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O0V

O0V
Name:	(2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol
Formula:	C9 H13 F N2 O
SMILES:	n1c(N(C(C)CO)C)c(ccc1)F
InChi:	InChI=1S/C9H13FN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol

O1A

O1A
Name:	N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
Formula:	C13 H19 N3 O
SMILES:	N1(CCN(CC1)C)c2ccc(cc2)NC(C)=O
InChi:	InChI=1S/C13H19N3O/c1-11(17)14-12-3-5-13(6-4-12)16-9-7-15(2)8-10-16/h3-6H,7-10H2,1-2H3,(H,14,17)
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

O1M

O1M
Name:	4-(4-fluorophenyl)piperazine-1-carboxamide
Formula:	C11 H14 F N3 O
SMILES:	N2(C(N)=O)CCN(c1ccc(cc1)F)CC2
InChi:	InChI=1S/C11H14FN3O/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16)
Definition date:	2019-06-04
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	4-(4-fluorophenyl)piperazine-1-carboxamide

O2D

O2D
Name:	2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide
Formula:	C10 H16 N4 O
SMILES:	N(C(CC1CCCCC1)=O)n2cnnc2
InChi:	InChI=1S/C10H16N4O/c15-10(13-14-7-11-12-8-14)6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,13,15)
Definition date:	2019-06-05
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide

O2J

O2J
Name:	(2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine
Formula:	C11 H16 N2 O2
SMILES:	N2(c1ccccn1)CCOC(C2)COC
InChi:	InChI=1S/C11H16N2O2/c1-14-9-10-8-13(6-7-15-10)11-4-2-3-5-12-11/h2-5,10H,6-9H2,1H3/t10-/m1/s1
Definition date:	2019-06-05
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine

O2M

O2M
Name:	N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
Formula:	C9 H10 N4 O S
SMILES:	N(Cc1nc(C)cs1)C(=O)c2nncc2
InChi:	InChI=1S/C9H10N4OS/c1-6-5-15-8(12-6)4-10-9(14)7-2-3-11-13-7/h2-3,5H,4H2,1H3,(H,10,14)(H,11,13)
Definition date:	2019-06-05
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide

O2P

O2P
Name:	N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
Formula:	C15 H15 N O2
SMILES:	N(c1ccc(cc1O)C)C(=O)c2ccccc2C
InChi:	InChI=1S/C15H15NO2/c1-10-7-8-13(14(17)9-10)16-15(18)12-6-4-3-5-11(12)2/h3-9,17H,1-2H3,(H,16,18)
Definition date:	2019-06-05
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide

O3A

O3A
Name:	(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide
Formula:	C12 H16 N2 O
SMILES:	N(C(C1CCNC1)=O)(c2ccccc2)C
InChi:	InChI=1S/C12H16N2O/c1-14(11-5-3-2-4-6-11)12(15)10-7-8-13-9-10/h2-6,10,13H,7-9H2,1H3/t10-/m0/s1
Definition date:	2019-06-06
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide

O3J

O3J
Name:	1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one
Formula:	C15 H22 N2 O
SMILES:	N2(CCCc1ccccc1)CCN(C(C)=O)CC2
InChi:	InChI=1S/C15H22N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3
Definition date:	2019-06-06
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one

O3M

O3M
Name:	4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol
Formula:	C16 H17 N O
SMILES:	C(N1CCc2c(C1)cccc2)c3ccc(cc3)O
InChi:	InChI=1S/C16H17NO/c18-16-7-5-13(6-8-16)11-17-10-9-14-3-1-2-4-15(14)12-17/h1-8,18H,9-12H2
Definition date:	2019-06-06
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol

T90

T90
Name:	1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone
Formula:	C20 H21 N3 O2 S
SMILES:	COc1ccc(cc1CSc2nnc(C)n2Cc3ccccc3)C(C)=O
InChi:	InChI=1S/C20H21N3O2S/c1-14(24)17-9-10-19(25-3)18(11-17)13-26-20-22-21-15(2)23(20)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3
Definition date:	2016-06-08
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone

B5O

B5O
Name:	(6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one
Formula:	C22 H20 F3 N3 O2
SMILES:	CC(C)[CH]1CC(=O)c2nnn(c3cc(F)c(c(F)c3)c4cc(CO)ccc4F)c2C1
InChi:	InChI=1S/C22H20F3N3O2/c1-11(2)13-6-19-22(20(30)7-13)26-27-28(19)14-8-17(24)21(18(25)9-14)15-5-12(10-29)3-4-16(15)23/h3-5,8-9,11,13,29H,6-7,10H2,1-2H3/t13-/m1/s1
Definition date:	2019-01-17
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(6~{R})-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5~{H}-benzotriazol-4-one

B5X

B5X
Name:	(6R)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one
Formula:	C23 H24 F2 N4 O
SMILES:	CC(C)[CH]1CC(=O)c2nnn(c3cc(F)c(c(F)c3)c4cccc(c4)N(C)C)c2C1
InChi:	InChI=1S/C23H24F2N4O/c1-13(2)15-9-20-23(21(30)10-15)26-27-29(20)17-11-18(24)22(19(25)12-17)14-6-5-7-16(8-14)28(3)4/h5-8,11-13,15H,9-10H2,1-4H3/t15-/m1/s1
Definition date:	2019-01-17
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(6~{R})-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5~{H}-benzotriazol-4-one

JJT

JJT
Name:	(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid
Formula:	C12 H20 N4 O3
SMILES:	OC(=O)N1CC(=N)CC[CH]1C(=O)NC2CCNCC2
InChi:	InChI=1S/C12H20N4O3/c13-8-1-2-10(16(7-8)12(18)19)11(17)15-9-3-5-14-6-4-9/h9-10,13-14H,1-7H2,(H,15,17)(H,18,19)/t10-/m0/s1
Definition date:	2019-03-06
Last modified:	2019-08-16
Release date:	2019-08-21
Identifier:	(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid

G1Z

G1Z
Name:	8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one
Formula:	C14 H14 F3 N3 O2 S
SMILES:	ONc1cc(cc2C(=O)N=C(Sc12)N3CCCCC3)C(F)(F)F
InChi:	InChI=1S/C14H14F3N3O2S/c15-14(16,17)8-6-9-11(10(7-8)19-22)23-13(18-12(9)21)20-4-2-1-3-5-20/h6-7,19,22H,1-5H2
Definition date:	2018-08-22
Last modified:	2019-08-13
Release date:	2018-09-19
Identifier:	8-(oxidanylamino)-2-piperidin-1-yl-6-(trifluoromethyl)-1,3-benzothiazin-4-one

LRB

LRB
Name:	LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II)
Formula:	C50 H57 N7 O Ru
SMILES:	O=C(NC3C1CC2CC(C1)CC3C2)CCCCCCCCc%12cc%11c4n(ccc(c4)C)[Ru+2]7%10(n5ccccc5c6ccccn67)(n8ccccc8c9ccccn9%10)n%11cc%12
InChi:	InChI=1S/C30H41N3O.2C10H8N2.Ru/c1-21-10-12-31-27(14-21)28-20-22(11-13-32-28)8-6-4-2-3-5-7-9-29(34)33-30-25-16-23-15-24(18-25)19-26(30)17-23
Definition date:	1999-10-06
Last modified:	2019-08-13
Identifier:	bis[1H,1'H-2,2'-bipyridinato(2-)-kappa~2~N~1~,N~1'~][9-(4'-methyl-1H,1'H-2,2'-bipyridin-4-yl-kappa~2~N~1~,N~1'~)-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]nonanamidato(2-)]ruthenium(2+)

L8W

L8W
Name:	(+)-JD1
Formula:	C29 H17 Cl Fe N5 O S
SMILES:	[Fe].Cc1sc2n3c(C)nnc3[CH](CC(=O)NC4C=CC=C4)N=C(c5ccc(Cl)cc5)c2c1C.C6C=CC=C6
InChi:	InChI=1S/C24H17ClN5OS.C5H.Fe/c1-13-14(2)32-24-21(13)22(16-8-10-17(25)11-9-16)27-19(23-29-28-15(3)30(23)24)12-20(31)26-18-6-4-5-7-18
Definition date:	2019-07-30
Last modified:	2019-08-09
Release date:	2019-08-14

KAZ

KAZ
Name:	2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
Formula:	C27 H29 N3 O3
SMILES:	CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(O)=O
InChi:	InChI=1S/C27H29N3O3/c1-29-13-15-30(16-14-29)19-20-9-11-21(12-10-20)22-6-4-7-24(17-22)27(33)28-25-8-3-2-5-23(25)18-26(31)32/h2-12,17H,13-16,18-19H2,1H3,(H,28,33)(H,31,32)
Definition date:	2019-05-08
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid

KJY

KJY
Name:	2,4-dihydroxy-3,6-dimethylbenzaldehyde
Formula:	C9 H10 O3
SMILES:	Cc1cc(c(c(O)c1C=O)C)O
InChi:	InChI=1S/C9H10O3/c1-5-3-8(11)6(2)9(12)7(5)4-10/h3-4,11-12H,1-2H3
Definition date:	2018-12-19
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	2,4-dihydroxy-3,6-dimethylbenzaldehyde

FW2

FW2
Name:	L-2-keto-3deoxy-gluconate
Formula:	C6 H10 O6
SMILES:	OC[CH](O)[CH](O)CC(=O)C(O)=O
InChi:	InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m1/s1
Definition date:	2018-08-01
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	(4~{R},5~{S})-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid

FWK

FWK
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol
Formula:	C11 H15 N5 O3
SMILES:	CC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C11H15N5O3/c1-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
Definition date:	2018-08-04
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol

KYJ

KYJ
Name:	(2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
Formula:	C26 H20 N4 O4
SMILES:	NC(=O)c1cccc2c1OC(C2=O)=[C@H]c5ccc(C(=O)NCCc4nc3c(cccc3)n4)cc5
InChi:	InChI=1S/C26H20N4O4/c27-25(32)18-5-3-4-17-23(31)21(34-24(17)18)14-15-8-10-16(11-9-15)26(33)28-13-12-22-29-19-6-1-2-7-20(19)30-22/h1-11,14H,12-13H2,(H2,27,32)(H,28,33)(H,29,30)/b21-14-
Definition date:	2019-01-24
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	(2Z)-2-[(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide

KYM

KYM
Name:	(2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
Formula:	C25 H21 N5 O4
SMILES:	O=C(c1ccc(cc1)C=C2/Oc3c(cccc3C2=O)C(=O)N)N6Cc5nnc(C4CC4)n5CC6
InChi:	InChI=1S/C25H21N5O4/c26-23(32)18-3-1-2-17-21(31)19(34-22(17)18)12-14-4-6-16(7-5-14)25(33)29-10-11-30-20(13-29)27-28-24(30)15-8-9-15/h1-7,12,15H,8-11,13H2,(H2,26,32)/b19-12-
Definition date:	2019-01-24
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	(2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide

KYP

KYP
Name:	3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide
Formula:	C25 H23 N5 O4
SMILES:	O=C(c1ccc(cc1)Cc2oc3c(cccc3c2O)C(=O)N)N4CCN(CC4)c5ncccn5
InChi:	InChI=1S/C25H23N5O4/c26-23(32)19-4-1-3-18-21(31)20(34-22(18)19)15-16-5-7-17(8-6-16)24(33)29-11-13-30(14-12-29)25-27-9-2-10-28-25/h1-10,31H,11-15H2,(H2,26,32)
Definition date:	2019-01-24
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide

KYV

KYV
Name:	2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide
Formula:	C28 H25 N5 O4
SMILES:	N3(CCN(c1nc2c(n1)cccc2)CC3)C(c6ccc(Cc5c(O)c4cccc(C(=O)N)c4o5)cc6)=O
InChi:	InChI=1S/C28H25N5O4/c29-26(35)20-5-3-4-19-24(34)23(37-25(19)20)16-17-8-10-18(11-9-17)27(36)32-12-14-33(15-13-32)28-30-21-6-1-2-7-22(21)31-28/h1-11,34H,12-16H2,(H2,29,35)(H,30,31)
Definition date:	2019-01-24
Last modified:	2019-08-09
Release date:	2019-08-14
Identifier:	2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide

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