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244 SMILES Strings for lens epithelium-derived growth factor p75

Compound NameSMILES String
BDBM50731 Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccoc2)C1=O |w:14.15|
BDBM4293 Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM12590 Nc1ccc2cc3ccc(N)cc3nc2c1
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM23412 COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
BDBM40732 NC(N[N+]([O-])=O)=NNC=c1ccc(o1)=C1C=CC(=O)C(=C1)C(O)=O |w:6.6,8.7,14.21,c:16,20|
BDBM29680 COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
BDBM31715 OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O |w:14.15|
BDBM31757 OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|
BDBM30891 Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
BDBM33116 Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1
BDBM33154 Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1
BDBM33090 CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:9.9,2.1|
BDBM33113 Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
BDBM33192 CC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(cc1)[N+]([O-])=O |w:2.2|
BDBM32310 Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
BDBM34702 CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:8.8,1.0|
BDBM34678 Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
BDBM34753 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM34795 Oc1cccc(C=NNC(=S)Nc2cccnc2)c1O |w:7.7|
BDBM34804 [#8]-c1ccc(-[#6]=[#7]\[#7]=[#6](/c2ccccc2)-c2ccccc2)c(-[#8])c1-[#8] |w:6.6|
BDBM34809 Oc1ccc(C=NNC(=O)CCc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(O)c1O |w:6.6|
BDBM34839 Oc1ccc(C=NNC(=O)CCN2CCN(CC2)c2ccccc2)c(O)c1O |w:6.6|
BDBM34840 CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1ccc(O)c(O)c1O |w:15.16|
BDBM34967 COCCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
BDBM34972 Oc1ccc(C=NNC(=O)Cc2csc(n2)N2CCOCC2)c(O)c1O |w:6.6|
BDBM35463 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
BDBM41028 CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
BDBM40697 Oc1ccc(cc1O)-c1cn2CCSc2n1
BDBM40225 O=Cc1ccc2oc3nc4SCCCn4c(=O)c3c(=O)c2c1
BDBM39953 O=C(COC(=O)CCC(=O)c1cccs1)NCc1ccco1
BDBM40124 Oc1ccc(C=Nc2ccc(cc2)N2CCOCC2)c(O)c1 |w:6.6|
BDBM42643 Brc1ccc(o1)-c1nn2c(nnc2s1)-c1ccco1
BDBM42035 COc1ccc(NS(=O)(=O)c2ccc3N[C@@H]([C@@H]4CC=C[C@@H]4c3c2)c2ccc(cc2)C(O)=O)cc1 |c:18|
BDBM41892 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C
BDBM46141 O=C1CC(=O)N(Cc2ccco2)C(=O)N1
BDBM47961 Cc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)o1
BDBM48366 Nc1nc(-c2ccco2)c(s1)-c1ccco1
BDBM48428 Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
BDBM48817 OC(=O)c1cccc(c1)-c1ccc(\C=C2\N=C(OC2=O)c2cccs2)o1 |c:16|
BDBM48826 CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:11|
BDBM48795 OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:14.15|
BDBM47669 OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|
BDBM46590 NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O |w:8.7|
BDBM46591 Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1 |w:7.7|
BDBM51295 Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
BDBM50023 O=C(CSc1ncnc2sccc12)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
BDBM50024 O=C(Nc1nc(-c2ccco2)c(s1)-c1ccco1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
BDBM50300 Cc1cc(C(=O)N\[NH+]=C\[c-]2ccc(=O)c(c2)[N+]([O-])=O)c(C)n1-c1ccc(F)cc1
BDBM50200 COCCCNC(=O)C(=C\c1ccc(OCC(O)=O)c(OC)c1)\C#N
BDBM50201 NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:15.15|
BDBM50328 Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1CC=C
BDBM50264 Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1 |w:12.13,14.15,t:6|
BDBM50265 O=C1N=C(Nc2ccccc2)SC1=CC=Cc1ccco1 |w:13.15,15.17,t:2|
BDBM50280 Cc1csc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)n1
BDBM50571 Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
BDBM50578 OCC1OC(OC(CCc2ccccc2)CC(O)=O)C(O)C(O)C1O
BDBM50473 OC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM50511 OCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM50610 C\C=C\C=C\C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
BDBM50620 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM50648 O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1
BDBM50483 CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)cc1
BDBM50485 COc1ccc(cc1)C(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
BDBM50892 S=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM50656 Oc1ccccc1C(=O)NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
BDBM50533 COc1ccc([CH+][N-]NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cc(cn1)[N+]([O-])=O
BDBM50662 C(=C/c1ccc2ccccc2n1)\c1ccco1
BDBM50708 CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2ccc(O)c(O)c2O)c1 |w:15.14|
BDBM50711 COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
BDBM50713 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C(C)=C)C(N)=O)C1 |t:13|
BDBM50715 C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15|
BDBM50728 OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccccc1 |w:14.15|
BDBM50604 C\C=C(/C)C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:16|
BDBM50629 Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
BDBM50384 Cc1ccc(C)n1-c1sccc1-c1cc2nc(C)cc(=O)n2[nH]1 |(13.85,-2.9,;12.31,-2.9,;11.41,-4.14,;9.94,-3.67,;9.94,-2.13,;8.7,-1.22,;11.41,-1.65,;11.88,-.18,;13.35,.29,;13.35,1.83,;11.88,2.31,;10.98,1.06,;9.44,1.06,;8.54,-.18,;7.08,.29,;5.75,-.48,;4.41,.29,;3.08,-.48,;4.41,1.83,;5.75,2.6,;5.75,4.14,;7.08,1.83,;8.54,2.3,)|
BDBM50387 Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6|
BDBM50394 COc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1 |w:13.14,15.16,t:7|
BDBM50433 [#8]-c1ccc(cc1)-n1cccc1\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O
BDBM50567 OC(=O)Cc1c[nH]c2cccc(O)c12
BDBM50785 CCOC(=O)C1CCCN(C1)c1nc2ccccc2nc1C(C#N)C(=O)NCc1ccccc1
BDBM49124 CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
BDBM53380 [H][C@]1(c2cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O
BDBM53382 CN(C)[C@H]1C2C(O)C3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
BDBM53474 CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2)c1=O
BDBM53399 Oc1ccc(CN=Nc2ccc(Cl)nn2)c(O)c1O |w:7.7|
BDBM52287 OC(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccco1
BDBM52267 CCOC(=O)C1=C(C)OC(=N)C(C#N)C1c1ccc(O)c(OC)c1 |c:5|
BDBM53191 Cc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1O |w:12.13|
BDBM52759 COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)c(O)c2o1
BDBM53267 OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
BDBM53017 CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1
BDBM52840 Nc1cccc2ccc(cc12)[As](O)(O)=O
BDBM53139 OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:14.14|
BDBM53174 c1coc(c1)-c1nnc(nn1)-c1ccco1
BDBM53027 CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:16.17|
BDBM53178 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|
BDBM52741 Nc1ccc2C(=O)\C(Cc2c1)=C/c1ccco1
BDBM52817 OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
BDBM52992 Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
BDBM54768 CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO
BDBM54904 COc1cc(CC(=O)NCc2ccc3OCOc3c2)cc(OC)c1OC
BDBM54907 Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1
BDBM55150 Oc1ccc(C=NN=Cc2ccc(O)c(O)c2)cc1O |w:6.6,8.8|
BDBM54921 CC1(C)OC(C)(C)C(=CNc2ccc(O)cc2)C1=O |w:8.8|
BDBM55038 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
BDBM54935 CC1=CC(C)(C)N2C(=O)\C(=N\c3ccc(O)cc3)c3cccc1c23 |t:1|
BDBM54088 OC(=O)c1ccccc1NC(=O)CCCN1C(=S)S\C(=C/c2ccco2)C1=O
BDBM60983 COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
BDBM60881 Oc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1O |w:6.6|
BDBM60895 OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
BDBM60722 OCC1OC(C(O)C(O)C1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
BDBM60724 OCC1OC(C(O)C(O)C1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
BDBM60729 Oc1ccc(C=NNC2=c3ccccc3=NC2=O)cc1O |w:6.6,c:8,15|
BDBM60758 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
BDBM60915 Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
BDBM60504 OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
BDBM60673 Oc1ccc(C=NNC(=O)CSc2nc3ccccc3o2)cc1O |w:6.6|
BDBM60675 NC1=NC(=O)C(S1)=Cc1ccco1 |w:7.8,t:1|
BDBM60061 Oc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1O |w:6.6|
BDBM60006 Oc1ccc(C=NNC(=S)Nc2cccnc2)cc1O |w:6.6|
BDBM59906 Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3ccco3)C2=O)cc1
BDBM61867 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
BDBM61724 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C2(C)CC2)C(N)=O)C1 |t:13|
BDBM61877 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
BDBM61882 CC(=NNC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 |w:2.2|
BDBM61884 Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
BDBM61326 Oc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(O)cc2O)c(O)c1 |w:6.6,13.12|
BDBM61160 CCCCCn1c(NC(=O)c2ccco2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
BDBM61305 COc1cc(OC)c2C(=O)CC(Oc2c1O)c1ccccc1
BDBM61306 COc1cc(C)cc(C(O)=O)c1C1C(=O)C(=O)c2c(O)cccc2C1=O
BDBM64563 Cc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
BDBM65750 Fc1ccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
BDBM65751 Fc1cccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
BDBM64786 COc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
BDBM69771 COCCN(CCOC)Cc1c2O\C(=C/c3ccco3)C(=O)c2ccc1O
BDBM76201 Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1O
BDBM76204 OC(=O)c1cc(O)ccc1NC(=O)CCN1C(=S)S\C(=C/c2ccco2)C1=O
BDBM76207 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nccs3)sc12
BDBM76182 Oc1c[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)ccc1=O |w:5.5|
BDBM81247 Cc1cnc(C=NNC(N)=S)c2cccc(N)c12 |w:6.6|
BDBM80747 Oc1ccc(c2ccc(Nc3ccccc3)cc12)S(O)(=O)=O
BDBM80810 NC1=C(Cl)C(=O)c2ccc(cc2C1=O)S(N)(=O)=O |c:1|
BDBM81264 NCCc1cc(O)c(O)cc1O
BDBM81275 CN(C)c1ccc2nc3ccc(=O)cc3sc2c1
BDBM80828 O=C1C(CCC1=Cc1ccco1)=Cc1ccco1
BDBM80758 COC1=CC(=O)C(=CC1=O)C1CC(=O)c2c(O)cc(O)cc2O1 |c:6,t:2|
BDBM80760 COP(=O)(OC)c1ccc(NCc2cc(O)ccc2O)cc1
BDBM80466 CC(=O)Nc1ccc2c(COC(=O)CC3Sc4ccccc4NC3=O)cc(=O)oc2c1
BDBM83713 Oc1ccc2C3c4cc(O)c(O)cc4CC3(O)COc2c1
BDBM83184 O=C(COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12)NC1CCCC1
BDBM83180 CCOc1ccc(Nc2ccc(N)c(c2)S(O)(=O)=O)cc1
BDBM83190 CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C\c3ccco3)c2nc2ccccc12
BDBM82809 NC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 |w:8.7|
BDBM82819 [#6]C1([#6])[#8]-[#6](=O)\[#6](=[#6]/c2ccc(o2)-c2ccc(Cl)c(c2)-[#6](-[#8])=O)-[#6](=O)-[#8]1
BDBM82929 OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
BDBM82977 COc1ccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c(OC)c1
BDBM82980 COC(=O)c1ccc(C)c(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1
BDBM82982 Cc1csc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)n1
BDBM84978 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM85123 OC1C(=O)C(Oc2cc(O)c(O)cc12)c1ccc(O)c(O)c1
BDBM84007 Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:23|
BDBM83997 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(C(O)=O)c(O)c1
BDBM84369 OCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Cl |c:16|
BDBM84370 OCCOCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Br |c:19|
BDBM89207 COC(=O)C1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM89224 c1coc(c1)-c1ccc2nncn2c1
BDBM89218 COc1cc(\C=C\C=C2\CC\C(=C\C=C\c3ccc(O)c(OC)c3)C2=O)ccc1O
BDBM87365 NC(=S)NN=Cc1nccc2c(N)cccc12 |w:4.3|
BDBM87457 OC1CC(CC(O)C1OC(=O)\C=C\c1ccc(O)c(O)c1)(OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |(6.57,-.33,;7.91,.44,;7.91,1.98,;9.24,2.75,;10.58,1.98,;10.58,.44,;11.91,-.33,;9.24,-.33,;9.24,-1.87,;7.91,-2.64,;6.57,-1.87,;7.91,-4.18,;6.57,-4.95,;6.57,-6.49,;7.91,-7.26,;7.91,-8.8,;6.57,-9.57,;6.57,-11.11,;5.24,-8.8,;3.91,-9.57,;5.24,-7.26,;10.01,4.09,;11.55,4.09,;12.32,2.75,;12.32,5.42,;13.86,5.42,;14.63,6.76,;13.86,8.09,;14.63,9.42,;16.17,9.42,;16.94,10.76,;16.94,8.09,;18.48,8.09,;16.17,6.76,;8.47,4.09,;6.93,4.09,;9.24,5.42,)|
BDBM88962 Nc1nc(cs1)C(=N/OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:23|
BDBM91515 NC1=CC(=O)C(=O)c2cccnc12 |t:1|
BDBM91500 [O-][N+](=O)c1cc(Br)c(=O)[c-](\C=[NH+]\c2ccc(cc2)N2CCOCC2)c1
BDBM37534 CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
BDBM93511 Fc1ccc(\C=C2\CN(C\C(=C\c3ccc(F)cc3)C2=O)C(=O)C=C)cc1
BDBM96367 Oc1cc(cc(O)c1O)C(=O)N\N=C\c1cccnc1
BDBM96368 CC1CCCC(C)N1N=Cc1ccc(O)c(O)c1 |w:8.8|
BDBM96321 COc1ccc(\C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1CN1CCN(CC1)c1ccc(F)cc1
BDBM95464 OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
BDBM95768 OCC1OC(OC2C(O)C(O)C(CO)OC2Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)C(O)C(O)C1O
BDBM94661 COc1ccc(\C=C2/C(=O)NC(=O)c3ccccc23)cc1OC
BDBM97032 Cl.CCN(CC)CCCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31
BDBM114203 CCOC(=O)c1cc2n([n+]1C)c1ccccc1c2=Cc1ccc(cc1)N(C)C
BDBM114204 Cn1c2cc(N)ccc2cc2ccc(=[NH2+])cc12
BDBM114205 O=C1CC(=O)c2[nH]c(=O)ccc2C1=O
BDBM114257 Oc1cc2c(c(O)c1O)c1oc(=O)c(O)cc1oc2=O
BDBM114290 Oc1ccc(N=Nc2cc(Cl)cc(c2O)S(O)(=O)=O)c(O)c1 |w:6.6|
BDBM114291 OC(=O)c1cccc2cccc(-c3c4ccc(O)c(O)c4oc4c(O)c(=O)ccc34)c12 |(4.7,1.65,;6.16,1.41,;6.69,.02,;7.1,2.55,;6.56,3.99,;7.55,5.17,;9.07,4.89,;9.57,3.44,;11.03,3.18,;11.53,1.79,;10.58,.66,;9.13,.92,;8.18,-.22,;9.46,-.96,;10.78,-.17,;12.12,-.93,;12.12,-2.47,;13.4,-3.21,;10.78,-3.23,;10.76,-4.7,;9.46,-2.44,;8.18,-3.17,;6.9,-2.44,;5.57,-3.23,;5.59,-4.7,;4.23,-2.47,;2.96,-3.21,;4.23,-.93,;5.57,-.17,;6.9,-.96,;8.62,2.3,)|
BDBM115121 S=c1[nH]nc(-c2ccco2)n1N=CC=Cc1ccco1 |w:11.12,14.16|
BDBM115122 Cc1ccc(\C=C\C(=O)NCc2ccco2)o1
BDBM115127 OC(=O)c1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
BDBM115128 CC1OC(OCC2OC(Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O
BDBM115126 Cc1cc(c(C)n1Cc1ccco1)-c1csc(N)n1
BDBM115129 OC(=O)c1cccc(c1)-n1cccc1\C=C\[N+]([O-])=O
BDBM115130 CC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2cc(O)c(O)c(O)c2)C(O)C(O)C1O
BDBM115131 Nc1c(oc2nc(cc(-c3ccco3)c12)-c1ccco1)C(=O)N\N=C\c1cccnc1
BDBM115132 CCCNC1=C(C)C(=O)C2=C(C(COC(N)=O)[C@]3(OC)C4NC4CN23)C1=O |c:4,t:9|
BDBM115134 COCCN(CCOC)Cc1c2O\C(=C/c3ccc(C)o3)C(=O)c2ccc1O
BDBM115137 Cc1ccc(o1)-c1nn(cc1\C=C1/SC(=S)N(CCCCCC(O)=O)C1=O)-c1ccccc1
BDBM115143 CN(C)C1C2C(O)C3C(C(=O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(C(N)=O)C1=O
BDBM115144 OCC1OC(C(O)C(O)C1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O
BDBM115146 Cc1ccc(o1)-c1csc(NS(=O)(=O)c2cccc(F)c2)n1
BDBM115148 CCN(CC)c1ccc(cc1)\N=C1/C=CC(=O)C=C1NC(C)=O |c:14,18|
BDBM115135 Oc1ccc(cc1O)C(=O)Cn1cnc(n1)[N+]([O-])=O
BDBM115136 [O-][N+](=O)c1ccc(\C=C\C=N/NC(=O)c2cccs2)o1
BDBM115149 CN(C)c1ccc2cc(cc(O)c2c1)S(O)(=O)=O
BDBM115150 Oc1cccc(CN2CCOCC2)c1O
BDBM115151 Oc1ccc(N=Nc2c(O)cc(c3ccccc23)S(O)(=O)=O)c(O)c1 |w:6.6|
BDBM115152 CC(=C)C(=O)Oc1ccc(ccc1=O)\N=N\c1ccc(C)cc1
BDBM115153 COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(OC3CC(O)C(OC)C(C)O3)C(O)C(C)O2)C(O)C(C)O1)C(=O)C(O)C(C)O
BDBM115154 NNc1cccc(C=Cc2ccccc2)cc1=O
BDBM115155 COc1ccc2[nH+]c3c(C)c4ccn(C)cc4c(C)c3c2c1
BDBM115156 COC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1cc2OCOc2cc1[N+]([O-])=O |c:4|
BDBM115157 CCOc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1OCC
BDBM115158 Cn1cccc1CC(=O)NN=C\C=C/c1ccco1
BDBM115159 Cc1sc2nc(SCC(=O)c3ccc(O)c(O)c3)n(C)c(=O)c2c1C
BDBM115115 O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1nnnn1Cc1ccco1)Cc1cccnc1
BDBM115114 Oc1ccc(C=Nc2cccc3ncccc23)c(O)c1 |w:6.6|
BDBM115118 Oc1ccc(cc1)N1C(=O)S\C(=C/C=C/c2ccco2)C1=O
BDBM115119 COc1ccccc1OCC(=O)N\N=C\C=C\c1ccc(o1)[N+]([O-])=O
BDBM115120 O[C@H]1Cc2c(O)cc3O[C@H](c4ccc(O)cc4)[C@]4(Oc5cc(O)cc(O)c5C4=O)c3c2O[C@@H]1c1ccc(O)cc1
BDBM115116 NC(=O)CC1Nc2cccc3cccc(NC1=O)c23
BDBM115117 CC(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccco1
BDBM115123 COc1ccc(\C=C\C(=O)N2CCCc3ccccc23)cc1
BDBM115124 O=C1CC(=Cc2c([nH]n(-c3ccccc3)c2=O)-c2ccccc2)C=CC1=O |w:4.4,c:26|
BDBM115125 Oc1ccc(NCc2cccc(OCc3ccccc3)c2)cc1
BDBM50027326 Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1O
BDBM50046757 NC(=O)C(=C\c1cc(O)c(O)c(O)c1)\C#N
BDBM50056938 Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
BDBM50059986 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
BDBM60928 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O |r|
BDBM50240896 COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1
BDBM50241867 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50259862 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)cc3)c2o1 |(4.11,-9.88,;3.39,-11.25,;4.21,-12.55,;3.49,-13.91,;1.94,-13.97,;1.13,-12.67,;1.84,-11.31,;1.22,-15.32,;2.03,-16.61,;1.32,-17.95,;2.13,-19.25,;-.19,-18,;-.92,-19.36,;-.11,-20.67,;-2.45,-19.41,;-3.25,-18.11,;-4.31,-19.19,;-2.52,-16.76,;-3.32,-15.46,;-3.32,-13.91,;-4.67,-13.14,;-6,-13.93,;-7.34,-13.16,;-8.67,-13.94,;-10.01,-13.17,;-8.67,-15.48,;-7.34,-16.25,;-7.34,-17.8,;-6,-15.48,;-4.66,-16.24,;-4.56,-17.65,;-2.16,-12.91,;-.7,-13.43,;.47,-12.42,;.18,-10.91,;1.35,-9.9,;-1.28,-10.4,;-2.45,-11.41,;-1,-16.72,;-.3,-15.38,)|
BDBM50253593 Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1C |w:12.13,14.15,t:6|
BDBM50241461 CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|
BDBM50328746 Oc1cc(cc2ccc(Nc3ccccc3)cc12)S(O)(=O)=O
BDBM179820 CCCC(C(O)=O)c1c(C)nc2cc3CCCCc3cc2c1-c1ccc(C)cc1
BDBM179821 Cc1ccc(cc1)-c1c(C(OC(C)(C)C)C(O)=O)c(C)nc2cc3CCCCc3cc12
BDBM179822 CCCC(C(O)=O)c1c(C)nc2ccc3CCCCc3c2c1-c1ccc(C)cc1
BDBM179831 CCCC(C(O)=O)c1c(C)nc2cc3CCCc3cc2c1-c1ccc(C)cc1
BDBM179842 CCCC(C(O)=O)c1c(C)nc2ccc3CCCc3c2c1-c1ccc(C)cc1
BDBM179866 CCCC(C(O)=O)c1c(C)nc2c3ccccc3nn2c1-c1ccc(C)cc1