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T7G

T7G
Name:	1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
Formula:	C14 H18 N2 O3
SMILES:	N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O
InChi:	InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide

T7J

T7J
Name:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide
Formula:	C13 H15 N O3 S
SMILES:	C=1S(CC(C=1)N(c2ccc(C)cc2)C(=O)C)(=O)=O
InChi:	InChI=1S/C13H15NO3S/c1-10-3-5-12(6-4-10)14(11(2)15)13-7-8-18(16,17)9-13/h3-8,13H,9H2,1-2H3/t13-/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide

T7P

T7P
Name:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide
Formula:	C12 H12 F N O3 S
SMILES:	C1(C=CS(C1)(=O)=O)N(C(C)=O)c2ccc(F)cc2
InChi:	InChI=1S/C12H12FNO3S/c1-9(15)14(11-4-2-10(13)3-5-11)12-6-7-18(16,17)8-12/h2-7,12H,8H2,1H3/t12-/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide

T7S

T7S
Name:	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one
Formula:	C13 H22 N2 O2
SMILES:	N1(CCCCC1)C(C2CCN(CC2)C(C)=O)=O
InChi:	InChI=1S/C13H22N2O2/c1-11(16)14-9-5-12(6-10-14)13(17)15-7-3-2-4-8-15/h12H,2-10H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one

T7V

T7V
Name:	N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
Formula:	C10 H12 Cl N O
SMILES:	c1cc(Cl)cc(C(C)NC(=O)C)c1
InChi:	InChI=1S/C10H12ClNO/c1-7(12-8(2)13)9-4-3-5-10(11)6-9/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide

T7Y

T7Y
Name:	N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
Formula:	C12 H14 N2 O2
SMILES:	N2(c1cccc(c1)NC(C)=O)CCCC2=O
InChi:	InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

T8A

T8A
Name:	1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Formula:	C17 H17 N O
SMILES:	c2cc3C(c1ccccc1)CN(C(C)=O)Cc3cc2
InChi:	InChI=1S/C17H17NO/c1-13(19)18-11-15-9-5-6-10-16(15)17(12-18)14-7-3-2-4-8-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one

T8D

T8D
Name:	1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C10 H13 Cl N2 O3 S2
SMILES:	N1(CCN(CC1)C(C)=O)S(c2ccc(s2)Cl)(=O)=O
InChi:	InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one

T8J

T8J
Name:	1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one
Formula:	C11 H14 N2 O2 S
SMILES:	N1(CCN(CC1)C(C)=O)C(c2cccs2)=O
InChi:	InChI=1S/C11H14N2O2S/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one

T8P

T8P
Name:	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Formula:	C13 H18 N2 O2
SMILES:	N2(CCN(c1ccc(cc1)OC)CC2)C(=O)C
InChi:	InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one

T8S

T8S
Name:	1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide
Formula:	C12 H22 N2 O2
SMILES:	N1(CCC(C(N(C(C)C)C)=O)CC1)C(=O)C
InChi:	InChI=1S/C12H22N2O2/c1-9(2)13(4)12(16)11-5-7-14(8-6-11)10(3)15/h9,11H,5-8H2,1-4H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide

T8V

T8V
Name:	N-(2-chloropyridin-3-yl)acetamide
Formula:	C7 H7 Cl N2 O
SMILES:	n1cccc(c1Cl)NC(C)=O
InChi:	InChI=1S/C7H7ClN2O/c1-5(11)10-6-3-2-4-9-7(6)8/h2-4H,1H3,(H,10,11)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(2-chloropyridin-3-yl)acetamide

T8Y

T8Y
Name:	1,1'-(piperazine-1,4-diyl)di(ethan-1-one)
Formula:	C8 H14 N2 O2
SMILES:	N1(CCN(CC1)C(C)=O)C(=O)C
InChi:	InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1,1'-(piperazine-1,4-diyl)di(ethan-1-one)

X77

X77
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
Formula:	C27 H33 N5 O2
SMILES:	C(=O)(N(C(c1cccnc1)C(NC2CCCCC2)=O)c3ccc(C(C)(C)C)cc3)c4cncn4
InChi:	InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide

NWT

NWT
Name:	N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide
Formula:	C39 H52 F2 N6 O8
SMILES:	CCCCC=CC(=O)N[CH](Cc1cc(F)cc(F)c1)C(=O)N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C)NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O
InChi:	InChI=1S/C39H52F2N6O8/c1-4-5-6-7-13-33(48)43-28(19-25-17-26(40)20-27(41)18-25)34(49)44-29-22-55-39(54)32-16-23(2)21-47(32)36(51)24(3)42-35(50)30-11-8-9-14-45(30)38(53)31-12-10-15-46(31)37(29)52/h7,13,17-18,20,23-24,28-32H,4-6,8-12,14-16,19,21-22H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/t23-,24+,28+,29+,30+,31+,32+/m1/s1
Definition date:	2020-01-06
Last modified:	2020-03-20
Release date:	2020-03-25

Y35

Y35
Name:	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)
Formula:	C44 H46 B N4 O5
SMILES:	O=C(N2CCC(c1cc(ccc1)CN)CC2)c3cccc(c3)c4cc(ccc4)[B-]5(Oc6c(O5)cc(cc6)C(=O)N7CCC(CC7)c8cc(ccc8)CN)O
InChi:	InChI=1S/C44H46BN4O5/c46-28-30-5-1-7-34(23-30)32-15-19-48(20-16-32)43(50)38-11-3-9-36(25-38)37-10-4-12-40(26-37)45(52)53-41-14-13-39(27-42(41)54-45)44(51)49-21-17-33(18-22-49)35-8-2-6-31(24-35)29-47/h1-14,23-27,32-33,52H,15-22,28-29,46-47H2/q-1/t45-/m1/s1
Definition date:	2019-05-20
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)

HYO

HYO
Name:	[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Formula:	C17 H23 N O3
SMILES:	CN1[CH]2CC[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3
InChi:	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1
Definition date:	2020-01-02
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	[(1~{R},5~{S})-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2~{S})-3-oxidanyl-2-phenyl-propanoate

R0D

R0D
Name:	(5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone
Formula:	C21 H19 Cl N2 O3
SMILES:	C3CC2(c1cc(Cl)ccc1N=C2)CCN3C(C5COc4ccccc4O5)=O
InChi:	InChI=1S/C21H19ClN2O3/c22-14-5-6-16-15(11-14)21(13-23-16)7-9-24(10-8-21)20(25)19-12-26-17-3-1-2-4-18(17)27-19/h1-6,11,13,19H,7-10,12H2/t19-/m1/s1
Definition date:	2020-01-21
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	(5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone

R0G

R0G
Name:	4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile
Formula:	C21 H23 N3 O
SMILES:	c21c(cccc1)C(C(C2)N3CCCC(C3)N)Oc4ccc(cc4)C#N
InChi:	InChI=1S/C21H23N3O/c22-13-15-7-9-18(10-8-15)25-21-19-6-2-1-4-16(19)12-20(21)24-11-3-5-17(23)14-24/h1-2,4,6-10,17,20-21H,3,5,11-12,14,23H2/t17-,20-,21-/m1/s1
Definition date:	2020-01-21
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile

R0M

R0M
Name:	(2E,4E)-hepta-2,4-dienoic acid
Formula:	C7 H10 O2
SMILES:	[C@H](C=CCC)=[C@H]C(=O)O
InChi:	InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h3-6H,2H2,1H3,(H,8,9)/b4-3+,6-5+
Definition date:	2020-01-21
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	(2E,4E)-hepta-2,4-dienoic acid

Q5A

Q5A
Name:	N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
Formula:	C19 H23 F N4 O2 S
SMILES:	Cc1nc(sc1)NC(C2CCN(CC2)C(N(C)Cc3ccc(cc3)F)=O)=O
InChi:	InChI=1S/C19H23FN4O2S/c1-13-12-27-18(21-13)22-17(25)15-7-9-24(10-8-15)19(26)23(2)11-14-3-5-16(20)6-4-14/h3-6,12,15H,7-11H2,1-2H3,(H,21,22,25)
Definition date:	2019-09-23
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

RL4

RL4
Name:	(5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
Formula:	C29 H33 N O2
SMILES:	CC1CCCN1CCOc2ccc(cc2)C4c3ccc(O)cc3CCC4c5ccccc5
InChi:	InChI=1S/C29H33NO2/c1-21-6-5-17-30(21)18-19-32-26-13-9-23(10-14-26)29-27(22-7-3-2-4-8-22)15-11-24-20-25(31)12-16-28(24)29/h2-4,7-10,12-14,16,20-21,27,29,31H,5-6,11,15,17-19H2,1H3/t21-,27-,29+/m1/s1
Definition date:	2020-02-13
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	(5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

M36

M36
Name:	7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid
Formula:	C31 H36 O8
SMILES:	COc1c(CC=C(C)C)c2C(=O)c3c(O)c4C=CC(C)(C)Oc4cc3Oc2cc1OCCCCCCC(O)=O
InChi:	InChI=1S/C31H36O8/c1-18(2)11-12-20-26-22(17-24(30(20)36-5)37-15-9-7-6-8-10-25(32)33)38-23-16-21-19(13-14-31(3,4)39-21)28(34)27(23)29(26)35/h11,13-14,16-17,34H,6-10,12,15H2,1-5H3,(H,32,33)
Definition date:	2019-07-26
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid

M6O

M6O
Name:	lauric acid functionalized hexamolybdoaluminate
Formula:	C16 H30 Al Mo6 N O25
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O.CCCCCCCCCCCC(=O)N[C]12C[O]34[Mo]5O[Mo]36O[Mo]7O[Mo]89O[Mo]%10(O8)O[Mo]%11(O5)O[Al]4(O6)([O]79C1)[O]%10%11C2
InChi:	InChI=1S/C16H30NO4.Al.6Mo.12H2O.9O/c1-2-3-4-5-6-7-8-9-10-11-15(21)17-16(12-18,13-19)14-20
Definition date:	2020-01-23
Last modified:	2020-03-13
Release date:	2020-03-18

LJN

LJN
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H17 N4 O8 P
SMILES:	CC(=O)NCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C10H17N4O8P/c1-5(15)11-2-6-3-14(13-12-6)10-9(17)8(16)7(22-10)4-21-23(18,19)20/h3,7-10,16-17H,2,4H2,1H3,(H,11,15)(H2,18,19,20)/t7-,8-,9-,10-/m1/s1
Definition date:	2019-08-20
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

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