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    P O O HO OH N H CH 3 H 3 C
    7SX
    Name:[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
    Formula:C12 H14 N O4 P
    SMILES:Cc1cc2c(c(c1)C)C(CP(O)(O)=O)=CC(=O)N2
    InChi:InChI=1S/C12H14NO4P/c1-7-3-8(2)12-9(6-18(15,16)17)5-11(14)13-10(12)4-7/h3-5H,6H2,1-2H3,(H,13,14)(H2,15,16,17)
    Definition date:2018-04-17
    Last modified:2019-04-12
    Identifier:[(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
    HO OH O O OH
    9TF
    Name:Purpurin
    Formula:C14 H8 O5
    SMILES:c2cc1C(c3c(c(cc(c3C(c1cc2)=O)O)O)O)=O
    InChi:InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
    Definition date:2018-07-27
    Last modified:2019-04-12
    Identifier:1,2,4-trihydroxyanthracene-9,10-dione
    _ N + N N O O HN H 2 N OH O
    9TR
    Name:N6-{[(3-azidophenyl)methoxy]carbonyl}-L-lysine
    Formula:C14 H19 N5 O4
    SMILES:c1(COC(NCCCCC(C(=O)O)N)=O)cc(ccc1)N=[N+]=[N-]
    InChi:InChI=1S/C14H19N5O4/c15-12(13(20)21)6-1-2-7-17-14(22)23-9-10-4-3-5-11(8-10)18-19-16/h3-5,8,12H,1-2,6-7,9,15H2,(H,17,22)(H,20,21)/t12-/m0/s1
    Definition date:2018-07-31
    Last modified:2019-04-12
    Identifier:N~6~-{[(3-azidophenyl)methoxy]carbonyl}-L-lysine
    O OH NH 2 HN O O F F F N N
    9TU
    Name:N6-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine
    Formula:C16 H19 F3 N4 O4
    SMILES:c2(cc(C1(N=N1)C(F)(F)F)ccc2)COC(=O)NCCCCC(N)C(O)=O
    InChi:InChI=1S/C16H19F3N4O4/c17-16(18,19)15(22-23-15)11-5-3-4-10(8-11)9-27-14(26)21-7-2-1-6-12(20)13(24)25/h3-5,8,12H,1-2,6-7,9,20H2,(H,21,26)(H,24,25)/t12-/m0/s1
    Definition date:2018-07-31
    Last modified:2019-04-12
    Identifier:N~6~-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine
    CH O O HN NH 2 HO O
    9TX
    Name:N6-{[(3-ethynylphenyl)methoxy]carbonyl}-L-lysine
    Formula:C16 H20 N2 O4
    SMILES:c1(cc(C#C)ccc1)COC(NCCCCC(C(=O)O)N)=O
    InChi:InChI=1S/C16H20N2O4/c1-2-12-6-5-7-13(10-12)11-22-16(21)18-9-4-3-8-14(17)15(19)20/h1,5-7,10,14H,3-4,8-9,11,17H2,(H,18,21)(H,19,20)/t14-/m0/s1
    Definition date:2018-07-31
    Last modified:2019-04-12
    Identifier:N~6~-{[(3-ethynylphenyl)methoxy]carbonyl}-L-lysine
    O O N H NH 2 O HO
    9U0
    Name:N6-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine
    Formula:C15 H26 N2 O4
    SMILES:C=1C(CCCCCC=1)OC(NCCCCC(C(O)=O)N)=O
    InChi:InChI=1S/C15H26N2O4/c16-13(14(18)19)10-6-7-11-17-15(20)21-12-8-4-2-1-3-5-9-12/h4,8,12-13H,1-3,5-7,9-11,16H2,(H,17,20)(H,18,19)/t12-,13+/m1/s1
    Definition date:2018-07-31
    Last modified:2019-04-12
    Identifier:N~6~-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine
    Se O O O OH N H NH 2
    9U6
    Name:3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-L-alanine
    Formula:C13 H18 N2 O4 Se
    SMILES:c1(COC(=O)NCC[Se]CC(C(O)=O)N)ccccc1
    InChi:InChI=1S/C13H18N2O4Se/c14-11(12(16)17)9-20-7-6-15-13(18)19-8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
    Definition date:2018-08-01
    Last modified:2019-04-12
    Identifier:3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-L-alanine
    O O O HO N H NH 2
    9U9
    Name:N6-({[(1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-L-lysine
    Formula:C17 H26 N2 O4
    SMILES:C1(C2CCC#CCCC12)COC(NCCCCC(C(O)=O)N)=O
    InChi:InChI=1S/C17H26N2O4/c18-15(16(20)21)9-5-6-10-19-17(22)23-11-14-12-7-3-1-2-4-8-13(12)14/h12-15H,3-11,18H2,(H,19,22)(H,20,21)/t12-,13+,14-,15-/m0/s1
    Definition date:2018-08-01
    Last modified:2019-04-12
    Identifier:N~6~-({[(1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-L-lysine
    O _ O O O OH O + N N H NH 2
    9UC
    Name:N6-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine
    Formula:C14 H19 N3 O6
    SMILES:c1(COC(=O)NCCCCC(C(O)=O)N)ccc(cc1)[N+]([O-])=O
    InChi:InChI=1S/C14H19N3O6/c15-12(13(18)19)3-1-2-8-16-14(20)23-9-10-4-6-11(7-5-10)17(21)22/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19)/t12-/m0/s1
    Definition date:2018-08-01
    Last modified:2019-04-12
    Identifier:N~6~-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine
    O O O OH H 2 N N NH H 2 N
    9UF
    Name:N6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine
    Formula:C13 H20 N4 O4
    SMILES:c1(cnc(cc1)N)COC(NCCCCC(C(O)=O)N)=O
    InChi:InChI=1S/C13H20N4O4/c14-10(12(18)19)3-1-2-6-16-13(20)21-8-9-4-5-11(15)17-7-9/h4-5,7,10H,1-3,6,8,14H2,(H2,15,17)(H,16,20)(H,18,19)/t10-/m0/s1
    Definition date:2018-08-02
    Last modified:2019-04-12
    Identifier:N~6~-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine
    O O O OH _ N + N N N H NH 2
    9V0
    Name:(2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
    Formula:C14 H19 N5 O4
    SMILES:N[CH](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O
    InChi:InChI=1S/C14H19N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H,17,22)(H,20,21)/t11-/m0/s1
    Definition date:2018-08-16
    Last modified:2019-04-12
    Identifier:(2~{S})-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
    Cl O O OH O N H NH 2
    9V6
    Name:(2S)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid
    Formula:C14 H19 Cl N2 O4
    SMILES:N[CH](CCCCNC(=O)OCc1ccccc1Cl)C(O)=O
    InChi:InChI=1S/C14H19ClN2O4/c15-11-6-2-1-5-10(11)9-21-14(20)17-8-4-3-7-12(16)13(18)19/h1-2,5-6,12H,3-4,7-9,16H2,(H,17,20)(H,18,19)/t12-/m0/s1
    Definition date:2018-08-16
    Last modified:2019-04-12
    Identifier:(2~{S})-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid
    O O HO O N H NH 2
    9VC
    Name:(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid
    Formula:C14 H20 N2 O4
    SMILES:N[CH](CCCCNC(=O)OCc1ccccc1)C(O)=O
    InChi:InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m0/s1
    Definition date:2018-08-16
    Last modified:2019-04-12
    Identifier:(2~{S})-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid
    Si O OH O O H 2 N N H CH 3 CH 3 CH 3
    9VF
    Name:(2S)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid
    Formula:C11 H24 N2 O4 Si
    SMILES:C[Si](C)(C)COC(=O)NCCCC[CH](N)C(O)=O
    InChi:InChI=1S/C11H24N2O4Si/c1-18(2,3)8-17-11(16)13-7-5-4-6-9(12)10(14)15/h9H,4-8,12H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1
    Definition date:2018-08-16
    Last modified:2019-04-12
    Identifier:(2~{S})-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid
    Br O O OH O HN NH 2
    9VL
    Name:(2S)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid
    Formula:C14 H19 Br N2 O4
    SMILES:N[CH](CCCCNC(=O)OCc1ccccc1Br)C(O)=O
    InChi:InChI=1S/C14H19BrN2O4/c15-11-6-2-1-5-10(11)9-21-14(20)17-8-4-3-7-12(16)13(18)19/h1-2,5-6,12H,3-4,7-9,16H2,(H,17,20)(H,18,19)/t12-/m0/s1
    Definition date:2018-08-16
    Last modified:2019-04-12
    Identifier:(2~{S})-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid
    OH O NH 2 N H O O F F F N N
    9VR
    Name:(2S)-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid
    Formula:C16 H19 F3 N4 O4
    SMILES:N[CH](CCCCNC(=O)OCc1ccc(cc1)C2(N=N2)C(F)(F)F)C(O)=O
    InChi:InChI=1S/C16H19F3N4O4/c17-16(18,19)15(22-23-15)11-6-4-10(5-7-11)9-27-14(26)21-8-2-1-3-12(20)13(24)25/h4-7,12H,1-3,8-9,20H2,(H,21,26)(H,24,25)/t12-/m0/s1
    Definition date:2018-08-16
    Last modified:2019-04-12
    Identifier:(2~{S})-2-azanyl-6-[[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxycarbonylamino]hexanoic acid
    N O HO OH N N N NH 2 + N O _ O O NH S O O O
    B1U
    Name:5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine
    Formula:C17 H17 N7 O9 S
    SMILES:[O-][N+](c1c(cccc1)C(NS(OCC2OC(C(C2O)O)n3cnc4c3ncnc4N)(=O)=O)=O)=O
    InChi:InChI=1S/C17H17N7O9S/c18-14-11-15(20-6-19-14)23(7-21-11)17-13(26)12(25)10(33-17)5-32-34(30,31)22-16(27)8-3-1-2-4-9(8)24(28)29/h1-4,6-7,10,12-13,17,25-26H,5H2,(H,22,27)(H2,18,19,20)/t10-,12-,13-,17-/m1/s1
    Definition date:2019-01-08
    Last modified:2019-04-12
    Identifier:5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine
    HO S O O O O NH OH N N NH 2 O N N N
    B1X
    Name:5'-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine
    Formula:C18 H17 N7 O7 S
    SMILES:c21n(cnc1c(ncn2)N)C4OC(COS(NC(c3cc(C#N)ccc3)=O)(=O)=O)C(C4O)O
    InChi:InChI=1S/C18H17N7O7S/c19-5-9-2-1-3-10(4-9)17(28)24-33(29,30)31-6-11-13(26)14(27)18(32-11)25-8-23-12-15(20)21-7-22-16(12)25/h1-4,7-8,11,13-14,18,26-27H,6H2,(H,24,28)(H2,20,21,22)/t11-,13-,14-,18-/m1/s1
    Definition date:2019-01-08
    Last modified:2019-04-12
    Identifier:5'-O-[(3-cyanobenzene-1-carbonyl)sulfamoyl]adenosine
    O N OH CH 3
    B4O
    Name:6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one
    Formula:C12 H17 N O2
    SMILES:CC1=CC(=O)N(O)C(=C1)C2CCCCC2
    InChi:InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
    Definition date:2019-01-11
    Last modified:2019-04-12
    Identifier:6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one
    O OH O CH 3 O P O O O H 3 C CH 3 CH 3 H 3 C CH 3
    C0X
    Name:(2S)-3-dimethoxyphosphoryloxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
    Formula:C20 H35 O7 P
    SMILES:CO[P](=O)(OC)OC[CH](OCC=C(C)CCC=C(C)CCC=C(C)C)C(O)=O
    InChi:InChI=1S/C20H35O7P/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-26-19(20(21)22)15-27-28(23,24-5)25-6/h9,11,13,19H,7-8,10,12,14-15H2,1-6H3,(H,21,22)/b17-11+,18-13+/t19-/m0/s1
    Definition date:2019-04-04
    Last modified:2019-04-12
    Identifier:(2~{S})-3-dimethoxyphosphoryloxy-2-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid
    F SH N O S F F F F F
    D29
    Name:(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol
    Formula:C13 H11 F6 N O S2
    SMILES:FC(F)(F)c1cc(S(=O)[C@H]=[C@H]CC\N=C/S)cc(c1)C(F)(F)F
    InChi:InChI=1S/C13H11F6NOS2/c14-12(15,16)9-5-10(13(17,18)19)7-11(6-9)23(21)4-2-1-3-20-8-22/h2,4-8H,1,3H2,(H,20,22)/b4-2+/t23-/m1/s1
    Definition date:2018-04-25
    Last modified:2019-04-12
    Identifier:(Z)-{[(3E)-4-{(R)-[3,5-bis(trifluoromethyl)phenyl]sulfinyl}but-3-en-1-yl]imino}methanethiol
    HO O O H 3 C N H H 3 C CH 3 O O OH O H 3 C N CH 3 H 3 C O CH 3 OH CH 3 O O CH 3 CH 3 CH 3 O O H 3 C H 3 C OH H 3 C
    DI0
    Name:Dirithromycin
    Formula:C42 H78 N2 O14
    SMILES:COC1(C)CC(OC(C1O)C)OC3C(C)C(=O)OC(CC)C(C)(O)C2C(C)C(NC(O2)COCCOC)C(CC(C(C3C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C
    InChi:InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1
    Synonyms:(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
    Definition date:2019-03-29
    Last modified:2019-04-12
    Identifier:(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
    N H N N N N S N N O
    FJV
    Name:4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
    Formula:C20 H25 N7 O S
    SMILES:C1COCCN1c3c2CCCCc2c4c(n3)sc5c4nnnc5N6CCNCC6
    InChi:InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2
    Synonyms:5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline
    Definition date:2018-04-05
    Last modified:2019-04-12
    Identifier:5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline
    Cl Cl O HO N H
    FQ7
    Name:2-[(3,5-dichlorophenyl)amino]benzoic acid
    Formula:C13 H9 Cl2 N O2
    SMILES:c2ccc(C(O)=O)c(Nc1cc(Cl)cc(c1)Cl)c2
    InChi:InChI=1S/C13H9Cl2NO2/c14-8-5-9(15)7-10(6-8)16-12-4-2-1-3-11(12)13(17)18/h1-7,16H,(H,17,18)
    Definition date:2018-04-11
    Last modified:2019-04-12
    Identifier:2-[(3,5-dichlorophenyl)amino]benzoic acid
    P O O O HO OH O CH 3
    FUJ
    Name:[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
    Formula:C11 H11 O6 P
    SMILES:COc1ccc2c(c1)OC(C=C2CP(O)(O)=O)=O
    InChi:InChI=1S/C11H11O6P/c1-16-8-2-3-9-7(6-18(13,14)15)4-11(12)17-10(9)5-8/h2-5H,6H2,1H3,(H2,13,14,15)
    Definition date:2018-04-17
    Last modified:2019-04-12
    Identifier:[(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid