc2
InChi:	InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid

S5J

S5J
Name:	2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile
Formula:	C13 H17 N3 O
SMILES:	COc1ccccc1N2CCN(CC2)CC#N
InChi:	InChI=1S/C13H17N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,7-11H2,1H3
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile

S64

S64
Name:	(3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine
Formula:	C14 H17 N O S
SMILES:	COc1ccc(cc1)C2=NCC[CH]3SCC[CH]23
InChi:	InChI=1S/C14H17NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,12-13H,6-9H2,1H3/t12-,13+/m0/s1
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine

S7G

S7G
Name:	~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
Formula:	C11 H14 N2 O
SMILES:	CC(=O)N[CH]1CNc2ccccc2C1
InChi:	InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide

S8D

S8D
Name:	2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
Formula:	C10 H20 N2 O2
SMILES:	CCNC(=O)CN1C[CH](C)OC[CH]1C
InChi:	InChI=1S/C10H20N2O2/c1-4-11-10(13)6-12-5-9(3)14-7-8(12)2/h8-9H,4-7H2,1-3H3,(H,11,13)/t8-,9+/m0/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide

S8G

S8G
Name:	1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
Formula:	C9 H15 F3 N2 O
SMILES:	N[CH]1CCCN(C1)C(=O)CCC(F)(F)F
InChi:	InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one

S8J

S8J
Name:	3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
Formula:	C11 H13 N5 O2
SMILES:	CCOc1cccc(c1)C(=O)Nc2nnn(C)n2
InChi:	InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide

S8P

S8P
Name:	5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
Formula:	C10 H14 N2 O2 S
SMILES:	Cc1snc(c1)C(=O)NC[CH]2CCCO2
InChi:	InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m0/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide

S9D

S9D
Name:	2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine
Formula:	C13 H14 N4 O
SMILES:	C1C[CH](NN1)c2ccc(Oc3ncccn3)cc2
InChi:	InChI=1S/C13H14N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-5,7-8,12,16-17H,6,9H2/t12-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine

S9G

S9G
Name:	cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
Formula:	C13 H20 N2 O3
SMILES:	O=C(C1CC1)N2CCN(CC2)C(=O)[CH]3CCCO3
InChi:	InChI=1S/C13H20N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h10-11H,1-9H2/t11-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone

S9J

S9J
Name:	2-(2-methoxyphenoxy)ethanehydrazide
Formula:	C9 H12 N2 O3
SMILES:	COc1ccccc1OCC(=O)NN
InChi:	InChI=1S/C9H12N2O3/c1-13-7-4-2-3-5-8(7)14-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-(2-methoxyphenoxy)ethanehydrazide

S9M

S9M
Name:	2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol
Formula:	C9 H10 F2 N2 O
SMILES:	C2(c1c(O)c(cc(c1)F)F)NNCC2
InChi:	InChI=1S/C9H10F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h3-4,8,12-14H,1-2H2
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol

S9S

S9S
Name:	~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
Formula:	C9 H12 F N O2 S
SMILES:	C[S](=O)(=O)NCCc1ccc(F)cc1
InChi:	InChI=1S/C9H12FNO2S/c1-14(12,13)11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide

S9V

S9V
Name:	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
Formula:	C11 H15 Cl N2 O2
SMILES:	CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1
InChi:	InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea

MU4

MU4
Name:	N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Formula:	C27 H54 N3 O8 P
SMILES:	OP(OCC(C)(C(O)C(=O)NCCC(=O)NCCNC(CCCCCCCCCCCCCCC)=O)C)(=O)O
InChi:	InChI=1S/C27H54N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h25,33H,4-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/t25-/m0/s1
Definition date:	2019-04-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide

MVV

MVV
Name:	(2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
Formula:	C45 H84 O10
SMILES:	C1(C(CO)OC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCCCCC=[C@H]CCCCCCCC)C(C1O)O)O
InChi:	InChI=1S/C45H84O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,38-39,42-46,49-51H,3-17,19,21-37H2,1-2H3/b20-18-/t38-,39+,42+,43-,44+,45-/m0/s1
Definition date:	2019-04-19
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate

SNQ

SNQ
Name:	5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile
Formula:	C11 H9 N3
SMILES:	Nc1ccc(n2cccc2)c(c1)C#N
InChi:	InChI=1S/C11H9N3/c12-8-9-7-10(13)3-4-11(9)14-5-1-2-6-14/h1-7H,13H2
Definition date:	2011-07-11
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile

O1H

O1H
Name:	4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile
Formula:	C24 H15 Cl N8
SMILES:	Clc1cc(cc2n(nnc12)c3ccc4cn[nH]c4c3)c5ccnn5Cc6ccc(cc6)C#N
InChi:	InChI=1S/C24H15ClN8/c25-20-9-18(22-7-8-28-32(22)14-16-3-1-15(12-26)2-4-16)10-23-24(20)30-31-33(23)19-6-5-17-13-27-29-21(17)11-19/h1-11,13H,14H2,(H,27,29)
Definition date:	2020-01-21
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile

O1Q

O1Q
Name:	4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
Formula:	C23 H16 Cl N7
SMILES:	Cc1cccc(c1)n2nccc2c3cc(Cl)c4nnn(c5ccc6cn[nH]c6c5)c4c3
InChi:	InChI=1S/C23H16ClN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27)
Definition date:	2020-01-21
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole

O1T

O1T
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Formula:	C20 H24 Cl F N4 O9 P2
SMILES:	C[CH](Nc1cc(Cl)nc2n(ncc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O)c4ccc(F)cc4
InChi:	InChI=1S/C20H24ClFN4O9P2/c1-10(11-2-4-12(22)5-3-11)24-14-6-16(21)25-19-13(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
Definition date:	2020-01-21
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

D6D

D6D
Name:	(1S,2S,3S,4R,5R)-2-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C11 H20 N2 O4
SMILES:	OCC3CCCN3C1C2OCC(C(C1O)N)O2
InChi:	InChI=1S/C11H20N2O4/c12-8-7-5-16-11(17-7)9(10(8)15)13-3-1-2-6(13)4-14/h6-11,14-15H,1-5,12H2/t6-,7+,8+,9+,10-,11+/m0/s1
Definition date:	2017-10-20
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1S,2S,3S,4R,5R)-2-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)

D6S

D6S
Name:	(1S,2S,3S,4R,5R)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol
Formula:	C14 H20 N2 O3
SMILES:	c3cccc(CN(C1C2OC(C(N)C1O)CO2)C)c3
InChi:	InChI=1S/C14H20N2O3/c1-16(7-9-5-3-2-4-6-9)12-13(17)11(15)10-8-18-14(12)19-10/h2-6,10-14,17H,7-8,15H2,1H3/t10-,11-,12-,13+,14-/m1/s1
Definition date:	2017-10-20
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(1S,2S,3S,4R,5R)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol (non-preferred name)

D6V

D6V
Name:	2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole
Formula:	C11 H13 N3
SMILES:	c32nc(C1CNCC1)nc2cccc3
InChi:	InChI=1S/C11H13N3/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2,(H,13,14)/t8-/m0/s1
Definition date:	2017-10-20
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole

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