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    CH 3 N H 2 N N F F F CH 3 CH 3
    KMM
    Name:6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
    Formula:C19 H24 F3 N3
    SMILES:c2(CCc1cc(C)cc(n1)N)c(c(CCCN(C)C)cc(c2F)F)F
    InChi:InChI=1S/C19H24F3N3/c1-12-9-14(24-17(23)10-12)6-7-15-18(21)13(5-4-8-25(2)3)11-16(20)19(15)22/h9-11H,4-8H2,1-3H3,(H2,23,24)
    Definition date:2019-01-03
    Last modified:2019-03-08
    Identifier:6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
    N NH 2 N F F F CH 3 CH 3 H 3 C
    KMS
    Name:6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
    Formula:C19 H24 F3 N3
    SMILES:c2(cc(C)cc(CCc1c(F)c(F)c(c(c1)CCCN(C)C)F)n2)N
    InChi:InChI=1S/C19H24F3N3/c1-12-9-15(24-16(23)10-12)7-6-14-11-13(5-4-8-25(2)3)17(20)19(22)18(14)21/h9-11H,4-8H2,1-3H3,(H2,23,24)
    Definition date:2019-01-03
    Last modified:2019-03-08
    Identifier:6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
    HN NH 2 N F F CH 3 H 3 C
    KMV
    Name:6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
    Formula:C18 H19 F2 N3
    SMILES:c2(cc(C)cc(CCc1c(F)c(F)cc(c1)C#CCNC)n2)N
    InChi:InChI=1S/C18H19F2N3/c1-12-8-15(23-17(21)9-12)6-5-14-10-13(4-3-7-22-2)11-16(19)18(14)20/h8-11,22H,5-7H2,1-2H3,(H2,21,23)
    Definition date:2019-01-03
    Last modified:2019-03-08
    Identifier:6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
    CH 3 N H 2 N N F F H 3 C
    KN4
    Name:6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    Formula:C21 H27 F2 N3
    SMILES:c1(F)c(F)cc(cc1CCc2cc(cc(n2)N)C)CCC3CCCN3C
    InChi:InChI=1S/C21H27F2N3/c1-14-10-17(25-20(24)11-14)7-6-16-12-15(13-19(22)21(16)23)5-8-18-4-3-9-26(18)2/h10-13,18H,3-9H2,1-2H3,(H2,24,25)/t18-/m0/s1
    Definition date:2019-01-03
    Last modified:2019-03-08
    Identifier:6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    O N H 2 N N F F CH 3 CH 3
    KND
    Name:6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    Formula:C21 H27 F2 N3 O
    SMILES:c1c(c(F)c(cc1CCC2COCCN2C)CCc3cc(cc(n3)N)C)F
    InChi:InChI=1S/C21H27F2N3O/c1-14-9-17(25-20(24)10-14)5-4-16-11-15(12-19(22)21(16)23)3-6-18-13-27-8-7-26(18)2/h9-12,18H,3-8,13H2,1-2H3,(H2,24,25)/t18-/m0/s1
    Definition date:2019-01-03
    Last modified:2019-03-08
    Identifier:6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    H 3 C O N NH 2 N F F CH 3 CH 3
    KNS
    Name:6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine
    Formula:C23 H31 F2 N3 O
    SMILES:c1(F)c(F)cc(cc1CCc2cc(cc(n2)N)C)CCC3CC(CN3C)OCC
    InChi:InChI=1S/C23H31F2N3O/c1-4-29-20-13-19(28(3)14-20)8-5-16-11-17(23(25)21(24)12-16)6-7-18-9-15(2)10-22(26)27-18/h9-12,19-20H,4-8,13-14H2,1-3H3,(H2,26,27)/t19-,20+/m0/s1
    Definition date:2019-01-03
    Last modified:2019-03-08
    Identifier:6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine
    N NH 2 N F F CH 3 CH 3
    KNV
    Name:6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    Formula:C20 H25 F2 N3
    SMILES:c2(CCc1cc(cc(n1)N)C)c(F)c(F)cc(c2)CCC3CCN3C
    InChi:InChI=1S/C20H25F2N3/c1-13-9-16(24-19(23)10-13)5-4-15-11-14(12-18(21)20(15)22)3-6-17-7-8-25(17)2/h9-12,17H,3-8H2,1-2H3,(H2,23,24)/t17-/m0/s1
    Definition date:2019-01-03
    Last modified:2019-03-08
    Identifier:6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    N N F F CH 3 H 3 C NH 2
    KPJ
    Name:6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    Formula:C21 H27 F2 N3
    SMILES:c3(CCc1cc(cc(N)n1)C)cc(CCC2CCCN2C)cc(c3F)F
    InChi:InChI=1S/C21H27F2N3/c1-14-10-17(25-20(24)11-14)7-6-16-12-15(13-19(22)21(16)23)5-8-18-4-3-9-26(18)2/h10-13,18H,3-9H2,1-2H3,(H2,24,25)/t18-/m1/s1
    Definition date:2019-01-03
    Last modified:2019-03-08
    Identifier:6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    Cl Cl S O N N N H
    KWD
    Name:2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide
    Formula:C12 H7 Cl2 N3 O S
    SMILES:Clc1ccc(cc1Cl)c2csc(NC(=O)CC#N)n2
    InChi:InChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18)
    Definition date:2019-01-18
    Last modified:2019-03-08
    Identifier:2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide
    Cl Cl OH O N H N N N
    KWP
    Name:~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
    Formula:C17 H16 Cl2 N4 O2
    SMILES:OCC[CH]1CN(N=C1NC(=O)c2ccncc2)c3ccc(Cl)c(Cl)c3
    InChi:InChI=1S/C17H16Cl2N4O2/c18-14-2-1-13(9-15(14)19)23-10-12(5-8-24)16(22-23)21-17(25)11-3-6-20-7-4-11/h1-4,6-7,9,12,24H,5,8,10H2,(H,21,22,25)/t12-/m0/s1
    Definition date:2019-01-22
    Last modified:2019-03-08
    Identifier:~{N}-[(4~{S})-2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-3,4-dihydropyrazol-5-yl]pyridine-4-carboxamide
    Cl Cl O N N N H CH 3
    KWV
    Name:~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide
    Formula:C11 H11 Cl2 N3 O
    SMILES:CC(=O)NC1=NN(CC1)c2ccc(Cl)c(Cl)c2
    InChi:InChI=1S/C11H11Cl2N3O/c1-7(17)14-11-4-5-16(15-11)8-2-3-9(12)10(13)6-8/h2-3,6H,4-5H2,1H3,(H,14,15,17)
    Definition date:2019-01-22
    Last modified:2019-03-08
    Identifier:~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide
    O N HO F F F F F N N H 3 C O S O O F F
    L8A
    Name:1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one
    Formula:C26 H26 F7 N3 O5 S
    SMILES:c1c(C(C(F)(F)F)(C(F)(F)F)O)ccc(c1)C3(CN(C(=O)N2CCN(C(=O)C)CC2)CC3)S(c4ccc(F)cc4)(=O)=O
    InChi:InChI=1S/C26H26F7N3O5S/c1-17(37)34-12-14-35(15-13-34)22(38)36-11-10-23(16-36,42(40,41)21-8-6-20(27)7-9-21)18-2-4-19(5-3-18)24(39,25(28,29)30)26(31,32)33/h2-9,39H,10-16H2,1H3/t23-/m0/s1
    Definition date:2019-02-12
    Last modified:2019-03-08
    Identifier:1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one
    OH OH OH O P O HO N HO HN O P O OH H 3 C
    LJS
    Name:(2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid
    Formula:C13 H18 N2 O10 P2
    SMILES:N1C(C)=C(O)C(C(=C1)COP(O)(=O)O)=[C@H]\N=C(\C(O)=O)[C@H]=[C@H]CP(O)(=O)O
    InChi:InChI=1S/C13H18N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h2-3,5-6,14,16H,4,7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b3-2-,10-6-,15-11+
    Definition date:2019-02-25
    Last modified:2019-03-08
    Identifier:(2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid
    H 3 C N O H 3 C O CH 3 CH 3 O O CH 3 O O + N _ O
    NIW
    Name:2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
    Formula:C21 H24 N2 O7
    SMILES:O=C(c1c(c(c(nc1C)C)C(OC(C)C)=O)c2cc([N+]([O-])=O)ccc2)OCCOC
    InChi:InChI=1S/C21H24N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12H,9-10H2,1-5H3
    Synonyms:Nimodipine M (dehydro)
    Definition date:2017-12-12
    Last modified:2019-03-08
    Identifier:2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
    CH 3 S P OH HO O HO O O O O N H N H CH 3 CH 3
    XLN
    Name:N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
    Formula:C17 H33 N2 O8 P S
    SMILES:CCC[C@H]=[C@H]S(CCCNC(CCNC(C(C(COP(O)O)(C)C)O)=O)=O)(=O)=O
    InChi:InChI=1S/C17H33N2O8PS/c1-4-5-6-11-29(25,26)12-7-9-18-14(20)8-10-19-16(22)15(21)17(2,3)13-27-28(23)24/h6,11,15,21,23-24H,4-5,7-10,12-13H2,1-3H3,(H,18,20)(H,19,22)/b11-6-/t15-/m0/s1
    Definition date:2018-11-16
    Last modified:2019-03-08
    Identifier:N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide
    S N N H O O N H H 3 C N H
    9D0
    Name:N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
    Formula:C23 H30 N4 O2 S
    SMILES:CCCCCCCCNCc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3
    InChi:InChI=1S/C23H30N4O2S/c1-2-3-4-5-6-7-12-24-13-17-8-10-18(11-9-17)14-25-21(28)19-15-30-23-20(19)22(29)26-16-27-23/h8-11,15-16,24H,2-7,12-14H2,1H3,(H,25,28)(H,26,27,29)
    Definition date:2018-03-16
    Last modified:2019-03-01
    Identifier:N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
    N H S N N H O O H 3 C H 3 C N
    9D3
    Name:N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
    Formula:C19 H22 N4 O2 S
    SMILES:CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3
    InChi:InChI=1S/C19H22N4O2S/c1-3-23(4-2)10-14-7-5-13(6-8-14)9-20-17(24)15-11-26-19-16(15)18(25)21-12-22-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,24)(H,21,22,25)
    Definition date:2018-03-16
    Last modified:2019-03-01
    Identifier:N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
    S N N H O O HN CH 3 N
    9D6
    Name:N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
    Formula:C23 H28 N4 O2 S
    SMILES:C1CCCCC1N(Cc2ccc(cc2)CNC(c4c3c(N=CNC3=O)sc4)=O)CC
    InChi:InChI=1S/C23H28N4O2S/c1-2-27(18-6-4-3-5-7-18)13-17-10-8-16(9-11-17)12-24-21(28)19-14-30-23-20(19)22(29)25-15-26-23/h8-11,14-15,18H,2-7,12-13H2,1H3,(H,24,28)(H,25,26,29)
    Definition date:2018-03-16
    Last modified:2019-03-01
    Identifier:N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
    N H 3 C S N N N OH O Br CH 3
    9NX
    Name:5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
    Formula:C17 H15 Br N4 O2 S
    SMILES:COc1cc(C=Nn2c(SC)nnc2c3ccccc3)c(Br)cc1O
    InChi:InChI=1S/C17H15BrN4O2S/c1-24-15-8-12(13(18)9-14(15)23)10-19-22-16(20-21-17(22)25-2)11-6-4-3-5-7-11/h3-10,23H,1-2H3/b19-10+
    Definition date:2018-06-11
    Last modified:2019-03-01
    Identifier:5-bromanyl-2-methoxy-4-[(~{E})-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
    HO N O N H N O HO CH 3 O N
    9YB
    Name:(3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid
    Formula:C30 H32 N4 O5
    SMILES:COc1ccc(CN2CCc3n(CCO)nc(C(=O)N[CH](CC(O)=O)c4ccccc4)c3C2)c5ccccc15
    InChi:InChI=1S/C30H32N4O5/c1-39-27-12-11-21(22-9-5-6-10-23(22)27)18-33-14-13-26-24(19-33)29(32-34(26)15-16-35)30(38)31-25(17-28(36)37)20-7-3-2-4-8-20/h2-12,25,35H,13-19H2,1H3,(H,31,38)(H,36,37)/t25-/m1/s1
    Definition date:2017-08-01
    Last modified:2019-03-01
    Identifier:(3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid
    N Cl O N Cl O H 3 C H 3 C H 3 C N H HO O O
    AYO
    Name:(4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid
    Formula:C26 H29 Cl2 N3 O5
    SMILES:C(=O)(CC(c2c(c(c1noc(CC(C)(C)C)c1)on2)C3CC3)CCC(O)=O)Nc4ccc(cc4Cl)Cl
    InChi:InChI=1S/C26H29Cl2N3O5/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34)/t15-/m0/s1
    Definition date:2018-12-07
    Last modified:2019-03-01
    Identifier:(4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid
    N H 2 N HN O N N P OH O O OH OH O
    DGP
    Name:2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
    Formula:C10 H14 N5 O7 P
    SMILES:O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
    InChi:InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
    Definition date:1999-07-08
    Last modified:2019-03-01
    Identifier:2'-deoxy-5'-guanylic acid
    HO HO Cl N N H 2 N HN N O O OH O P O
    F74
    Name:8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate)
    Formula:C10 H13 Cl N5 O7 P
    SMILES:C1(=O)c2c(NC(=N1)N)n(c(n2)Cl)C3CC(C(COP(O)(O)=O)O3)O
    InChi:InChI=1S/C10H13ClN5O7P/c11-9-13-6-7(14-10(12)15-8(6)18)16(9)5-1-3(17)4(23-5)2-22-24(19,20)21/h3-5,17H,1-2H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,4+,5+/m0/s1
    Definition date:2018-03-08
    Last modified:2019-03-01
    Identifier:8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate)
    O NH 2 CH OH
    F9D
    Name:(2R)-2-aminopent-4-ynoic acid
    Formula:C5 H7 N O2
    SMILES:C(=O)(O)C(N)CC#C
    InChi:InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m1/s1
    Definition date:2018-03-16
    Last modified:2019-03-01
    Identifier:(2R)-2-aminopent-4-ynoic acid
    N H O N CH 3 N H 3 C N CH 3 CH 3 N O N
    HG5
    Name:(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one
    Formula:C30 H38 N6 O2
    SMILES:CCOc1cc(ccc1Nc2ncc3N(C)C(=O)[CH](CC)N(Cc4ccccc4)c3n2)C5CCN(C)CC5
    InChi:InChI=1S/C30H38N6O2/c1-5-25-29(37)35(4)26-19-31-30(33-28(26)36(25)20-21-10-8-7-9-11-21)32-24-13-12-23(18-27(24)38-6-2)22-14-16-34(3)17-15-22/h7-13,18-19,22,25H,5-6,14-17,20H2,1-4H3,(H,31,32,33)/t25-/m1/s1
    Definition date:2018-12-05
    Last modified:2019-03-01
    Identifier:(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one