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357 SMILES Strings for Beta-lactamase AmpC

Compound NameSMILES String
BDBM1944 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
BDBM2581 O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM23223 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
BDBM25817 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
BDBM26996 OB(O)c1ccccc1
BDBM26124 OB(O)c1cccc(c1)C(F)(F)F
BDBM26128 OB(O)c1ccc(F)cc1
BDBM26129 OB(O)c1ccc(cc1)C(F)(F)F
BDBM26133 COc1ccc(cc1)B(O)O
BDBM26139 OB(O)c1cc2ccccc2s1
BDBM26140 OB(O)c1cc2ccccc2o1
BDBM31768 CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM31770 Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
BDBM31772 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
BDBM31773 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
BDBM31774 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
BDBM36442 O=C1N(CCc2nn[n-]n2)C(=O)c2ccccc12
BDBM36447 O=c1n(Cc2nn[n-]n2)cnc2sc3CCCCc3c12
BDBM36448 Fc1cccc(c1)C(=O)Nc1cccc(c1)-c1nn[n-]n1
BDBM36437 CCc1c(C)[nH]n(-c2nn[n-]n2)c1=O
BDBM36438 O=C1CCCC(Nc2nn[n-]n2)=C1 |c:12|
BDBM36439 [O-]C(=O)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F
BDBM36440 C[C@H](N1C(=O)C2C3CCC(C3)C2C1=O)C([O-])=O
BDBM36441 [O-]C(=O)CN1C(=O)O[C@H](C1=O)c1ccccc1
BDBM34417 Cc1cccc(OCC(=O)Nc2cccc(c2)-c2nnc(o2)-c2ccccc2)c1C
BDBM37510 Cc1ccc2nc(cc(O)c2c1)-c1ccccc1
BDBM39844 OB(O)c1cccc(NC(=O)c2ccc(cc2)C#N)c1
BDBM39845 OB(O)c1cccc(NC(=O)Cc2cccs2)c1
BDBM39855 Nc1cccc(c1)S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39826 Cn1ncc(c1Cl)S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39831 OB(O)c1cccc(NC(=O)c2ccc(o2)N(=O)=O)c1
BDBM39832 CN(C)S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39833 OB(O)c1cccc(NC(=O)CCl)c1
BDBM39834 OB(O)c1cccc(NC(=O)OCc2ccccc2)c1
BDBM39835 OB(O)c1cccc(NC(=O)c2cccc(c2)C#N)c1
BDBM39842 COc1ccc(cc1)C(=O)Nc1cccc(c1)B(O)O
BDBM39814 OB(O)CNC(=O)CSc1ccncc1
BDBM39815 CC(C)(C)OC(=O)C(C)(C)O\N=C(\C(=O)NCB(O)O)c1csc(S)n1
BDBM39816 CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(S)n1)C([O-])=O
BDBM39817 OB(O)O
BDBM39818 CB(O)O
BDBM39819 Cc1noc(C)c1S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39820 OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)S(=O)(=O)c2ccccc2)c1
BDBM39821 CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39822 OB(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
BDBM39823 OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
BDBM39824 OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2N(=O)=O)c1
BDBM39825 OB(O)c1cccc(NS(=O)(=O)c2cccc3ccccc23)c1
BDBM39827 OB(O)c1cccc(NS(=O)(=O)c2cccc3NSNc23)c1
BDBM39828 OB(O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
BDBM39829 OB(O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1
BDBM39830 OB(O)c1cccc(NC(=O)c2cc3ccccc3s2)c1
BDBM39836 OB(O)c1cccc(NC(=O)c2ccc(cc2)N(=O)=O)c1
BDBM39837 OB(O)c1cccc(NC(=O)c2cccc(c2)N(=O)=O)c1
BDBM39838 OB(O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1
BDBM39839 OB(O)c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
BDBM39840 OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)-c2ccon2)c1
BDBM39841 CC(=O)c1sccc1S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM39843 OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)-c2cc(n(n2)C(F)(F)F)C(F)(F)F)c1
BDBM39846 OB(O)c1cccc(NS(=O)(=O)c2cc(c(Cl)s2)N(=O)=O)c1
BDBM39847 OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)c1
BDBM39848 OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)c1
BDBM39849 OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1
BDBM39850 OB(O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)c1
BDBM39851 OB(O)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(cc3)C(O)=O)c2)c1
BDBM39852 OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c1
BDBM39853 OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)N(=O)=O)c1
BDBM39854 OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)N(=O)=O)c1
BDBM39856 OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1
BDBM39857 OB(O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)cc2)c1
BDBM39808 OB(O)CNC=O
BDBM39809 OB(O)CNC(=O)Cc1ccccc1
BDBM39810 OB(O)CNC(=O)COc1ccccc1
BDBM39811 CC(Oc1ccccc1)C(=O)NCB(O)O
BDBM39812 CCOc1ccc2ccccc2c1C(=O)NCB(O)O
BDBM39813 OB(O)CNC(=O)CCl
BDBM41848 OC(=O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
BDBM41849 Cn1cc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)c2ccccc12
BDBM41850 OC(=O)[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
BDBM41851 OC(=O)[C@@H](Cc1ccc2ccccc2c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
BDBM41852 Cc1ccc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)c(C)c1
BDBM41853 CC(C)(C)c1ccc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)cc1
BDBM41854 OC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
BDBM41855 OC(=O)[C@@H](Cc1c2ccccc2cc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
BDBM50002861 OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1
BDBM50012957 COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
BDBM50021954 CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM50021959 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
BDBM50038168 Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12
BDBM50053173 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM50053183 C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50053175 C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50053179 C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053180 C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053181 CCOC(=O)\C=C/[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50067051 NC(=O)Nc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
BDBM50067052 Cn1ccnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
BDBM50067053 NC(=O)\C=C1/CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1
BDBM50067055 Oc1ccc(NCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
BDBM50067056 Oc1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
BDBM50067057 [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)C=Cc1cnc[nH]1 |w:15.17|
BDBM50067058 NC(=O)c1cccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1
BDBM50067060 CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
BDBM50067061 Cn1nnnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
BDBM50067062 CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
BDBM50067063 NC(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)cc1
BDBM50067064 [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCNC1=O
BDBM50067065 NC(C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O)c1ccc(O)cc1
BDBM50067066 Cn1nnnc1S[C@@H]1CN([C@H]2[C@@H]1N(C2=O)S([O-])(=O)=O)C(=O)OCc1ccccc1
BDBM50067046 [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)OCc1ccccc1
BDBM50067047 Cc1nn(C)c(SCC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)nc1=O
BDBM50067048 Cn1cnnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O
BDBM50067049 [O-]S(=O)(=O)N1[C@H]2[C@H](N(C[C@@H]2F)C(=O)OCc2ccccc2)C1=O
BDBM50067050 [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1
BDBM50065297 CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50067902 OB(O)c1ccsc1
BDBM50067903 OB(O)c1ccc(cc1)B(O)O
BDBM50067904 OB(O)c1ccccc1C=O
BDBM50067905 OB(O)[C@H]1CCOC1
BDBM50067906 Nc1cccc(c1)B(O)O
BDBM50067907 OB(O)c1csc2ccccc12
BDBM50067908 OB(O)c1ccc2[nH]ccc2c1
BDBM50067909 OB(O)c1cc2ccccc2c2ccccc12
BDBM50067910 OB(O)c1ccc(cc1)-c1ccc(cc1)B(O)O
BDBM50067911 Cc1csc(c1)B(O)O
BDBM50067912 OB(O)c1ccco1
BDBM50067913 OB(O)c1ccc2ccccc2c1
BDBM50067884 CCCCB(O)O
BDBM50067885 OB(O)c1ccc(cc1)C(O)=O
BDBM50067886 OB(O)c1ccc(\C=C\C(O)=O)cc1
BDBM50067887 O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
BDBM50067888 OB(O)[C@@H]1CCOC1
BDBM50067889 OB(c1ccccc1)c1ccccc1
BDBM50067890 CC(=O)c1ccc(s1)B(O)O
BDBM50067891 OB(O)c1ccc(Cl)s1
BDBM50067892 OB(O)c1ccc(Br)cc1
BDBM50067893 OB(O)c1cccc(c1)C(O)=O
BDBM50067894 OB(O)c1ccc(C=O)cc1
BDBM50067895 Cc1ccc(cc1)B(O)O
BDBM50067896 OB(O)c1cccc2ccccc12
BDBM50067897 OB(O)c1ccc2OCOc2c1
BDBM50067898 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cccc(c1)B(O)O
BDBM50067899 OB(O)c1cccs1
BDBM50067900 OB(O)c1cccc(\C=C\C(O)=O)c1
BDBM50067901 OB(O)c1sccc1C=O
BDBM50076671 CC(C)[C@H](NC[C@H]1OCC[C@H]1SC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O)C(O)=O |t:13|
BDBM50079267 Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
BDBM50076672 CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
BDBM50076673 C[C@H](O)[C@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
BDBM50076674 C[C@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
BDBM50076675 CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C([O-])=O
BDBM50076676 CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C([O-])=O
BDBM50076677 C[C@@H](O)[C@@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
BDBM50076678 CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O
BDBM50076679 C[C@]1(\C=C\C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
BDBM50076680 C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50076681 C[C@]1(\C=C/C#N)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
BDBM50076682 CO\N=C\[C@@]1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
BDBM50076683 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C([O-])=O
BDBM50081027 C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccccc1)C(O)=O
BDBM50081042 OC(=O)[C@H](S)Cc1ccc2oc3ccccc3c2c1
BDBM50081016 OC(=O)[C@H](S)Cc1ccccc1
BDBM50081017 CC(=O)S[C@H](Cc1ccccc1)C(O)=O
BDBM50081018 C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
BDBM50081019 C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081020 C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081025 OC(=O)[C@@H](Cc1ccc2oc3ccccc3c2c1)SC(=O)c1ccccc1
BDBM50081026 C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
BDBM50081030 C[C@@H](NC(=O)OCC=C)C(=O)S[C@H](Cc1ccccc1)C(O)=O
BDBM50081034 C[C@@H](NC(=O)CCC(O)=O)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081035 C[C@@H](NC(=O)c1ccccc1)C(=O)SCC(O)=O
BDBM50081037 CCC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081038 C[C@@H](NC(C)=O)C(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
BDBM50081040 C[C@@H](NC(=O)COc1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081044 CC(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081047 C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccccc1)C(O)=O
BDBM50081049 CC(C)C(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081050 C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081053 C[C@@H](NC(=O)Cc1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081013 OC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)SC(=O)c1ccccc1
BDBM50081056 OC(=O)[C@H](S)Cc1ccc(cc1)-c1ccccc1
BDBM50081057 OC(=O)[C@@H](Cc1ccccc1)SC(=O)c1ccccc1
BDBM50081064 C[C@@H](NC(=O)c1ccccc1)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
BDBM50081065 CC(=O)S[C@H](Cc1ccc2oc3ccccc3c2c1)C(O)=O
BDBM50099184 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(N)cc3)C2=O)S1(=O)=O)C(O)=O
BDBM50099185 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC4CCCN4)nn3)C2=O)S1(=O)=O)C(O)=O
BDBM50099186 COC(=O)\C=C\CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
BDBM50099187 CON(C)C(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2=O)C1=O
BDBM50099188 CC(=O)CC=CC1[C@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3|
BDBM50099189 COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
BDBM50099190 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(O)cc3)C2=O)S1(=O)=O)C(O)=O
BDBM50099192 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccccc3)C2=O)S1(=O)=O)C(O)=O
BDBM50099193 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(nn3)-c3ccc(F)cc3)C2=O)S1(=O)=O)C(O)=O
BDBM50099194 CC1(C)[C@@H](N2[C@@H]([C@H](Cc3cn(CC(N)Cc4ccc(O)cc4)nn3)C2=O)S1(=O)=O)C(O)=O
BDBM50099195 CC(=O)CC=CC1[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O |w:4.3|
BDBM50099191 CC1(C)[C@@H](N2[C@H](C(C\C=C\C#N)C2=O)S1(=O)=O)C(O)=O
BDBM50099196 CC1(C)[C@@H](N2[C@@H](C(C\C=C\C=O)C2=O)S1(=O)=O)C(O)=O
BDBM50105976 Oc1cc(c2ccccc2c1N=Nc1ccc2ccccc2c1O)S(O)(=O)=O |w:12.14|
BDBM50105977 Oc1ccc2ccccc2c1N=Nc1c(O)cc(c2ccccc12)S(O)(=O)=O |w:11.12|
BDBM50111616 OC(=O)C1(C(O)=O)C23c4c5-c6c7c8c9c%10c%11c%12c%13c%14-c(c5C75C(C(O)=O)(C(O)=O)C%10%135)c5c4-c4c2c2c7c%10c%13c(c6C13%10)c8c1c9c3c%11c6c8c%12c9c%14C55C(C(O)=O)(C(O)=O)C55c4c4c%10c5c9c8c5c%10c8c(c24)c7c2c%13c1c1c2c8c5c6c31
BDBM50111585 Oc1ccc(cc1)N=Nc1ccc(Br)cc1 |w:8.9|
BDBM50111586 [#6]-1-[#6]-[#7]-[#6]-[#6](-[#6]-1)\[#6]=[#6]-1\c2ccccc2-c2ccccc-12
BDBM50111587 CC(C)(C)c1cc(\C=C2\C(=O)Nc3ncccc23)cc(c1O)C(C)(C)C
BDBM50111589 [#8-]-[#6](=O)-c1ccccc1\[#6](=[#6]-1\[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1)-c1cc(I)c(-[#8-])c(I)c1 |c:18,t:12|
BDBM50111590 OC(=O)c1cc(nc(c1)-c1ccc(Sc2ccc(Cl)cc2)cc1)-c1ccc(Cl)cc1
BDBM50111591 Oc1ccc(cc1O)-c1csc(Nc2ccc(F)cc2F)n1
BDBM50111592 Oc1c2c(cc(Cl)cc2=C)s\c1=c1\sc2cc(Cl)cc(=C)c2c1O
BDBM50111593 CCCCc1ccc(cc1)-c1cc(cc(n1)-c1ccc(Cl)cc1)C(O)=O
BDBM50111594 OC(=O)c1cc(nc(c1)-c1ccc(cc1)-c1ccccc1)-c1ccc(Cl)cc1
BDBM50111595 CC(C)CC(Oc1ccc(OC(=O)c2cc(nc(c2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)cc1)C(O)=O
BDBM50111596 Oc1ccccc1\C=N\NC(=O)C(=O)N\N=C\c1ccccc1O
BDBM50111597 CCCCCCC(Oc1ccc(cc1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1)C(O)=O
BDBM50111598 COC1CC[C@@]2(C)[C@@H](CCC3C4CC[C@H](NCCN)[C@@]4(C)C[C@H](O)C23)C1
BDBM50111600 Oc1ccc(cc1)N=Nc1cccc(Br)c1 |w:7.7|
BDBM50111603 CN(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50111604 Oc1oc(\C=N\c2ccc(Oc3ccccc3)cc2)c2ccccc12
BDBM50111605 O=C1Nc2ccccc2\C1=C\c1ccc(s1)-c1cccs1
BDBM50111606 [O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I
BDBM50111607 Clc1ccc2sc(Sc3nnc(NC(=O)c4ccc(Cl)c(Cl)c4)s3)nc2c1
BDBM50111608 Cc1ccc(cc1)-c1cc(cc(n1)-c1ccc2ccccc2c1)C(O)=O
BDBM50111609 OC(=O)COc1ccc(cc1)N=Nc1ccc2cc(Br)ccc2c1O |w:11.11|
BDBM50111611 Clc1ccc2sc(Sc3nnc(NC(=O)c4cccs4)s3)nc2c1
BDBM50111612 CC(C)(C)c1ccc(cc1)-c1cc(cc(n1)-c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM50111613 Oc1c(N=Nc2ccc(Br)cc2S([O-])(=O)=O)c(cc2cc(c(N=Nc3ccc(Br)cc3S([O-])(=O)=O)c(O)c12)S([O-])(=O)=O)S([O-])(=O)=O |w:4.4,23.24|
BDBM50111614 Oc1c2CCCCc2ccc1\C=C1\C(=O)Nc2ccccc12
BDBM50111615 Oc1c2c(cc(Cl)cc2=C)s\c1=c1/sc2cc(Cl)cc(=C)c2c1O
BDBM50115616 OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1
BDBM50115618 CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(N)n1)C([O-])=O
BDBM50115620 Cc1onc(c1C(=O)NCB(O)O)-c1ccccc1Cl
BDBM50115621 OB(O)CNC(=O)Cc1cccs1
BDBM50114501 NC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50114502 [O-]C(=O)CNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
BDBM50114503 [O-]C(=O)C1=C(F)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50114504 [O-]C(=O)C1=C(I)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50114505 [O-]C(=O)C1=C(Cl)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50114506 Oc1ccc(NC(=O)\C=C\C2=C(N3[C@@H](\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1 |t:10|
BDBM50114507 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NC1CC1 |t:3|
BDBM50114508 [O-]C(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:3|
BDBM50114509 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCc1ccccc1 |t:3|
BDBM50114510 NCCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
BDBM50114511 NNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
BDBM50114512 [O-]C(=O)C1=C(Br)CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50114513 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)NCC(F)(F)F |t:3|
BDBM50114514 NC(=N)NCCNC(=O)C=CC1=C(N2[C@@H](C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:9.8,16.16,t:11|
BDBM50114515 CN1CCN(CC1)C(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:12|
BDBM50114516 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)S(=O)(=O)c1ccccc1 |t:3|
BDBM50114517 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\C(=O)Nc1c(F)c(F)c(F)c(F)c1F |t:3|
BDBM50114518 CS(=O)(=O)C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:4|
BDBM50114519 ONC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
BDBM50114520 [O-]C(=O)C1=CCS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1 |t:3|
BDBM50114521 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)Sc1ccccc1 |t:3|
BDBM50114522 CSC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:2|
BDBM50114523 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1cccs1 |t:3|
BDBM50114524 OCCNC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:8|
BDBM50114525 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)c1ccccc1 |t:3|
BDBM50126829 CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O |w:26.26,c:16|
BDBM50134035 O=C(OCc1ccccc1)c1ccccc1
BDBM50134036 Cc1cccc(Nc2ccccc2C(O)=O)c1C
BDBM50140665 CC1(C)S[C@@H]2[C@H](S)C(=O)N2[C@H]1C(O)=O
BDBM50140666 CC1(C)[C@@H](N2[C@@H]([C@H](CS)C2=O)S1(=O)=O)C(O)=O
BDBM50140667 CC1(C)S[C@@H]2[C@@H](CS)C(=O)N2[C@H]1C(O)=O
BDBM50140668 CC1(C)[C@@H](N2[C@@H]([C@@H](CS)C2=O)S1(=O)=O)C(O)=O
BDBM50140669 CC1(C)[C@@H](N2[C@@H]([C@@H](S)C2=O)S1(=O)=O)C(O)=O
BDBM50140670 CC1(C)S[C@@H]2[C@@H](S)C(=O)N2[C@H]1C(O)=O
BDBM50140671 CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O
BDBM50140672 CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(O)=O
BDBM50140673 CC1(C)S[C@@H]2[C@H](CS)C(=O)N2[C@H]1C(O)=O
BDBM50145400 CC[C@H]1[C@@H]2C[N@@](C(C(=O)OCc3ccc(cc3)[N+]([O-])=O)C(OC)=C2)C1=O |c:23|
BDBM50145401 CC[C@H]1[C@@H]2C[N@](C1=O)C(C(O)=O)=C(C2)OC |c:12|
BDBM50145402 CC[C@H]1[C@@H]2C[N@](C1=O)C(C(=O)OCc1ccc(cc1)[N+]([O-])=O)=C(C2)OC |c:23|
BDBM50145404 COC1=C[C@H]2C[N@@](C1C(O)=O)C(=O)C2 |t:2|
BDBM50145405 COC1=C([N@@]2C[C@@H](CC2=O)C1)C(=O)OCc1ccc(cc1)[N+]([O-])=O |t:2|
BDBM50145406 COC1=C[C@H]2C[N@@](C1C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C2 |t:2|
BDBM60927 OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
BDBM50149778 OB(O)c1cccc(c1)N=Nc1ccc(O)cc1 |w:10.11|
BDBM50149781 OB(O)c1cc(ccc1O)N=Nc1ccc(Br)cc1 |w:11.12|
BDBM50149782 OB(O)c1cccc(c1)N=Nc1cc(Cl)c(O)c(Cl)c1 |w:9.9|
BDBM50149787 Cc1noc(C)c1\N=N\c1cccc(c1)B(O)O
BDBM50149788 OB(O)c1cccc(c1)N=Nc1ccc(cc1O)N=Nc1c(O)cc(O)c2ccccc12 |w:18.19,9.9|
BDBM50149789 OB(O)c1cccc(c1)N=Nc1ccc(cc1O)N=Nc1c(O)ccc2ccccc12 |w:18.19,9.9|
BDBM50149790 Nc1cc(ccc1\N=N\c1cccc(c1)B(O)O)B(O)O
BDBM50149791 OB(O)c1cccc(c1)N=Nc1ccccc1O |w:9.9|
BDBM50149466 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCn2n1 |t:3|
BDBM50149467 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 |t:3|
BDBM50149468 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2COCCn12 |t:3|
BDBM50149469 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cnc2CNCCn12 |t:3|
BDBM50149779 OB(O)c1cccc(c1)\N=N\c1cccc(c1)S(=O)(=O)c1csc(c1)S(O)(=O)=O
BDBM50149780 OB(O)c1cccc(c1)N=Nc1cc(c2ccccc2c1O)S(O)(=O)=O |w:9.9|
BDBM50149783 O[B-](=[OH+])c1cccc(c1)N=Nc1cccc(c1O)[N+]([O-])=O |w:9.9|
BDBM50149784 OB(O)c1cccc(c1)N=Nc1c(O)cc(O)c2ccccc12 |w:9.9|
BDBM50149785 OB(O)c1cccc(c1)N=Nc1ccc(O)c2ccccc12 |w:9.9|
BDBM50149786 OB(O)c1cccc(c1)N=Nc1c(O)ccc2ccccc12 |w:9.9|
BDBM50157692 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na] |r|
BDBM50167942 [O-]S(=O)(=O)CCCSc1nc2ccccc2s1
BDBM50167944 OC(=O)c1sccc1S(=O)(=O)Nc1ccccc1N1CCCCC1
BDBM50167947 Cc1oc(C)c(c1C(O)=O)S(=O)(=O)Nc1cccs1
BDBM50167950 OC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1
BDBM50167938 NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccsc2C(O)=O)cc1
BDBM50167955 Cc1scc(NS(=O)(=O)c2ccc(C)cc2)c1C(O)=O
BDBM50167956 OC(=O)CCSc1nc2ccccc2s1
BDBM50202233 CC(=O)NCB(O)O
BDBM50211049 COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(F)c1F
BDBM50211051 Fc1c(F)c(F)c(CSc2nc3ccccc3[nH]2)c(F)c1F
BDBM50211053 O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccco3)c(NC(=O)c3ccco3)c2)cc1)c1ccco1
BDBM50211054 Brc1ccc(o1)C(=O)Nc1cccc2ccccc12
BDBM50324678 OC(=O)c1cccs1
BDBM50324679 CC(=O)Nc1sccc1C(O)=O
BDBM50324680 CS(=O)(=O)Nc1ccc(cc1)C(O)=O
BDBM50324681 Nc1ccc(cc1O)C(O)=O
BDBM50324682 OC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1O)C(O)=O
BDBM50367298 COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|
BDBM50370211 COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)NCCCc1ccccc1
BDBM50370212 COc1ccc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2c1)NCCNc1ccc(cn1)[N+]([O-])=O
BDBM50369776 [O-][N+](=O)c1ccc(NN2C(=O)C3C(C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)c(c1)[N+]([O-])=O |t:19,TLB:9:11:23:19.17,20:19:23:11.12,THB:13:12:23:19.17,18:17:23:11.12|
BDBM50408523 [NH-]C(=O)c1ccc[n+](CC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1
BDBM50403733 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CCO[C@@H]3CN)=C(N2C1=O)C(O)=O |c:16|
BDBM178192 CC(=O)OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:16.18,6.6|
BDBM178153 COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24|
BDBM159600 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O[Na] |r|
BDBM159601 NC(=O)[C@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O[Na] |r|
BDBM178189 OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:13.15,3.3|
BDBM178205 OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14|
BDBM178194 COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24|
BDBM178186 O=CC=C1O[C@@H]2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1 |w:12.13,2.1|
BDBM178145 OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2|
BDBM178163 ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4|
BDBM178165 COC(=O)C1N2[C@@H](CC2=O)O\C1=C1/CC(CI)OC1=O |r|
BDBM178167 CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r|
BDBM178169 [N-]=[N+]=NCC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r|
BDBM178170 CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(O)=O |r|
BDBM178171 CC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(O)=O |r,w:3.3|
BDBM178180 ICC1CC(CO1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4,2.1|
BDBM178182 C=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14|
BDBM178183 C=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:11.13|
BDBM178184 C=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1(CC=C)C(=O)OCc1ccccc1 |w:6.14|
BDBM178185 O=CC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:12.21,4.3|
BDBM178188 OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:8.16,3.3|
BDBM178191 CC(=O)OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:11.19,6.6|
BDBM178196 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C=O |w:11.12|
BDBM178197 COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O |w:15.17|
BDBM178198 CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C=O |w:18.19,21.22|
BDBM178199 CC(C)(C)C(=O)OCOC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:13.12,28.31|
BDBM178200 OC(=O)C(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:7.15|
BDBM178201 OC(=O)C(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:13.22,5.4|
BDBM178202 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C(O)=O |w:11.12|
BDBM178203 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:11.12,14.15|
BDBM178204 CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:18.19,21.22|
BDBM178207 OCC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:12.21,4.3|
BDBM178208 OCC=C1O[C@@H]2CC(=O)N2C1(CC=C)C(=O)OCc1ccccc1 |w:2.1|
BDBM178209 CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O |w:7.15|
BDBM178210 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(O)=O |w:11.12|
BDBM178211 CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OC |w:7.15|
BDBM178213 CCCC1(N2[C@@H](CC2=O)OC1=CCO)C([O-])=O |w:11.13|
BDBM178214 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(=O)OC |w:11.12|
BDBM178215 OC(=O)C(CC=CCN(Cc1ccccc1)C(=O)OCc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:26.36,5.4|
BDBM60600 COC(=O)C1N2[C@@H](CC2=O)O\C1=C(/C\C=C\c1ccccc1)C=O