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386 SMILES Strings for Beta-lactamase

Compound NameSMILES String
BDBM14672 OC(=O)CC(O)(CC(O)=O)C(O)=O
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
BDBM39849 OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1
BDBM39856 OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1
BDBM39808 OB(O)CNC=O
BDBM39809 OB(O)CNC(=O)Cc1ccccc1
BDBM92461 CCCCCCC[C@@H](O)[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O |r|
BDBM92462 CCCCCCC[C@@H](O)[C@@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O |r|
BDBM92464 CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O
BDBM92463 C[C@@H](O)[C@@H]1[C@H]2CC(SCCN=CN)[C@@H](N2C1=O)C(O)=O |r,w:11.11|
BDBM98734 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCNC2)C1=O |r|
BDBM98735 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@@H]2CCCNCC2)C1=O |r|
BDBM98737 CN1CCC(CC1)NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98742 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCS(=O)(=O)CC2)C1=O |r|
BDBM98755 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NCC2CCNCC2)C1=O |r|
BDBM98764 CN(C1CCNCC1)C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM98787 OC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1 |r|
BDBM98791 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2cccnc2)C1=O |r|
BDBM98792 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccccn2)C1=O |r|
BDBM98796 Nc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)n1 |r|
BDBM98800 NCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)nc1 |r|
BDBM98824 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)OC2CCNCC2)C1=O |r|
BDBM114408 OC(=O)CSc1ccnc2cc(Cl)ccc12
BDBM50000407 OC(=O)c1ccccn1
BDBM50021954 CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM50021956 C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
BDBM50021959 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
BDBM50033680 CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033681 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccc1)C2=O)C([O-])=O |t:5|
BDBM50033682 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/c1ccccn1)C2=O)C([O-])=O |t:5|
BDBM50033683 CON(C)C(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:16|
BDBM50033684 CC(=O)OCC1=C(N2[C@@H](\C(=C\Br)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033685 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
BDBM50033686 [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Br)Br)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
BDBM50033689 [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
BDBM50033687 [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Cl)Cl)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
BDBM50033690 CC(=O)OCC1=C(N2[C@@H](C(=C=CC(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |wU:8.7,t:5,(16.92,-5.61,;15.59,-6.38,;15.59,-7.93,;14.24,-5.62,;12.91,-6.4,;11.56,-5.63,;10.23,-6.4,;8.9,-5.63,;8.9,-4.09,;7.36,-4.09,;6.28,-3.01,;5.19,-1.92,;3.69,-2.32,;3.3,-.82,;4.09,-3.81,;2.2,-2.71,;7.36,-5.63,;6.28,-6.7,;10.23,-3.32,;9.22,-2.13,;11.56,-2.55,;11.56,-4.09,;10.23,-7.94,;11.56,-8.71,;8.9,-8.71,)|
BDBM50033691 [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@H](-[#16]-[#6]-1)\[#6](=[#6](\Br)Br)-[#6]-2=O)-[#6](-[#8-])=O |t:5|
BDBM50033692 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C\Br)C2=O)C([O-])=O |t:5|
BDBM50033693 CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033694 CC(=O)OCC1=C(N2[C@@H](\C(=C/C(C)(C)C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033695 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(C)(C)C)C2=O)C([O-])=O |t:5|
BDBM50033696 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C(=O)OC(C)(C)C)C2=O)C([O-])=O |t:5|
BDBM50033697 CC(=O)OCC1=C(N2[C@H](SC1)C(=CC(C)=O)C2=O)C([O-])=O |w:12.13,t:5|
BDBM50033698 CC(=O)OCC1=C(N2[C@@H](\C(=C/CO)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033699 CC(=O)OCC1=C(N2[C@@H](\C(=C\c3ccccc3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50033700 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C=O)C2=O)C([O-])=O |t:5|
BDBM50033701 CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50053173 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM50053176 C[C@]1(C=CCO)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053177 CC(=O)C=C[C@@]1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |w:3.2|
BDBM50053178 C[C@]1(\C=C/Cl)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053182 C[C@]1(\C=C/C(N)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50053184 C[C@]1(\C=C/C#N)[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
BDBM50053185 C[C@]1(\C=C\COC(N)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50053186 C[C@]1(\C=C\c2nnco2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
BDBM50053187 CON(C)C(=O)\C=C/[C@@]1(C)[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
BDBM50060966 OC(=O)c1ccc(Oc2ccccc2)cc1
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
BDBM50067059 [O-]S(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)Nc1ccccc1
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
BDBM50067067 CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OCC(=O)OCc1ccccc1
BDBM50067068 NC(=O)c1ccc(NC(=O)N2CC[C@@H]3C2C(=O)N3S(O)(=O)=O)cc1
BDBM50067069 NC(=O)c1ccc(NC(=O)N2CCC3C2C(=O)N3OS([O-])(=O)=O)cc1
BDBM50067070 CC(C)(C)OC(=O)N1CCC2C1C(=O)N2OS([O-])(=O)=O
BDBM50067071 CC(C)(C)OC(=O)N1CC[C@@H]2C1C(=O)N2S(O)(=O)=O
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
BDBM50079679 COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(C)=O)S2(=O)=O)C1=O
BDBM50079680 C[C@]1(COC=O)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079681 C[C@]1(\C=C\C#N)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079682 C[C@]1(COC(=O)CCl)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079683 COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(CCl)S2(=O)=O)C1=O
BDBM50079684 C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079685 CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079686 C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079689 C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
BDBM50079690 CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C(N)=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079692 Cn1nnnc1SCC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079693 COC(=O)\C=C1/C2N([C@@H](C([O-])=O)[C@](C)(COC(=O)CSc3nnnn3C)S2(=O)=O)C1=O
BDBM50079694 C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
BDBM50079695 CC(=O)OC[C@@]1(C)[C@@H](N2C(\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O
BDBM50079688 C[C@]1(CCl)[C@@H](N2C(\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50079691 CC1(C)[C@@H](N2C(\C(=C/C([O-])=O)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
BDBM50089775 COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@@H]1C)C([O-])=O |t:2|
BDBM50089776 COC1=C(N2C([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C([O-])=O |t:2|
BDBM50089777 COC1=C(N2[C@H](C1)[C@@H]([C@@H](C)O)C2=O)C([O-])=O |t:2|
BDBM50088806 Cn1nnnc1SCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:9|
BDBM50088807 CC1C(C)=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C([O-])=O |c:3|
BDBM50088808 CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
BDBM50088809 CC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
BDBM50088810 CC(=O)OCC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
BDBM50088811 CC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
BDBM50088812 CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C([O-])=O |t:1|
BDBM50088813 CC1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:1|
BDBM50088814 CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
BDBM50088815 [#6]-[#16]\[#6](-[#16]-[#6])=[#6]1\[#6](-[#6])=[#6](-[#7]-2-[#6@@H](\[#6](=[#6]/c3ccccn3)-[#6]-2=O)S1(=O)=O)-[#6](-[#8-])=O |c:7|
BDBM50088816 COC(=O)C(\Cl)=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:7|
BDBM50088817 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)C#N |t:3|
BDBM50088818 COCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:3|
BDBM50088819 CCC(=O)OCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
BDBM50088820 [O-]C(=O)C1=C(COC(=O)C=C)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50088821 NC(=O)\C=C\C1=C(N2C(\C(=C/c3cccs3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50088822 [O-]C(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50088823 Oc1ccc(CC(=O)OCC2=C(N3C(\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1O |t:10|
BDBM50088824 [O-]C(=O)C1=C(COC(=O)COc2ccccc2)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50088825 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\[N+]([O-])=O |t:3|
BDBM50088826 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\c1ccccn1 |t:3|
BDBM50088827 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C#N |t:3|
BDBM50088828 [O-]C(=O)C1=C(CC#N)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50088830 CC(C)(C)OC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
BDBM50088831 NC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50088832 CCOC(=O)CNC(=O)OCC1=C(N2C(C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:16.16,t:11|
BDBM50088833 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C=C |t:3|
BDBM50088834 COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
BDBM50088835 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\c1cccc[n+]1[O-] |t:3|
BDBM50088836 NC(=O)OCC1=C(N2C(C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:10.10,t:5|
BDBM50088837 COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:6|
BDBM50092280 CCN1C(=S)S\C(=C/c2ccccc2)C1=O
BDBM50092281 SC1=NC(=O)C(S1)=C1C(=O)Nc2ccccc12 |w:5.4,t:1|
BDBM50092282 SC1=NC(=O)C(S1)=CC=Cc1ccco1 |w:9.10,7.8,t:1|
BDBM50092283 [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
BDBM50092284 [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1 |w:7.6,9.8,c:13|
BDBM50092285 SC1=NC(=O)C(S1)=Cc1ccc(cc1)C#N |w:7.8,t:1|
BDBM50092286 CN(C)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
BDBM50092287 OC(=O)CN1C(=S)S\C(=C/c2ccccc2)C1=O
BDBM50092288 O=C1N(CNc2nncs2)C(=S)S\C1=C/c1ccccc1
BDBM50092267 O=C1N(CNc2nnn[nH]2)C(=S)SC1=Cc1ccccc1 |w:14.16|
BDBM50092268 [O-][N+](=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:7.6,c:11|
BDBM50092269 OC1=NC(=O)C(S1)=CC=Cc1ccc(o1)[N+]([O-])=O |w:9.10,7.8,t:1|
BDBM50092270 SC1=NC(=O)C(S1)=Cc1cn(cn1)-c1ccccc1 |w:7.8,t:1|
BDBM50092271 SC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1|
BDBM50092272 OC(=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
BDBM50092273 Oc1ccccc1C=C1SC(S)=NC1=O |w:7.7,c:12|
BDBM50092274 CC(=O)Nc1ccccc1C=C1SC(S)=NC1=O |w:10.10,c:15|
BDBM50092275 SC1=NC(=O)C(S1)=Cc1cn(nn1)-c1ccccc1 |w:7.8,t:1|
BDBM50092276 SC1=NC(=O)C(S1)=CC=Cc1ccccc1 |w:7.8,9.10,t:1|
BDBM50092278 [O-][N+](=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
BDBM50092279 Oc1nc(S)sc1C=CCc1ccccc1 |w:8.9|
BDBM50115616 OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1
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|
BDBM50121955 c1ccc(cc1)-c1ccncc1
BDBM50129563 CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
BDBM50129564 CC1(C)[C@@H](N2[C@@H]([C@@]3(C[C@@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O
BDBM50129565 CC1(C)[C@@H](N2[C@@H]([C@]3(C[C@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O
BDBM50129566 CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
BDBM50129567 CC(C)(C)[Si](C)(C)O[C@H]1C[C@]11[C@@H]2N([C@@H](C(O)=O)C(C)(C)S2(=O)=O)C1=O
BDBM50129568 CC1(C)[C@@H](N2[C@@H]([C@]3(C[C@@H]3OC3CCCCC3)C2=O)S1(=O)=O)C(O)=O
BDBM50142711 CC1CS[C@@H](NC1C([O-])=O)c1nc(O)c([nH]c1=S)-c1ccccc1
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
BDBM212440 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(=O)(=O)O[Na] |r|
BDBM212441 CC1(Cn2ccnn2)[C@H](N2C(CC2=O)S1(=O)=O)C(=O)O[Na] |r|
BDBM50149467 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 |t:3|
BDBM50157687 Cc1cccc2sc3nc(\C=C4/[C@H]5SC=C(N5C4=O)C(=O)O[Na])cn3c12 |r,c:14|
BDBM50157688 Cc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16|
BDBM50157689 [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1ccccc21 |r,t:4|
BDBM50157691 COc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:17|
BDBM50157692 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na] |r|
BDBM50157693 [Na]OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c(n1)sc1cc(Cl)ccc21 |r,t:4|
BDBM50157694 Fc1ccc2c(c1)sc1nc(\C=C3/[C@H]4SC=C(N4C3=O)C(=O)O[Na])cn21 |r,c:16|
BDBM50191377 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3|
BDBM50191378 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3|
BDBM50191379 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCCn2n1 |t:3|
BDBM50191380 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCNCc2n1 |t:3|
BDBM50191381 COc1ccc(CN2CCc3sc(\C=C4/[C@H]5SC=C(N5C4=O)C([O-])=O)cc3C2)cc1 |c:17|
BDBM50191382 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(Cc3cccnc3)CCc2s1 |t:3|
BDBM50191383 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCSCc2n1 |t:3|
BDBM50191384 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCSCc2n1 |t:3|
BDBM50191385 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2COCCn2n1 |t:3|
BDBM50191386 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CCCCn2n1 |t:3|
BDBM50191387 CN1CCn2cc(\C=C3/[C@H]4SC=C(N4C3=O)C([O-])=O)nc2C1 |c:11|
BDBM50191388 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2OCCCn2n1 |t:3|
BDBM50191389 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CN(CCc2s1)c1cc2COCCc2s1 |t:3|
BDBM50191390 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CS(=O)(=O)CCn2n1 |t:3|
BDBM50202233 CC(=O)NCB(O)O
BDBM50218936 C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCC#N)C3=C(N2C1=O)C([O-])=O |c:15|
BDBM50218938 C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O |c:14|
BDBM50218939 CCCCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21|
BDBM50218932 CCCCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21|
BDBM50218934 C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14|
BDBM50218933 CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19|
BDBM50218935 CO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:18|
BDBM50218937 CCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19|
BDBM50240349 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O |r|
BDBM50244091 [NH3+]C(CC(O)=O)(CC(O)=O)C(O)=O
BDBM50244093 OC(C(CC([O-])=O)C([O-])=O)C([O-])=O
BDBM50284785 CC(=O)OCC1=C(N2[C@H](SC1)\C(=C/C([O-])=O)C2=O)C([O-])=O |t:5|
BDBM50284786 COC(=O)\C=C1/[C@@H]2N(C1=O)C(C([O-])=O)=C(COC(C)=O)CS2(=O)=O |t:14|
BDBM50284787 COC(=O)\C=C1/[C@H]2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O |c:14|
BDBM50284788 CC(C)(C)OC(=O)\C=C1/[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
BDBM50284792 CC(=O)OCC1=C(N2[C@@H](\C(=C/C([O-])=O)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50284793 CC(C)(C)OC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
BDBM50284794 CC(=O)OCC1=C(N2[C@@H](C(=C=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50284352 C\C=C1/O[C@@H]2CC(=O)N2[C@H]1C([O-])=O
BDBM50290038 C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(S2=O)C(C)(C)C |c:12|
BDBM50290039 C[C@@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O-])=O)C(C)(C)C |c:6|
BDBM50290040 C[C@@H](O)[C@@H]1[C@@H]2N(C1=O)C(C([O-])=O)=C(C(C)(C)C)S2(=O)=O |t:12|
BDBM50284783 CC(=O)OCC1=C(N2[C@@H](C(=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50284784 COC(=O)\C=C1/[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O
BDBM50284789 CC1(C)[C@@H](N2[C@@H](\C(=C/C([O-])=O)C2=O)S1(=O)=O)C([O-])=O
BDBM50284790 CC(=O)C=C1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O |w:3.2|
BDBM50284795 COC(=O)\C=C1/[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
BDBM50284796 CC1(C)S[C@H]2N([C@H]1C([O-])=O)C(=O)\C2=C\C([O-])=O
BDBM50309898 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCNCC1 |r|
BDBM50309899 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCNCC1 |r|
BDBM50309900 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CCCNCC1 |r|
BDBM50309901 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCCNC1 |r|
BDBM50309902 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CNCCNC1 |r|
BDBM50309903 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CNCCOC1 |r|
BDBM50309904 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CNCCOC1 |r|
BDBM50309905 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCCNC1=O |r|
BDBM50309906 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCCC1 |r|
BDBM50309907 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCNCCC1 |r|
BDBM50309908 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCC1 |r|
BDBM50309909 OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)NC1CCCCNCCC1 |r|
BDBM50327179 CC1(C)[C@H](NC(=O)C(=N/OCc2cc(=O)c(O)cn2O)\c2csc(N)n2)C(=O)N1OS(O)(=O)=O |r|
BDBM50322610 OP(O)(O)C(=S)c1ccccc1
BDBM50322611 OP(O)(=O)c1cc(F)ccc1S
BDBM50322612 OP(O)(O)C(=S)c1ccc(Cl)cc1Cl
BDBM50322613 COc1ccccc1C(=S)P(O)(O)O
BDBM50322600 OP(O)(O)C(=S)c1ccc(Br)cc1
BDBM50322601 OP(O)(O)C(=S)c1ccc(Cl)cc1
BDBM50322602 OP(O)(O)C(=S)c1ccc(F)cc1
BDBM50322603 CC(C)OP(=O)(OC(C)C)c1ccccc1S
BDBM50322604 OP(O)(=O)c1ccccc1S
BDBM50322605 CC(C)OP(=O)(OC(C)C)c1ccccc1CS
BDBM50322606 OP(O)(=O)c1ccccc1CS
BDBM50322607 CCC(S)P(=O)(OC(C)C)OC(C)C
BDBM50322608 CCC(=S)P(O)(O)O
BDBM50322609 CC(C)OP(=O)(OC(C)C)C(S)c1ccccc1
BDBM50315411 OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1
BDBM50339868 OB1OCc2ccc(Oc3ccc(cc3)C(O)=O)cc12
BDBM50339869 OB1OCc2ccc(Oc3cnc(cn3)C(O)=O)cc12
BDBM50339870 OB1OCc2ccc(Oc3ncc(cn3)C(O)=O)cc12
BDBM50339846 OB1OCc2ccc(Oc3ccccc3)cc12
BDBM50339847 OB1OCc2ccc(Sc3ccccc3)cc12
BDBM50339848 OB1OCc2ccc(Cc3ccccc3)cc12
BDBM50339849 OB1OCc2ccc(cc12)C(=O)c1ccccc1
BDBM50339850 OB1OCc2ccc(cc12)C(O)c1ccccc1
BDBM50339851 OB1OCc2ccc(cc12)S(=O)c1ccccc1
BDBM50339852 OB1OCc2ccc(cc12)S(=O)(=O)c1ccccc1
BDBM50339145 NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r|
BDBM50339853 OB1OCc2ccc(NC(=O)c3ccccc3)cc12
BDBM50339854 OB1OCc2ccc(cc12)C(=O)ONc1ccccc1
BDBM50339855 OB1OCc2ccc(Nc3ccccc3)cc12
BDBM50339856 COc1cccc(Oc2ccc3COB(O)c3c2)c1
BDBM50339857 Nc1cccc(Oc2ccc3COB(O)c3c2)c1
BDBM50339858 OCc1cccc(Oc2ccc3COB(O)c3c2)c1
BDBM50339859 NCc1cccc(Oc2ccc3COB(O)c3c2)c1
BDBM50339860 OB1OCc2ccc(Oc3cccc(OCc4ccccc4)c3)cc12
BDBM50339861 CN(C)Cc1cccc(Oc2ccc3COB(O)c3c2)c1
BDBM50339862 OB1OCc2ccc(Oc3cccc(c3)C(O)=O)cc12
BDBM50339863 COc1ccc(Oc2ccc3COB(O)c3c2)cc1
BDBM50339864 Nc1ccc(Oc2ccc3COB(O)c3c2)cc1
BDBM50339865 NCc1ccc(Oc2ccc3COB(O)c3c2)cc1
BDBM50339866 CN(C)Cc1ccc(Oc2ccc3COB(O)c3c2)cc1
BDBM50339867 CCOC(=O)c1ccc(Oc2ccc3COB(O)c3c2)cc1
BDBM50347180 CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(N)s1
BDBM50347181 CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cnc(NC(=O)C(Cl)(Cl)Cl)s1
BDBM50347182 CON=C(C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1 |w:2.1|
BDBM50347183 CO\N=C(/C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1
BDBM50347184 CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1cccs1
BDBM50347185 OP(=O)(CNC(=O)C(N=O)c1cccs1)Oc1ccc(C#N)c(F)c1
BDBM50347186 CO\N=C(/C(=O)NCP(O)(O)=O)c1cccs1
BDBM50347187 CO\N=C(\C(=O)NCP(O)(O)=O)c1cccs1
BDBM50355012 OC(=O)c1cccc(c1)C#Cc1ccccc1
BDBM50348183 OS(=O)(=O)N1[C@@H]2CCN[C@@H]2C1=O |r|
BDBM50348184 NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50348185 CC(C)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50348186 CN(C)CCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50348187 CN(C)CCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50348188 CN(C)CCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50348190 CNCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50347188 [O-]P(=O)(CNC(=O)C(=N/OCCC[n+]1ccccc1)\c1cccs1)Oc1ccc(C#N)c(F)c1
BDBM50347189 CO\N=C(\C(=O)NCP(O)(=O)Oc1ccc(C#N)c(F)c1)c1ccc(Cl)s1
BDBM50348177 C[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348178 C[N+]1(C)CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348179 OCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348180 OCCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348181 NCC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348182 CN(C)CC[NH+]1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S([O-])(=O)=O |r|
BDBM50348189 CNCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O |r|
BDBM50374362 OC(=O)c1csc(n1)C(=O)CNC(=O)Cc1ccccc1
BDBM50407935 C[C@]1(\C=C\C(N)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
BDBM50408523 [NH-]C(=O)c1ccc[n+](CC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S([O-])(=O)=O)c1
BDBM50421413 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O |r|
BDBM50447647 N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(O)(=O)=O)cc1)C(O)=O |r|
BDBM50447648 Cn1ccc(cc1)=[NH+]C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS([O-])(=O)=O |r,wD:13.14,10.10,(33.1,-24.04,;34.44,-24.81,;34.43,-26.35,;35.77,-27.12,;37.11,-26.35,;37.1,-24.8,;35.76,-24.04,;38.44,-27.12,;39.77,-26.35,;39.77,-24.81,;41.1,-27.13,;42.44,-26.37,;43.76,-27.16,;43.74,-28.7,;42.4,-29.45,;41.08,-28.66,;41.47,-30.15,;40.38,-31.23,;43.01,-30.15,;43.82,-31.46,;45.36,-31.41,;46.09,-30.06,;45.35,-32.95,;46.89,-31.41,)|
BDBM50447649 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)Nc2ccncc2)C1=O |r|
BDBM50447650 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCNC2)C1=O |r|
BDBM50447651 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O |r|
BDBM50447652 OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)N[C@H]2CCCNCC2)C1=O |r|
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|
BDBM227598 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCn2n1 |r,t:3|
BDBM227599 [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCOCc2n1 |r,t:3|
BDBM50089385 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[nH]1
BDBM50089386 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[nH]1
BDBM50089387 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+]([O-])=O)[nH]1
BDBM50089388 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)[nH]1
BDBM50089390 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)[nH]1
BDBM50089391 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1
BDBM50089392 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)[nH]1
BDBM50089393 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(c2)[N+]([O-])=O)[nH]1
BDBM50089394 OC(=O)CCc1nnc(SCC(=O)Nc2ccccc2)[nH]1
BDBM50089395 OC(=O)CCc1nnc(SCC(=O)Nc2nc3ccccc3[nH]2)[nH]1
BDBM50089396 OC(=O)CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)[nH]1
BDBM197302 OC(=O)c1ccccc1
BDBM50129062 [H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H] |r,t:11|
BDBM50129081 OC(=O)CCCc1c[nH]c2ccccc12
BDBM50089389 OC(=O)c1ccccc1-c1nnc(SCC(=O)Nc2nc3ccccc3[nH]2)[nH]1
BDBM50195794 OC(=O)c1cccc(c1)-c1ccncc1
BDBM50195797 OC(=O)c1ccc2ccncc2c1
BDBM50195798 CC(=O)c1cccc(c1)-c1ccncc1
BDBM50212634 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nc3ccccc3o1)S2(=O)=O
BDBM50212637 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSC1=NCCS1)S2(=O)=O |t:15|
BDBM50212639 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nccn1C)S2(=O)=O
BDBM50212640 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nncn1C)S2(=O)=O
BDBM50212641 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50212644 [H][C@]12S[C@@](C)(CSc3nccn3C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50212645 [H][C@]12S[C@@](C)(CSc3nc[nH]n3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50195792 OC(=O)c1cccc(c1)-c1cccnc1
BDBM50195795 Nc1cccnc1-c1cccc(c1)C(O)=O
BDBM50195789 OC(=O)c1cccc(c1)-c1nccs1
BDBM50195790 Cc1cc2ccc(cc2cn1)C(O)=O
BDBM50195791 OC(=O)c1ccc2[nH]ccc2c1
BDBM50212635 [H][C@]12S[C@@](C)(CSc3nnnn3C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50212636 [H][C@]12S[C@@](C)(CSC3=NCCS3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O |t:7|
BDBM50212638 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nnnn1C)S2(=O)=O
BDBM50212642 [H][C@]12S[C@@](C)(CSc3nc4ccccc4o3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50212643 [H][C@]12S[C@@](C)(CSc3nc4ccccc4s3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
BDBM50212646 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSc1nc3ccccc3[nH]1)S2(=O)=O
BDBM50195793 OC(=O)c1cccc(c1)-c1ccccc1
BDBM50195796 OC(=O)c1cc(cc(c1)-c1ccncc1)-c1ccncc1
BDBM50222458 O=C(N1CCS1(=O)=O)c1ccccc1
BDBM50222459 CC(C)C1CN(C(=O)c2ccccc2)S1(=O)=O