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    N N NH H 2 N N O NH NH 2 O
    EAU
    Name:3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide
    Formula:C16 H21 N7 O2
    SMILES:NC(=N)NC(=O)c1nc(c2occc2)c(nc1N)N3CCCCCC3
    InChi:InChI=1S/C16H21N7O2/c17-13-12(15(24)22-16(18)19)20-11(10-6-5-9-25-10)14(21-13)23-7-3-1-2-4-8-23/h5-6,9H,1-4,7-8H2,(H2,17,21)(H4,18,19,22,24)
    Definition date:2018-02-15
    Last modified:2018-12-14
    Identifier:3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide
    Fe 2+ Ni N N O _ H
    EJ2
    Name:NI-FE REDUCED ACTIVE CENTER
    Formula:C3 H Fe N2 Ni O
    SMILES:[Ni][H+][Fe](C#N)(C#N)C#[O+]
    InChi:InChI=1S/2CN.CO.Fe.Ni/c3*1-2
    Definition date:2018-03-23
    Last modified:2018-12-14
    Identifier:(dicyano(oxidaniumylidynemethyl)ferrio)-nickelio-hydrogen(1+)
    O N N F F CH 3
    ELQ
    Name:[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
    Formula:C12 H14 F2 N2 O
    SMILES:CN1CCN(CC1)C(=O)c2ccc(F)c(F)c2
    InChi:InChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3
    Definition date:2018-03-27
    Last modified:2018-12-14
    Identifier:[3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone
    HN F F N N N N H N N CH 3 H 3 C N
    F97
    Name:N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
    Formula:C21 H26 F2 N8
    SMILES:c21cc(ncc1cnn2C(C)C)Nc4cc(nc(N3CCC(C3)(F)F)n4)C5CCNC5
    InChi:InChI=1S/C21H26F2N8/c1-13(2)31-17-8-18(25-10-15(17)11-26-31)28-19-7-16(14-3-5-24-9-14)27-20(29-19)30-6-4-21(22,23)12-30/h7-8,10-11,13-14,24H,3-6,9,12H2,1-2H3,(H,25,27,28,29)/t14-/m1/s1
    Definition date:2018-03-16
    Last modified:2018-12-14
    Identifier:N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
    NH 2 N O O O S
    FKE
    Name:4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide
    Formula:C18 H20 N2 O3 S
    SMILES:N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3ccccc3
    InChi:InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23)
    Definition date:2018-07-17
    Last modified:2018-12-14
    Identifier:4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide
    NH 2 F O S O N O N
    FKK
    Name:4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
    Formula:C18 H20 F N3 O3 S
    SMILES:N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)Cc3ccc(F)cc3
    InChi:InChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25)
    Definition date:2018-07-17
    Last modified:2018-12-14
    Identifier:4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
    NH 2 HO N O O O S
    FKQ
    Name:4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide
    Formula:C18 H20 N2 O4 S
    SMILES:N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(O)(CC2)c3ccccc3
    InChi:InChI=1S/C18H20N2O4S/c19-25(23,24)16-8-6-14(7-9-16)17(21)20-12-10-18(22,11-13-20)15-4-2-1-3-5-15/h1-9,22H,10-13H2,(H2,19,23,24)
    Definition date:2018-07-18
    Last modified:2018-12-14
    Identifier:4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide
    CH 3 H 2 C CH 3 N N
    FWH
    Name:9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
    Formula:C25 H20 N2
    SMILES:Cn1c2ccccc2c3cc(ccc13)C(=C)c4cc(C)nc5ccccc45
    InChi:InChI=1S/C25H20N2/c1-16-14-21(19-8-4-6-10-23(19)26-16)17(2)18-12-13-25-22(15-18)20-9-5-7-11-24(20)27(25)3/h4-15H,2H2,1,3H3
    Definition date:2018-08-03
    Last modified:2018-12-14
    Identifier:9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
    O N HN N N OH OH O O HO O O O P P P CH 3 O O HO HO O NH 2
    G5J
    Name:5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
    Formula:C11 H18 N5 O14 P3
    SMILES:C3(=NC(c2c(n(C1OC(C(O)C1O)COP(O)(=O)OP(O)(=O)OP(=O)(O)OC)cn2)N3)=O)N
    InChi:InChI=1S/C11H18N5O14P3/c1-26-31(20,21)29-33(24,25)30-32(22,23)27-2-4-6(17)7(18)10(28-4)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
    Definition date:2018-05-07
    Last modified:2018-12-14
    Identifier:5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
    N H N H 3 C O O
    GOJ
    Name:ethyl 1~{H}-pyrazole-4-carboxylate
    Formula:C6 H8 N2 O2
    SMILES:CCOC(=O)c1c[nH]nc1
    InChi:InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
    Definition date:2018-05-31
    Last modified:2018-12-14
    Identifier:ethyl 1~{H}-pyrazole-4-carboxylate
    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
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