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    S OH HO O O NH + N N N H H 2 N N N NH 2 N N
    DTW
    Name:[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
    Formula:C14 H21 N10 O4 S
    SMILES:NNC(=O)CCCSc1nc2c(N)ncnc2n1[CH]3O[CH](CN=[N+]=N)[CH](O)[CH]3O
    InChi:InChI=1S/C14H20N10O4S/c15-11-8-12(19-5-18-11)24(14(21-8)29-3-1-2-7(25)22-16)13-10(27)9(26)6(28-13)4-20-23-17/h5-6,9-10,13,16,26-27H,1-4H2,(H4,15,17,18,19,20)/p+1/t6-,9-,10-,13-/m1/s1
    Definition date:2018-01-29
    Last modified:2019-02-01
    Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-(4-diazanyl-4-oxidanylidene-butyl)sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azanium
    O N N N O CH 3 NH
    F6E
    Name:(6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
    Formula:C25 H28 N4 O2
    SMILES:CCCN1CCN(C[CH](Cc2ccc(cc2)c3ccccc3)C1=O)C(=O)c4c[nH]cn4
    InChi:InChI=1S/C25H28N4O2/c1-2-12-28-13-14-29(25(31)23-16-26-18-27-23)17-22(24(28)30)15-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,16,18,22H,2,12-15,17H2,1H3,(H,26,27)/t22-/m0/s1
    Definition date:2018-06-01
    Last modified:2019-02-01
    Identifier:(6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
    CH 3 H 3 C CH 3 + NH N H CH 3 O O
    F8K
    Name:[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    Formula:C23 H27 N2 O2
    SMILES:COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2
    InChi:InChI=1S/C23H26N2O2/c1-25(2)16-17-8-11-20(12-9-17)24-22-13-10-19(15-23(22)27-4)18-6-5-7-21(14-18)26-3/h5-15,24H,16H2,1-4H3/p+1
    Definition date:2018-06-08
    Last modified:2019-02-01
    Identifier:[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    CH 3 O O N HN O N
    F8N
    Name:~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
    Formula:C26 H31 N3 O3
    SMILES:COc1cccc(c1)c2cccc(CC3(CCOCC3)C(=O)NCCCn4ccnc4)c2
    InChi:InChI=1S/C26H31N3O3/c1-31-24-8-3-7-23(18-24)22-6-2-5-21(17-22)19-26(9-15-32-16-10-26)25(30)28-11-4-13-29-14-12-27-20-29/h2-3,5-8,12,14,17-18,20H,4,9-11,13,15-16,19H2,1H3,(H,28,30)
    Definition date:2018-06-08
    Last modified:2019-02-01
    Identifier:~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
    CH 3 H 3 C + NH N H F H 3 C O CH 3 O
    F8Q
    Name:[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    Formula:C23 H26 F N2 O2
    SMILES:COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)c(OC)c2F
    InChi:InChI=1S/C23H25FN2O2/c1-26(2)15-16-8-10-18(11-9-16)25-21-13-12-20(22(24)23(21)28-4)17-6-5-7-19(14-17)27-3/h5-14,25H,15H2,1-4H3/p+1
    Definition date:2018-06-08
    Last modified:2019-02-01
    Identifier:[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    O H 3 C CH 3 + NH N H CH 3
    F8T
    Name:[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    Formula:C22 H25 N2 O
    SMILES:COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)cc2
    InChi:InChI=1S/C22H24N2O/c1-24(2)16-17-7-11-20(12-8-17)23-21-13-9-18(10-14-21)19-5-4-6-22(15-19)25-3/h4-15,23H,16H2,1-3H3/p+1
    Definition date:2018-06-08
    Last modified:2019-02-01
    Identifier:[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    O NH N H HN NH H 3 C CH 3 CH 3
    FD7
    Name:N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
    Formula:C14 H22 N4 O
    SMILES:c1(c(cccc1CC)CC)NC(=O)N/C(=N)NCC
    InChi:InChI=1S/C14H22N4O/c1-4-10-8-7-9-11(5-2)12(10)17-14(19)18-13(15)16-6-3/h7-9H,4-6H2,1-3H3,(H4,15,16,17,18,19)
    Definition date:2018-03-23
    Last modified:2019-02-01
    Identifier:N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
    Cl HN O N N H N
    FFS
    Name:N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
    Formula:C19 H15 Cl N4 O
    SMILES:n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl
    InChi:InChI=1S/C19H15ClN4O/c20-13-5-3-6-14(11-13)22-19-23-17-9-2-1-8-16(17)18(24-19)21-12-15-7-4-10-25-15/h1-11H,12H2,(H2,21,22,23,24)
    Definition date:2018-03-28
    Last modified:2019-02-01
    Identifier:N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
    CH 3 Cl N H F N NH N
    FFV
    Name:N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
    Formula:C19 H18 Cl F N4
    SMILES:n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)cccc3)NC(C)C4CC4
    InChi:InChI=1S/C19H18ClFN4/c1-11(12-6-7-12)22-18-14-4-2-3-5-17(14)24-19(25-18)23-13-8-9-16(21)15(20)10-13/h2-5,8-12H,6-7H2,1H3,(H2,22,23,24,25)/t11-/m1/s1
    Definition date:2018-03-29
    Last modified:2019-02-01
    Identifier:N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
    H 3 C Cl NH NH F N N H N
    FFY
    Name:N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
    Formula:C24 H25 Cl F N5
    SMILES:n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)c(ccc3)C4=CCNCC4)NC(C5CC5)C
    InChi:InChI=1S/C24H25ClFN5/c1-14(15-5-6-15)28-23-19-4-2-3-18(16-9-11-27-12-10-16)22(19)30-24(31-23)29-17-7-8-21(26)20(25)13-17/h2-4,7-9,13-15,27H,5-6,10-12H2,1H3,(H2,28,29,30,31)/t14-/m1/s1
    Definition date:2018-03-29
    Last modified:2019-02-01
    Identifier:N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
    O O HO O HO O N NH 2 NH N H N H
    FGD
    Name:N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid
    Formula:C21 H21 N5 O6
    SMILES:c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC(C(=O)O)CCC(=O)O)=O
    InChi:InChI=1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)/t16-/m1/s1
    Definition date:2018-03-29
    Last modified:2019-02-01
    Identifier:N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid
    S S O O O O NH 2 N N N H CH 3 CH 3
    FGE
    Name:~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
    Formula:C14 H12 N4 O4 S2
    SMILES:CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O
    InChi:InChI=1S/C14H12N4O4S2/c1-6-12(23-14(17-6)18-7(2)19)8-3-9-5-16-13(20)11(9)10(4-8)24(15,21)22/h3-5H,1-2H3,(H2,15,21,22)(H,17,18,19)
    Definition date:2018-06-28
    Last modified:2019-02-01
    Identifier:~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
    N N O O
    GEB
    Name:3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal
    Formula:C10 H18 N2 O2
    SMILES:O=CCCN1CCN(CCC=O)CC1
    InChi:InChI=1S/C10H18N2O2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h9-10H,1-8H2
    Definition date:2018-09-13
    Last modified:2019-02-01
    Identifier:3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal
    H 3 C NH O N H 2 N
    H8B
    Name:7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
    Formula:C18 H19 N3 O
    SMILES:CNCc1ccccc1OCc2ccc3ccc(N)nc3c2
    InChi:InChI=1S/C18H19N3O/c1-20-11-15-4-2-3-5-17(15)22-12-13-6-7-14-8-9-18(19)21-16(14)10-13/h2-10,20H,11-12H2,1H3,(H2,19,21)
    Definition date:2019-01-26
    Last modified:2019-02-01
    Identifier:7-[[2-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine
    N H O N H F F F CH 3 S O O CH 2 H 3 C CH 3
    HVW
    Name:(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
    Formula:C24 H29 F3 N2 O3 S
    SMILES:CC(C)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S](C)(=O)=O)C(F)(F)F)C(=O)NCC=C
    InChi:InChI=1S/C24H29F3N2O3S/c1-5-14-28-23(30)21(15-16(2)3)29-22(24(25,26)27)19-8-6-17(7-9-19)18-10-12-20(13-11-18)33(4,31)32/h5-13,16,21-22,29H,1,14-15H2,2-4H3,(H,28,30)/t21-,22-/m0/s1
    Definition date:2018-12-21
    Last modified:2019-02-01
    Identifier:(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
    O N N N N N H 2 N N OH O O O NH 2 O O HO O O O P P SH HS N NH
    J2A
    Name:(2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
    Formula:C20 H24 N10 O11 P2 S2
    SMILES:C54C(COP(OC1C(O)C(OC1n3c2c(C(N=C(N2)N)=O)nc3)COP(O4)(=O)S)(=O)S)OC(C5O)n6c7c(nc6)c(ncn7)N
    InChi:InChI=1S/C20H24N10O11P2S2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(39-18)2-37-43(35,45)41-13-10(31)6(1-36-42(34,44)40-12)38-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,44)(H,35,45)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-,42+,43-/m1/s1
    Synonyms:nonhydrolyzable phosphorothioate analog of 2'3' cyclic GMP-AMP
    Definition date:2018-08-03
    Last modified:2019-02-01
    Identifier:(2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
    O N N N H H 2 N N N OH O O HO OH NH 2 O OH O O O OH P P HS HS N N N
    J2B
    Name:O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate
    Formula:C20 H28 N10 O12 P2 S2
    SMILES:C3(C(C(n2c1c(C(N=C(N1)N)=O)nc2)OC3CO)OP(OCCC(C(C(n5c4c(c(ncn4)N)nc5)O)O)OP(=O)(O)S)(=O)S)O
    InChi:InChI=1S/C20H28N10O12P2S2/c21-14-9-15(24-4-23-14)29(5-25-9)18(35)12(33)7(41-43(36,37)45)1-2-39-44(38,46)42-13-11(32)8(3-31)40-19(13)30-6-26-10-16(30)27-20(22)28-17(10)34/h4-8,11-13,18-19,31-33,35H,1-3H2,(H,38,46)(H2,21,23,24)(H2,36,37,45)(H3,22,27,28,34)/t7-,8-,11-,12-,13-,18-,19-,44+/m1/s1
    Synonyms:cleaved nonhydrolyzable phosphorothioate analog of 2'3' cyclic GMP-AMP
    Definition date:2018-08-30
    Last modified:2019-02-01
    Identifier:O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate (non-preferred name)
    O N H O N H NH NH 2
    J2N
    Name:(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
    Formula:C13 H16 N4 O2
    SMILES:NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1
    InChi:InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m0/s1
    Definition date:2019-01-16
    Last modified:2019-02-01
    Identifier:(3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
    OH NH H 2 N N H O O H 3 C
    J2Q
    Name:~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide
    Formula:C16 H17 N3 O3
    SMILES:CCOc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N
    InChi:InChI=1S/C16H17N3O3/c1-2-22-13-5-3-4-12(14(13)20)16(21)19-11-8-6-10(7-9-11)15(17)18/h3-9,20H,2H2,1H3,(H3,17,18)(H,19,21)
    Definition date:2019-01-16
    Last modified:2019-02-01
    Identifier:~{N}-(4-carbamimidoylphenyl)-3-ethoxy-2-oxidanyl-benzamide
    OH HN NH 2 NH O O H 3 C
    J2W
    Name:~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
    Formula:C15 H15 N3 O3
    SMILES:COc1cccc(c1O)C(=O)Nc2ccc(cc2)C(N)=N
    InChi:InChI=1S/C15H15N3O3/c1-21-12-4-2-3-11(13(12)19)15(20)18-10-7-5-9(6-8-10)14(16)17/h2-8,19H,1H3,(H3,16,17)(H,18,20)
    Definition date:2019-01-16
    Last modified:2019-02-01
    Identifier:~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide
    O O HN N H NH NH 2
    J3B
    Name:(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
    Formula:C13 H16 N4 O2
    SMILES:NC(=N)c1ccc(NC(=O)[CH]2CCCNC2=O)cc1
    InChi:InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)/t10-/m1/s1
    Definition date:2019-01-17
    Last modified:2019-02-01
    Identifier:(3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide
    OH H 3 C OH O OH HO HO O
    J5B
    Name:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol
    Formula:C10 H20 O7
    SMILES:C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
    InChi:InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6-,7-,8+,9-,10+/m1/s1
    Synonyms:reacted 3,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE
    Definition date:2019-01-26
    Last modified:2019-02-01
    Identifier:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol
    NH 2 O + N NH H 2 N _ O CH 3 HO
    J9Y
    Name:(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
    Formula:C7 H16 N4 O3
    SMILES:NC(CCC/[N+](O)=C(/N)NC)C([O-])=O
    InChi:InChI=1S/C7H16N4O3/c1-10-7(9)11(14)4-2-3-5(8)6(12)13/h5,14H,2-4,8H2,1H3,(H3,9,10,12,13)/t5-/m0/s1
    Definition date:2018-08-27
    Last modified:2019-02-01
    Identifier:(2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
    N H NH 2 N N N Cl O F
    JXP
    Name:7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    Formula:C18 H13 Cl F N5 O
    SMILES:c1(cccc(c1)F)c2cc(c(cc2)Cl)COc4cc(nc3c4nnn3)N
    InChi:InChI=1S/C18H13ClFN5O/c19-14-5-4-11(10-2-1-3-13(20)7-10)6-12(14)9-26-15-8-16(21)22-18-17(15)23-25-24-18/h1-8H,9H2,(H3,21,22,23,24,25)
    Definition date:2018-10-09
    Last modified:2019-02-01
    Identifier:7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    O NH 2 N N N N N N H CH 3
    JXS
    Name:7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    Formula:C16 H15 N7 O
    SMILES:c3c(COc2cc(nc1nnnc12)N)cccc3c4ccn(C)n4
    InChi:InChI=1S/C16H15N7O/c1-23-6-5-12(21-23)11-4-2-3-10(7-11)9-24-13-8-14(17)18-16-15(13)19-22-20-16/h2-8H,9H2,1H3,(H3,17,18,19,20,22)
    Definition date:2018-10-09
    Last modified:2019-02-01
    Identifier:7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine