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LMW

LMW
Name:	2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol
Formula:	C10 H16 N2 O
SMILES:	CCN(CCO)c1ccc(N)cc1
InChi:	InChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol

LNS

LNS
Name:	6-(methylcarbamoyl)pyridine-2-carboxylic acid
Formula:	C8 H8 N2 O3
SMILES:	OC(=O)c1cccc(n1)C(=O)NC
InChi:	InChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	6-(methylcarbamoyl)pyridine-2-carboxylic acid

LO6

LO6
Name:	2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
Formula:	C9 H15 F2 N O3
SMILES:	O=C(COC(F)F)N1CC(C)OC(C)C1
InChi:	InChI=1S/C9H15F2NO3/c1-6-3-12(4-7(2)15-6)8(13)5-14-9(10)11/h6-7,9H,3-5H2,1-2H3/t6-,7+
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one

LPU

LPU
Name:	1-(methanesulfonyl)piperidin-4-ol
Formula:	C6 H13 N O3 S
SMILES:	OC1CCN(CC1)S(=O)(C)=O
InChi:	InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-(methanesulfonyl)piperidin-4-ol

LQ3

LQ3
Name:	(5S)-5-(difluoromethoxy)pyridin-2(5H)-one
Formula:	C6 H5 F2 N O2
SMILES:	O=C1C=CC(OC(F)F)C=N1
InChi:	InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1-4,6H/t4-/m0/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(5S)-5-(difluoromethoxy)pyridin-2(5H)-one

LQI

LQI
Name:	(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone
Formula:	C15 H17 N O2
SMILES:	CC1CCN(CC1)C(=O)c1cc2ccccc2o1
InChi:	InChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone

LQP

LQP
Name:	2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
Formula:	C10 H15 F2 N O2
SMILES:	FC(F)OCC(=O)N1CC2CCCC2C1
InChi:	InChI=1S/C10H15F2NO2/c11-10(12)15-6-9(14)13-4-7-2-1-3-8(7)5-13/h7-8,10H,1-6H2/t7-,8+
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one

LQV

LQV
Name:	(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide
Formula:	C11 H14 N2 O2
SMILES:	O=C(Nc1ccc(C)cn1)C1CCCO1
InChi:	InChI=1S/C11H14N2O2/c1-8-4-5-10(12-7-8)13-11(14)9-3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,13,14)/t9-/m0/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide

LR9

LR9
Name:	3-amino-N-ethyl-N-methylbenzamide
Formula:	C10 H14 N2 O
SMILES:	O=C(c1cc(N)ccc1)N(C)CC
InChi:	InChI=1S/C10H14N2O/c1-3-12(2)10(13)8-5-4-6-9(11)7-8/h4-7H,3,11H2,1-2H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-amino-N-ethyl-N-methylbenzamide

LRF

LRF
Name:	N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide
Formula:	C8 H10 N4 O S
SMILES:	N#Cc1c(snc1C)N(C)CC(N)=O
InChi:	InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide

LRR

LRR
Name:	1-(morpholin-4-yl)-4-phenylbutan-1-one
Formula:	C14 H19 N O2
SMILES:	O=C(CCCc1ccccc1)N1CCOCC1
InChi:	InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-(morpholin-4-yl)-4-phenylbutan-1-one

7SE

7SE
Name:	(3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione
Formula:	C11 H10 N4 O2
SMILES:	O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1
InChi:	InChI=1S/C11H10N4O2/c16-10-6-5-9(11(17)12-10)15-13-7-3-1-2-4-8(7)14-15/h1-4,9H,5-6H2,(H,12,16,17)/t9-/m0/s1
Definition date:	2021-08-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(3~{S})-3-(benzotriazol-2-yl)piperidine-2,6-dione

BA7

BA7
Name:	[(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate
Formula:	C22 H27 N5 O15 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](OC(=O)c5ccccc5)[CH]4O)[CH](O)[CH]3O
InChi:	InChI=1S/C22H27N5O15P2/c23-18-13-19(25-8-24-18)27(9-26-13)20-16(30)14(28)11(39-20)6-37-43(33,34)42-44(35,36)38-7-12-15(29)17(22(32)40-12)41-21(31)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-17,20,22,28-30,32H,6-7H2,(H,33,34)(H,35,36)(H2,23,24,25)/t11-,12-,14-,15-,16-,17-,20-,22-/m1/s1
Definition date:	2021-06-26
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] benzoate

UR5

UR5
Name:	(+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
Formula:	C6 H8 N2 O4
SMILES:	OC(=O)[CH]1NC[CH]2[CH]1ONC2=O
InChi:	InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1
Synonyms:	(3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid
Definition date:	2021-03-09
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid

UR8

UR8
Name:	(-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
Formula:	C6 H8 N2 O4
SMILES:	OC(=O)[CH]1NC[CH]2[CH]1ONC2=O
InChi:	InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m1/s1
Synonyms:	(3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid
Definition date:	2021-03-09
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid

URH

URH
Name:	~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide
Formula:	C21 H18 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(cc2)C(=O)c3ccccc3
InChi:	InChI=1S/C21H18N2O4S/c22-28(26,27)19-12-10-18(11-13-19)21(25)23-14-15-6-8-17(9-7-15)20(24)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H2,22,26,27)
Definition date:	2021-03-10
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide

JAX

JAX
Name:	(E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid
Formula:	C12 H11 N O3
SMILES:	CC(=C(O)C(O)=O)c1c[nH]c2ccccc12
InChi:	InChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-6,13-14H,1H3,(H,15,16)/b11-7+
Definition date:	2021-05-10
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(~{E})-3-(1~{H}-indol-3-yl)-2-oxidanyl-but-2-enoic acid

JCX

JCX
Name:	(2S,3R)-2-azanyl-3-phenyl-butanoic acid
Formula:	C10 H13 N O2
SMILES:	C[CH]([CH](N)C(O)=O)c1ccccc1
InChi:	InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9+/m1/s1
Definition date:	2021-05-19
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2~{S},3~{R})-2-azanyl-3-phenyl-butanoic acid

JD3

JD3
Name:	(2S,3R)-2-azanyl-3-(1H-indol-3-yl)butanoic acid
Formula:	C12 H14 N2 O2
SMILES:	C[CH]([CH](N)C(O)=O)c1c[nH]c2ccccc12
InChi:	InChI=1S/C12H14N2O2/c1-7(11(13)12(15)16)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,14H,13H2,1H3,(H,15,16)/t7-,11+/m1/s1
Definition date:	2021-05-20
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)butanoic acid

VCH

VCH
Name:	(1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide
Formula:	C21 H18 F6 N2 O5 S
SMILES:	CC(=O)N1Cc2cc(ccc2[CH]1C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S](C)(=O)=O
InChi:	InChI=1S/C21H18F6N2O5S/c1-11(30)29-10-12-9-15(35(2,33)34)7-8-16(12)17(29)18(31)28-14-5-3-13(4-6-14)19(32,20(22,23)24)21(25,26)27/h3-9,17,32H,10H2,1-2H3,(H,28,31)/t17-/m1/s1
Definition date:	2021-05-05
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide

VCK

VCK
Name:	(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide
Formula:	C22 H22 F6 N2 O5 S
SMILES:	CC[S](=O)(=O)c1ccc(cc1)[CH](CC(=O)NC)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C22H22F6N2O5S/c1-3-36(34,35)16-10-4-13(5-11-16)17(12-18(31)29-2)19(32)30-15-8-6-14(7-9-15)20(33,21(23,24)25)22(26,27)28/h4-11,17,33H,3,12H2,1-2H3,(H,29,31)(H,30,32)/t17-/m1/s1
Definition date:	2021-05-05
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide

6RI

6RI
Name:	N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide
Formula:	C23 H18 F4 N2 O3
SMILES:	O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1cnc(cc1CO)C(F)(F)F
InChi:	InChI=1S/C23H18F4N2O3/c24-17-5-7-18(8-6-17)29-21(31)22(12-32-13-22)16-3-1-14(2-4-16)19-10-28-20(23(25,26)27)9-15(19)11-30/h1-10,30H,11-13H2,(H,29,31)
Definition date:	2021-08-10
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide

6ZI

6ZI
Name:	3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
Formula:	C24 H21 F N2 O2
SMILES:	O=C(Nc1ccc(F)cc1)C1(COC1)c1ccc(cc1)c1ccc(nc1)C1CC1
InChi:	InChI=1S/C24H21FN2O2/c25-20-8-10-21(11-9-20)27-23(28)24(14-29-15-24)19-6-3-16(4-7-19)18-5-12-22(26-13-18)17-1-2-17/h3-13,17H,1-2,14-15H2,(H,27,28)
Definition date:	2021-08-10
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

8G7

8G7
Name:	(2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one
Formula:	C19 H24 N2 O3
SMILES:	CN1C(=O)C2=C(O[C](C)(CCO)C[CH]2C=C(C)C)c3cccnc13
InChi:	InChI=1S/C19H24N2O3/c1-12(2)10-13-11-19(3,7-9-22)24-16-14-6-5-8-20-17(14)21(4)18(23)15(13)16/h5-6,8,10,13,22H,7,9,11H2,1-4H3/t13-,19+/m1/s1
Definition date:	2021-12-10
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2~{R},4~{S})-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one

8GO

8GO
Name:	(2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one
Formula:	C21 H28 N2 O3
SMILES:	CCN1C(=O)C2=C(O[C](C)(CCO)C[CH]2C=C(C)C)c3ccc(C)nc13
InChi:	InChI=1S/C21H28N2O3/c1-6-23-19-16(8-7-14(4)22-19)18-17(20(23)25)15(11-13(2)3)12-21(5,26-18)9-10-24/h7-8,11,15,24H,6,9-10,12H2,1-5H3/t15-,21+/m1/s1
Definition date:	2021-12-10
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2~{R},4~{S})-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one

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