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    N N H 3 C N H 3 C CH 3 CH 3 N N
    K1G
    Name:N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    Formula:C10 H15 N5
    SMILES:n1cnc2n(C)ncc2c1N(C)C(C)C
    InChi:InChI=1S/C10H15N5/c1-7(2)14(3)9-8-5-13-15(4)10(8)12-6-11-9/h5-7H,1-4H3
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    N H 3 C H 3 C N CH 3 O N S
    K1J
    Name:(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
    Formula:C9 H15 N3 O S
    SMILES:n1c(snc1C)N2C(C)C(C)OCC2
    InChi:InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
    N NH N H 3 C N S
    K1P
    Name:1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
    Formula:C8 H14 N4 S
    SMILES:n1c(snc1C)N2CCNCCC2
    InChi:InChI=1S/C8H14N4S/c1-7-10-8(13-11-7)12-5-2-3-9-4-6-12/h9H,2-6H2,1H3
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane
    N N H 3 C N H 3 C CH 3 N N
    K1S
    Name:N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
    Formula:C10 H15 N5
    SMILES:n1c(cc(n2ncnc12)N(CC)CC)C
    InChi:InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
    H 2 N N CH 3 O O
    K1V
    Name:(3R)-1-acetylpiperidine-3-carboxamide
    Formula:C8 H14 N2 O2
    SMILES:NC(C1CCCN(C1)C(C)=O)=O
    InChi:InChI=1S/C8H14N2O2/c1-6(11)10-4-2-3-7(5-10)8(9)12/h7H,2-5H2,1H3,(H2,9,12)/t7-/m1/s1
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:(3R)-1-acetylpiperidine-3-carboxamide
    H 3 C S O O N HN CH 3
    K1Y
    Name:methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
    Formula:C12 H12 N2 O2 S
    SMILES:n1c(C)sc(c1c2ccccc2)NC(OC)=O
    InChi:InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate
    N CH 3 N H H 3 C O S
    K24
    Name:N,2-dimethyl-1,3-thiazole-5-carboxamide
    Formula:C6 H8 N2 O S
    SMILES:n1cc(C(NC)=O)sc1C
    InChi:InChI=1S/C6H8N2OS/c1-4-8-3-5(10-4)6(9)7-2/h3H,1-2H3,(H,7,9)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N,2-dimethyl-1,3-thiazole-5-carboxamide
    N N CH 3 O CH 3 NH 2 Cl
    K2G
    Name:5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
    Formula:C8 H10 Cl N3 O
    SMILES:n1c(c(cnc1C(C)C)Cl)C(=O)N
    InChi:InChI=1S/C8H10ClN3O/c1-4(2)8-11-3-5(9)6(12-8)7(10)13/h3-4H,1-2H3,(H2,10,13)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
    N CH 3 N H H 3 C O N
    K2J
    Name:4-methoxy-N-methylpyrimidin-2-amine
    Formula:C6 H9 N3 O
    SMILES:n1ccc(OC)nc1NC
    InChi:InChI=1S/C6H9N3O/c1-7-6-8-4-3-5(9-6)10-2/h3-4H,1-2H3,(H,7,8,9)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:4-methoxy-N-methylpyrimidin-2-amine
    N NH 2 O N O O
    K2M
    Name:4-(furan-2-carbonyl)piperazine-1-carboxamide
    Formula:C10 H13 N3 O3
    SMILES:N2(CCN(C(=O)c1occc1)CC2)C(N)=O
    InChi:InChI=1S/C10H13N3O3/c11-10(15)13-5-3-12(4-6-13)9(14)8-2-1-7-16-8/h1-2,7H,3-6H2,(H2,11,15)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:4-(furan-2-carbonyl)piperazine-1-carboxamide
    O F F F OH O
    K2P
    Name:2-(trifluoromethoxy)benzoic acid
    Formula:C8 H5 F3 O3
    SMILES:c1ccc(c(c1)OC(F)(F)F)C(O)=O
    InChi:InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:2-(trifluoromethoxy)benzoic acid
    N H CH 3 H 3 C N CH 3 O CH 3 N O S
    K2S
    Name:N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
    Formula:C7 H13 N3 O2 S
    SMILES:n1nc(C)c(c1C)S(N(C)C)(=O)=O
    InChi:InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide
    N NH 2 H 3 C N
    K2V
    Name:(1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine
    Formula:C12 H13 N3
    SMILES:n2cc(c1ccc(cc1)C(N)C)cnc2
    InChi:InChI=1S/C12H13N3/c1-9(13)10-2-4-11(5-3-10)12-6-14-8-15-7-12/h2-9H,13H2,1H3/t9-/m1/s1
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:(1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine
    N H N CH 3 H 3 C NH 2
    K31
    Name:2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline
    Formula:C11 H13 N3
    SMILES:n2nc(c(c1ccccc1N)c2C)C
    InChi:InChI=1S/C11H13N3/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3,(H,13,14)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline
    N H N N N S
    K34
    Name:5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole
    Formula:C5 H4 N4 S
    SMILES:n1c(ncn1)c2nccs2
    InChi:InChI=1S/C5H4N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h1-3H,(H,7,8,9)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole
    NH CH 3 N H H 3 C O N
    K3A
    Name:N-(5-methyl-1H-pyrazol-3-yl)acetamide
    Formula:C6 H9 N3 O
    SMILES:n1nc(NC(C)=O)cc1C
    InChi:InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N-(5-methyl-1H-pyrazol-3-yl)acetamide
    N CH 3 HN CH 3 O N O
    K3D
    Name:4-acetyl-N-ethylpiperazine-1-carboxamide
    Formula:C9 H17 N3 O2
    SMILES:N1(CCN(CC1)C(=O)C)C(NCC)=O
    InChi:InChI=1S/C9H17N3O2/c1-3-10-9(14)12-6-4-11(5-7-12)8(2)13/h3-7H2,1-2H3,(H,10,14)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:4-acetyl-N-ethylpiperazine-1-carboxamide
    N CH 3 N H H 3 C N
    K3J
    Name:N-ethyl-6-methylpyridazin-3-amine
    Formula:C7 H11 N3
    SMILES:n1nc(NCC)ccc1C
    InChi:InChI=1S/C7H11N3/c1-3-8-7-5-4-6(2)9-10-7/h4-5H,3H2,1-2H3,(H,8,10)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N-ethyl-6-methylpyridazin-3-amine
    NH 2 CH 3 O F
    K3M
    Name:2-fluoro-4-methylbenzamide
    Formula:C8 H8 F N O
    SMILES:c1(C(=O)N)ccc(cc1F)C
    InChi:InChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:2-fluoro-4-methylbenzamide
    N N N H 3 C O N Cl
    K3P
    Name:5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine
    Formula:C8 H7 Cl N4 O
    SMILES:n1c(c(cnc1)Cl)Oc2cnn(C)c2
    InChi:InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:5-chloro-4-[(1-methyl-1H-pyrazol-4-yl)oxy]pyrimidine
    N N CH 3 N H H 3 C N
    K3S
    Name:N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine
    Formula:C6 H12 N4
    SMILES:n1(nnc(c1)CNCC)C
    InChi:InChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine
    HN N CH 3 O CH 3 O O
    K3V
    Name:7,8-dimethoxyphthalazin-1(2H)-one
    Formula:C10 H10 N2 O3
    SMILES:N1N=Cc2c(C1=O)c(c(OC)cc2)OC
    InChi:InChI=1S/C10H10N2O3/c1-14-7-4-3-6-5-11-12-10(13)8(6)9(7)15-2/h3-5H,1-2H3,(H,12,13)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:7,8-dimethoxyphthalazin-1(2H)-one
    NH 2 NH N H 3 C O N
    K3Y
    Name:1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide
    Formula:C10 H16 N4 O
    SMILES:NC(=O)c2c(C1CCCNC1)nn(C)c2
    InChi:InChI=1S/C10H16N4O/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H2,11,15)/t7-/m1/s1
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide
    N N CH 3 N H H 3 C O CH 3 N N
    K41
    Name:2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide
    Formula:C6 H11 N5 O
    SMILES:n1nn(C)nc1NC(=O)C(C)C
    InChi:InChI=1S/C6H11N5O/c1-4(2)5(12)7-6-8-10-11(3)9-6/h4H,1-3H3,(H,7,9,12)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide
    N O CH 3 O HO O CH 3 H 3 C H 3 C
    K5P
    Name:(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
    Formula:C27 H27 N O4
    SMILES:c4c(N3C(c1ccc(cc1)OC)C(c2ccccc2C3=O)C(=O)O)ccc(c4)C(C)(C)C
    InChi:InChI=1S/C27H27NO4/c1-27(2,3)18-11-13-19(14-12-18)28-24(17-9-15-20(32-4)16-10-17)23(26(30)31)21-7-5-6-8-22(21)25(28)29/h5-16,23-24H,1-4H3,(H,30,31)/t23-,24+/m0/s1
    Definition date:2018-10-31
    Last modified:2018-12-14
    Identifier:(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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