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238 SMILES Strings for Beta-lactamase (TEM-1)

Compound NameSMILES String
BDBM26996 OB(O)c1ccccc1
BDBM26126 OB(O)c1cccc(c1)-c1ccccc1
BDBM26133 COc1ccc(cc1)B(O)O
BDBM26139 OB(O)c1cc2ccccc2s1
BDBM26142 OB(O)CCc1ccccc1
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
BDBM50022785 Cc1ccc(cc1N1CCC1=O)C(O)=O
BDBM50022786 Cc1ccc(cc1N1CC(F)C1=O)C(O)=O
BDBM50022787 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r|
BDBM50022788 Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl |r|
BDBM50022789 OC(=O)c1ccc2C(F)CC3CC(=O)N3c2c1
BDBM50022790 OC(=O)c1ccc2CCC3CC(=O)N3c2c1
BDBM50022791 Cc1ccc(cc1N1CC(Br)(Br)C1=O)C(O)=O
BDBM50022792 OC(=O)c1ccc2C(Cl)CC3CC(=O)N3c2c1
BDBM50022793 Cc1ccc(cc1N1CC(F)(F)C1=O)C(O)=O
BDBM50022794 Cc1ccc(cc1N1CC(Br)C1=O)C(O)=O
BDBM50022795 Cc1ccc(cc1N1CC(F)(Br)C1=O)C(O)=O
BDBM50021954 CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM50021955 C[C@]1(Cn2cc(N)nn2)[C@@H](C2C(CC2=O)S1(=O)=O)C(O)=O
BDBM50021956 C[C@]1(Cn2ccnn2)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
BDBM50021957 COC(=O)c1nnn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)c1C(=O)OC
BDBM50021958 CCOC(=O)c1cn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)nn1
BDBM50021959 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
BDBM50021960 COC(=O)c1cnnn1C[C@@]1(C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
BDBM50021961 C[C@]1(Cn2cc(nn2)C([O-])=O)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
BDBM50021962 C[C@]1(Cn2nncc2C([O-])=O)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
BDBM50021963 COC(=O)c1cn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)nn1
BDBM50021964 C[C@]1(Cn2cc(nn2)[Si](C)(C)C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
BDBM50021965 CCOC(=O)c1cnnn1C[C@@]1(C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
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|
BDBM50067906 Nc1cccc(c1)B(O)O
BDBM50067887 O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O
BDBM50067892 OB(O)c1ccc(Br)cc1
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|
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
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|
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
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|
BDBM50112047 C\C=C1/[C@H]2C3CSCCC3=C(N2C1=O)C([O-])=O |c:10|
BDBM50112048 C\C=C1/[C@@H]2C3CCCCC3=C(N2C1=O)C([O-])=O |c:10|
BDBM50112049 C\C=C1/[C@H]2C3CCCCC3=C(N2C1=O)C([O-])=O |c:10|
BDBM50112051 C\C=C1/[C@@H]2C3CSCCC3=C(N2C1=O)C([O-])=O |c:10|
BDBM50115616 OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1
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
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|
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|
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|
BDBM50225385 OB(O)c1cc2cc(CNc3ccc(cc3)N3CCOCC3)ccc2s1
BDBM50225387 COc1ccc(NCc2ccc3sc(cc3c2)B(O)O)cc1OC
BDBM50225388 OB(O)C1=CCCS1 |t:3|
BDBM50225389 OB(O)c1cc2cc(Cn3ccnc3)ccc2s1
BDBM50225390 CC(=O)c1ccc(NCc2ccc3sc(cc3c2)B(O)O)cc1
BDBM50225391 OB(O)c1cc2cc(COCc3ccccc3)ccc2s1
BDBM50225392 OB(O)c1cc2cc(O)ccc2s1
BDBM50225393 OB(O)c1cc2cc(CNCC(O)=O)ccc2s1
BDBM50225371 Cc1ccc2sc(cc2c1)B(O)O
BDBM50225372 OCCN(CCO)Cc1ccc2sc(cc2c1)B(O)O
BDBM50225373 OB(O)c1cc2cc(CNc3ccc(Cl)c(Cl)c3)ccc2s1
BDBM50225377 OB(O)c1cc2cc(COc3ccc(Cl)c(Cl)c3)ccc2s1
BDBM50225379 OB(O)c1cc2cc(CNc3cccc(c3)[N+]([O-])=O)ccc2s1
BDBM50225380 OB(O)c1cc2cc(CNc3cccc(c3)B(O)O)ccc2s1
BDBM50225381 OB(O)c1cc2cc(CNc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)ccc2s1
BDBM50225374 Nn1cn[n+](Cc2ccc3sc(cc3c2)B(O)O)c1
BDBM50225375 Nc1ccc2sc(cc2c1)B(O)O
BDBM50225376 OB(O)c1cc2cc(Br)ccc2s1
BDBM50225378 OB(O)c1cc2cc(CN(C=O)C=O)ccc2s1
BDBM50225382 OB(O)c1cc2cc(CN3CCNCC3)ccc2s1
BDBM50225383 OB(O)c1cc2cc(CSc3ccccc3)ccc2s1
BDBM50225384 OB(O)c1cc2cc(CNC=O)ccc2s1
BDBM50225386 OB(O)c1cc2cc(COc3ccccc3)ccc2s1
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
BDBM50282561 OB(O)CCc1ccc(cc1)C(O)=O
BDBM50282562 OB(O)CCc1ccc(Cl)cc1
BDBM50282563 OB(O)CCc1ccc2ccccc2c1
BDBM50282564 OB(O)c1ccc(Cl)cc1Cl
BDBM50282565 OB(O)CCc1ccccc1Cl
BDBM50282566 Cc1cccc(CCB(O)O)c1
BDBM50282567 OB(O)c1ccc(Cl)c(Cl)c1
BDBM50282568 OB(O)CCC1CCCCC1
BDBM50282569 OB(O)CCc1ccc(cc1)C(F)(F)F
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
BDBM50282570 Cc1ccc(CCB(O)O)cc1
BDBM50282571 OB(O)c1cccc(Br)c1
BDBM50282572 Cc1ccccc1CCB(O)O
BDBM50282573 OB(O)c1ccc(F)c(Cl)c1
BDBM50282574 OB(O)CCc1cccc2ccccc12
BDBM50284794 CC(=O)OCC1=C(N2[C@@H](C(=C=C)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50282575 COc1cccc(CCB(O)O)c1
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
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|
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|
BDBM178212 CCCC(CO)=C1O[C@@H]2CC(=O)N2C1C([O-])=O |w:6.14|
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
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
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