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5FV

5FV
Name:	phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
Formula:	C26 H24 O6 S2
SMILES:	Cc1cc(O)ccc1C3=C(c2ccc(O)cc2C)C4S(=O)C3CC4S(=O)(=O)Oc5ccccc5
InChi:	InChI=1S/C26H24O6S2/c1-15-12-17(27)8-10-20(15)24-22-14-23(34(30,31)32-19-6-4-3-5-7-19)26(33(22)29)25(24)21-11-9-18(28)13-16(21)2/h3-13,22-23,26-28H,14H2,1-2H3/t22-,23-,26+,33-/m0/s1
Definition date:	2015-09-22
Last modified:	2020-06-27
Release date:	2016-05-04
Identifier:	phenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide

5FY

5FY
Name:	4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide
Formula:	C26 H24 O7 S2
SMILES:	Cc1cc(O)ccc1C3=C(c2c(cc(cc2)O)C)C4S(C3CC4S(=O)(=O)Oc5ccc(O)cc5)=O
InChi:	InChI=1S/C26H24O7S2/c1-14-11-17(28)5-9-20(14)24-22-13-23(35(31,32)33-19-7-3-16(27)4-8-19)26(34(22)30)25(24)21-10-6-18(29)12-15(21)2/h3-12,22-23,26-29H,13H2,1-2H3/t22-,23-,26+,34-/m0/s1
Definition date:	2015-09-22
Last modified:	2020-06-27
Release date:	2016-05-04
Identifier:	4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide

5LQ

5LQ
Name:	5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine
Formula:	C17 H22 Cl N3 O3 S
SMILES:	CC1=C(c2cccc(Cl)c2)[S](=O)(=O)N=C1NCCCN3CCOCC3
InChi:	InChI=1S/C17H22ClN3O3S/c1-13-16(14-4-2-5-15(18)12-14)25(22,23)20-17(13)19-6-3-7-21-8-10-24-11-9-21/h2,4-5,12H,3,6-11H2,1H3,(H,19,20)
Definition date:	2015-10-20
Last modified:	2020-06-27
Release date:	2016-03-30
Identifier:	5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine

5QT

5QT
Name:	2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate
Formula:	C10 H16 N4 O3 S
SMILES:	CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S
InChi:	InChI=1S/C10H16N4O3S/c1-10(2,3)5-17-6(15)4-11-7-8(18)12-9(16)14-13-7/h4-5H2,1-3H3,(H,11,13)(H2,12,14,16,18)
Definition date:	2015-11-11
Last modified:	2020-06-27
Release date:	2016-04-20
Identifier:	2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate

S07

S07
Name:	2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
Formula:	C14 H19 N O3
SMILES:	Cc1ccc(OCC(=O)N2CCOCC2)c(C)c1
InChi:	InChI=1S/C14H19NO3/c1-11-3-4-13(12(2)9-11)18-10-14(16)15-5-7-17-8-6-15/h3-4,9H,5-8,10H2,1-2H3
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone

S0P

S0P
Name:	~{N}-(4-cyanophenyl)ethanamide
Formula:	C9 H8 N2 O
SMILES:	CC(=O)Nc1ccc(cc1)C#N
InChi:	InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	~{N}-(4-cyanophenyl)ethanamide

S0S

S0S
Name:	(3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol
Formula:	C10 H14 N2 O3 S
SMILES:	O[CH]1C[S](=O)(=O)C[CH]1NCc2cccnc2
InChi:	InChI=1S/C10H14N2O3S/c13-10-7-16(14,15)6-9(10)12-5-8-2-1-3-11-4-8/h1-4,9-10,12-13H,5-7H2/t9-,10-/m0/s1
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol

S0V

S0V
Name:	morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone
Formula:	C7 H9 N3 O2 S
SMILES:	O=C(N1CCOCC1)c2csnn2
InChi:	InChI=1S/C7H9N3O2S/c11-7(6-5-13-9-8-6)10-1-3-12-4-2-10/h5H,1-4H2
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone

U2J

U2J
Name:	(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
Formula:	C23 H24 N10 O5 S
SMILES:	c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O
InChi:	InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16-/m0/s1
Definition date:	2020-04-09
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide

SGG

SGG
Name:	[(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid
Formula:	C18 H22 Cl2 N O3 P
SMILES:	C[CH](NC[CH](O)C[P](O)(=O)Cc1ccccc1)c2ccc(Cl)c(Cl)c2
InChi:	InChI=1S/C18H22Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h2-9,13,16,21-22H,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1
Definition date:	2020-03-09
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	[(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl)phosphinic acid

S1G

S1G
Name:	4-[(phenylmethyl)amino]benzoic acid
Formula:	C14 H13 N O2
SMILES:	OC(=O)c1ccc(NCc2ccccc2)cc1
InChi:	InChI=1S/C14H13NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-[(phenylmethyl)amino]benzoic acid

S1J

S1J
Name:	3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid
Formula:	C13 H13 N3 O2
SMILES:	Nc1cc(ccc1NCc2cccnc2)C(O)=O
InChi:	InChI=1S/C13H13N3O2/c14-11-6-10(13(17)18)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18)
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid

S1M

S1M
Name:	methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate
Formula:	C9 H14 N2 O4
SMILES:	COC(=O)C[CH]1N(CCNC1=O)C(C)=O
InChi:	InChI=1S/C9H14N2O4/c1-6(12)11-4-3-10-9(14)7(11)5-8(13)15-2/h7H,3-5H2,1-2H3,(H,10,14)/t7-/m0/s1
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate

U3G

U3G
Name:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Formula:	C43 H76 N O8 P
SMILES:	[C@H](=CCCCCCCCC)CCCCCCCC(=O)OC(COC(CCCC=C/CC=[C@H]CC=[C@H]C[C@H]=[C@H]CCCCC)=O)COP(O)(=O)OCCN
InChi:	InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44)52-43(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-23,27,29,41H,3-10,12,14-16,20,24-26,28,30-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,21-18-,23-22-,29-27-/t41-/m1/s1
Definition date:	2020-04-13
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

S1V

S1V
Name:	1-ethanoylpiperidine-4-carbonitrile
Formula:	C8 H12 N2 O
SMILES:	CC(=O)N1CCC(CC1)C#N
InChi:	InChI=1S/C8H12N2O/c1-7(11)10-4-2-8(6-9)3-5-10/h8H,2-5H2,1H3
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	1-ethanoylpiperidine-4-carbonitrile

U3V

U3V
Name:	(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
Formula:	C24 H38 N6 O4
SMILES:	c1c(n(C)nc1C(C)(C)C)C(=O)N2CCC(CC2)CC(C(NC)=O)NC(C3CCCC(N3)=O)=O
InChi:	InChI=1S/C24H38N6O4/c1-24(2,3)19-14-18(29(5)28-19)23(34)30-11-9-15(10-12-30)13-17(21(32)25-4)27-22(33)16-7-6-8-20(31)26-16/h14-17H,6-13H2,1-5H3,(H,25,32)(H,26,31)(H,27,33)/t16-,17-/m0/s1
Definition date:	2020-04-15
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide

U3Y

U3Y
Name:	(4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
Formula:	C23 H24 N10 O5 S
SMILES:	c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O
InChi:	InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16+/m0/s1
Definition date:	2020-04-15
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide

S2J

S2J
Name:	methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate
Formula:	C10 H17 N3 O4
SMILES:	CCNC(=O)N1CCNC(=O)[CH]1CC(=O)OC
InChi:	InChI=1S/C10H17N3O4/c1-3-11-10(16)13-5-4-12-9(15)7(13)6-8(14)17-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,15)/t7-/m1/s1
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

S2S

S2S
Name:	4-(methylsulfonylamino)benzamide
Formula:	C8 H10 N2 O3 S
SMILES:	C[S](=O)(=O)Nc1ccc(cc1)C(N)=O
InChi:	InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-(methylsulfonylamino)benzamide

S2Y

S2Y
Name:	~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline
Formula:	C14 H14 F N O
SMILES:	COc1ccc(NCc2ccc(F)cc2)cc1
InChi:	InChI=1S/C14H14FNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline

S34

S34
Name:	2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide
Formula:	C9 H9 N3 O
SMILES:	O=C(CC#N)NCc1ccncc1
InChi:	InChI=1S/C9H9N3O/c10-4-1-9(13)12-7-8-2-5-11-6-3-8/h2-3,5-6H,1,7H2,(H,12,13)
Definition date:	2020-03-03
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide

U6D

U6D
Name:	(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
Formula:	C28 H33 F4 N3 O
SMILES:	C5c1c(nc2c1cccc2)C(c4c(cc(OCCN3CC(CF)C3)cc4F)F)N(CC(F)(C)C)C5C
InChi:	InChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1
Definition date:	2020-04-27
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline

K3Q

K3Q
Name:	3,6-O-dimethyl-D-glucose
Formula:	C8 H16 O6
SMILES:	COC[CH]1O[CH](O)[CH](O)[CH](OC)[CH]1O
InChi:	InChI=1S/C8H16O6/c1-12-3-4-5(9)7(13-2)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8-/m1/s1
Definition date:	2019-04-17
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-4-methoxy-6-(methoxymethyl)oxane-2,3,5-triol

K42

K42
Name:	4-(2-azanylethoxy)phenol
Formula:	C8 H11 N O2
SMILES:	NCCOc1ccc(O)cc1
InChi:	InChI=1S/C8H11NO2/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2
Definition date:	2019-04-18
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-(2-azanylethoxy)phenol

V3J

V3J
Name:	(4,7-dihydro-2H-1lambda~4~,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone
Formula:	C11 H11 N3 O2 S
SMILES:	C3N(C(c2ccc1c(nns1)c2)=O)CCOC3
InChi:	InChI=1S/C11H11N3O2S/c15-11(14-3-5-16-6-4-14)8-1-2-10-9(7-8)12-13-17-10/h1-2,7H,3-6H2
Definition date:	2020-06-19
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone

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