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    NH CH 3 O O HO
    GOV
    Name:(2~{S})-1-(1,3-benzodioxol-5-ylmethylamino)propan-2-ol
    Formula:C11 H15 N O3
    SMILES:C[CH](O)CNCc1ccc2[oH]coc2c1
    InChi:InChI=1S/C11H15NO3/c1-8(13)5-12-6-9-2-3-10-11(4-9)15-7-14-10/h2-4,7-8,12-14H,5-6H2,1H3/t8-/m0/s1
    Definition date:2018-05-31
    Last modified:2018-12-14
    Identifier:(2~{S})-1-(1,3-benzodioxol-5-ylmethylamino)propan-2-ol
    N N O
    GOY
    Name:di(piperidin-1-yl)methanone
    Formula:C11 H20 N2 O
    SMILES:O=C(N1CCCCC1)N2CCCCC2
    InChi:InChI=1S/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2
    Definition date:2018-05-31
    Last modified:2018-12-14
    Identifier:di(piperidin-1-yl)methanone
    H 2 N O OH
    GQ7
    Name:[5-(4-aminophenyl)furan-2-yl]methanol
    Formula:C11 H11 N O2
    SMILES:Nc1ccc(cc1)c2oc(CO)cc2
    InChi:InChI=1S/C11H11NO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7,12H2
    Definition date:2018-05-31
    Last modified:2018-12-14
    Identifier:[5-(4-aminophenyl)furan-2-yl]methanol
    N CH 3 S HO
    GQA
    Name:1-methyl-3-oxidanyl-pyridine-2-thione
    Formula:C6 H7 N O S
    SMILES:CN1C=CC=C(O)C1=S
    InChi:InChI=1S/C6H7NOS/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3
    Definition date:2018-05-31
    Last modified:2018-12-14
    Identifier:1-methyl-3-oxidanyl-pyridine-2-thione
    O O O HO O N H 3 C
    GQJ
    Name:methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
    Formula:C11 H13 N O5
    SMILES:COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2
    InChi:InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8+/m1/s1
    Definition date:2018-05-31
    Last modified:2018-12-14
    Identifier:methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
    N H H 3 C N O OH
    GQM
    Name:5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol
    Formula:C10 H10 N2 O2
    SMILES:COc1ccc(c(O)c1)c2cc[nH]n2
    InChi:InChI=1S/C10H10N2O2/c1-14-7-2-3-8(10(13)6-7)9-4-5-11-12-9/h2-6,13H,1H3,(H,11,12)
    Definition date:2018-05-31
    Last modified:2018-12-14
    Identifier:5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol
    N N H CH 3 F N S
    GQS
    Name:N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
    Formula:C9 H8 F N3 S
    SMILES:n2nc(Nc1cccc(c1)F)sc2C
    InChi:InChI=1S/C9H8FN3S/c1-6-12-13-9(14-6)11-8-4-2-3-7(10)5-8/h2-5H,1H3,(H,11,13)
    Definition date:2018-05-31
    Last modified:2018-12-14
    Identifier:N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
    O N CH 3 OH
    GQV
    Name:1-methyl-3-oxidanyl-pyridin-2-one
    Formula:C6 H7 N O2
    SMILES:CN1C=CC=C(O)C1=O
    InChi:InChI=1S/C6H7NO2/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3
    Definition date:2018-05-31
    Last modified:2018-12-14
    Identifier:1-methyl-3-oxidanyl-pyridin-2-one
    O F Cl N H O N N Cl
    H28
    Name:(3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione
    Formula:C23 H18 Cl2 F N3 O2
    SMILES:Fc1c(Cl)cccc1[CH]2[CH]3[CH](C=NC3=O)N(CC4CC4)[C]25C(=O)Nc6cc(Cl)ccc56
    InChi:InChI=1S/C23H18Cl2FN3O2/c24-12-6-7-14-16(8-12)28-22(31)23(14)19(13-2-1-3-15(25)20(13)26)18-17(9-27-21(18)30)29(23)10-11-4-5-11/h1-3,6-9,11,17-19H,4-5,10H2,(H,28,31)/t17-,18+,19-,23+/m0/s1
    Definition date:2018-11-07
    Last modified:2018-12-14
    Identifier:(3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione
    HO N N N Cl CH 3 H 3 C
    HJG
    Name:2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
    Formula:C18 H18 Cl N3 O
    SMILES:c4cc(C3(c2n1cccc(C(C)(C)O)c1nn2)CC3)ccc4Cl
    InChi:InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3
    Definition date:2018-07-05
    Last modified:2018-12-14
    Identifier:2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
    N NH 2 Cl NH 2 NH 2 N O N N
    HMX
    Name:3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide
    Formula:C12 H18 Cl N7 O
    SMILES:NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2
    InChi:InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
    Synonyms:HMA
    Definition date:2018-02-15
    Last modified:2018-12-14
    Identifier:3-azanyl-5-(azepan-1-yl)-~{N}-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide
    N N H CH 3 CH 2 O O CH 3 HO O HO N H H 3 C O NH H 3 C H 2 C
    JRA
    Name:3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
    Formula:C33 H36 N4 O6
    SMILES:C[CH]1[CH](C=C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
    InChi:InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19-20,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-/t19-,20+/m1/s1
    Definition date:2018-09-18
    Last modified:2018-12-14
    Identifier:3-[2-[(~{Z})-[5-[(~{Z})-[(3~{S},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
    N N H CH 3 O N O S
    K04
    Name:(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)
    Formula:C8 H11 N3 O2 S
    SMILES:n2cc(NC(C1OCCC1C)=O)sn2
    InChi:InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7-/m0/s1
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)
    N N CH 3 O N Cl
    K07
    Name:5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine
    Formula:C10 H14 Cl N3 O
    SMILES:n2c(N(CC1COCC1)C)c(cnc2)Cl
    InChi:InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m1/s1
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine
    N N H 3 C O H 3 C S
    K0A
    Name:(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone
    Formula:C10 H14 N2 O S
    SMILES:N1(CCCC1)C(=O)c2c(sc(n2)C)C
    InChi:InChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone
    N CH 3 N CH 3 O N O S
    K0D
    Name:[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone
    Formula:C9 H13 N3 O2 S
    SMILES:n2cc(C(N1C(C)COC(C)C1)=O)ns2
    InChi:InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone
    NH N H O N
    K0G
    Name:N-phenyl-N'-pyridin-3-ylurea
    Formula:C12 H11 N3 O
    SMILES:N(c1cccnc1)C(Nc2ccccc2)=O
    InChi:InChI=1S/C12H11N3O/c16-12(14-10-5-2-1-3-6-10)15-11-7-4-8-13-9-11/h1-9H,(H2,14,15,16)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N-phenyl-N'-pyridin-3-ylurea
    NH N N H H 3 C O N
    K0J
    Name:N-ethyl-1H-1,2,3-triazole-4-carboxamide
    Formula:C5 H8 N4 O
    SMILES:n1nnc(c1)C(NCC)=O
    InChi:InChI=1S/C5H8N4O/c1-2-6-5(10)4-3-7-9-8-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N-ethyl-1H-1,2,3-triazole-4-carboxamide
    N H N CH 3 N H 3 C O N O
    K0M
    Name:3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
    Formula:C9 H10 N4 O2
    SMILES:N(c1nn(cc1)C)C(c2onc(C)c2)=O
    InChi:InChI=1S/C9H10N4O2/c1-6-5-7(15-12-6)9(14)10-8-3-4-13(2)11-8/h3-5H,1-2H3,(H,10,11,14)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide
    N N O CH 3 N H N
    K0P
    Name:N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
    Formula:C12 H14 N4 O
    SMILES:N(Cc1cnn(c1)CC)C(c2cnccc2)=O
    InChi:InChI=1S/C12H14N4O/c1-2-16-9-10(7-15-16)6-14-12(17)11-4-3-5-13-8-11/h3-5,7-9H,2,6H2,1H3,(H,14,17)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
    N S NH O CH 3 N N
    K0S
    Name:N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
    Formula:C11 H12 N4 O S
    SMILES:n1nc(CCC)sc1NC(c2ncccc2)=O
    InChi:InChI=1S/C11H12N4OS/c1-2-5-9-14-15-11(17-9)13-10(16)8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,13,15,16)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
    H 3 C O O CH 3 CH 3 O HN N H 3 C
    K0V
    Name:methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
    Formula:C12 H22 N2 O3
    SMILES:N(C(C)(C)C)C(=O)N1CCC(CC1)C(OC)=O
    InChi:InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
    N CH 3 N H H 3 C O O O O
    K0Y
    Name:methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
    Formula:C8 H10 N2 O4
    SMILES:n1c(C(NCC(OC)=O)=O)cc(C)o1
    InChi:InChI=1S/C8H10N2O4/c1-5-3-6(10-14-5)8(12)9-4-7(11)13-2/h3H,4H2,1-2H3,(H,9,12)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
    N CH 3 H 3 C N H 3 C O N O S
    K1A
    Name:3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one
    Formula:C9 H11 N3 O2 S
    SMILES:N1(C(SC(=N1)C)=O)Cc2c(C)noc2C
    InChi:InChI=1S/C9H11N3O2S/c1-5-8(6(2)14-11-5)4-12-9(13)15-7(3)10-12/h4H2,1-3H3
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one
    N NH N N N
    K1D
    Name:6-(azetidin-1-yl)-9H-purine
    Formula:C8 H9 N5
    SMILES:n2cnc1ncnc1c2N3CCC3
    InChi:InChI=1S/C8H9N5/c1-2-13(3-1)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H2,(H,9,10,11,12)
    Definition date:2018-10-25
    Last modified:2018-12-14
    Identifier:6-(azetidin-1-yl)-9H-purine
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