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668 SMILES Strings for Protein-glutamine gamma-glutamyltransferase 2

Compound NameSMILES String
BDBM11022 O=C1Nc2ccccc2C1=O
BDBM22813 Clc1ccc2NC(=O)C(=O)c2c1
BDBM22814 Brc1ccc2NC(=O)C(=O)c2c1
BDBM22815 Ic1ccc2NC(=O)C(=O)c2c1
BDBM24778 CC1=CC(=O)c2ccccc2C1=O |t:1|
BDBM59173 BrC1=NOC(CNC(=O)[C@H](CCc2ccccc2)NC(=O)OCc2ccccc2)C1 |r,t:1|
BDBM59174 Oc1ccc(CC[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)cc1 |r,c:27|
BDBM59175 Fc1ccc(CC[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)cc1 |r,c:27|
BDBM59176 Fc1cccc(CC[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)c1 |r,c:28|
BDBM59177 Oc1ccc2[nH]cc(C[C@H](NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c2c1 |r,c:29|
BDBM59179 BrC1=NOC(CNC(=O)[C@H](CC(=O)NCc2ccccc2)NC(=O)OCc2ccccc2)C1 |r,t:1|
BDBM59180 BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1 |r,t:1|
BDBM59181 C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1CC(Br)=NO1 |r,c:21|
BDBM59182 BrC1=NOC(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1 |r,t:1|
BDBM59183 CN(CC1CC(Br)=NO1)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r,c:6|
BDBM59184 CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CC(Br)=NO1 |r,c:20|
BDBM59185 Oc1ccc(C[C@H](NC(=O)Oc2ccncc2)C(=O)NCC2CC(Br)=NO2)cc1 |r,c:25|
BDBM59186 BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2cccnc2)C1 |r,t:1|
BDBM59187 BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCCc2ccccc2)C1 |r,t:1|
BDBM59188 BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccc3ccccc3c2)C1 |r,t:1|
BDBM59189 BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCC2=Cc3ccccc3S2(=O)=O)C1 |r,t:1,23|
BDBM59190 Oc1ccc2[nH]cc(C[C@H](NC(=O)OCC3=Cc4ccccc4S3(=O)=O)C(=O)NCC3CC(Br)=NO3)c2c1 |r,c:35,t:15|
BDBM81791 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
BDBM81347 CN(N=O)c1ccc(O)c(O)c1
BDBM81348 CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5|
BDBM50132009 CC(=O)C=C1C(=O)Nc2ccccc12 |w:3.2|
BDBM204908 NS(=O)(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM50163944 CN(CC(=O)NN)c1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
BDBM50163945 CCCN1CCc2c(C1)sc1nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c21
BDBM50163946 NNC(=O)CSc1nc2sc3CCCC(Cc4ccccc4)c3c2c(=O)n1-c1cccc(F)c1
BDBM50163947 CC(C)c1csc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c12
BDBM50163948 COc1cccc(c1)-n1c(SCC(=O)NN)nc2scc(-c3ccccc3)c2c1=O
BDBM50163949 NNC(=O)COc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
BDBM50163950 COc1cccc(c1)-c1csc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c12
BDBM50163951 NNC(=O)CSc1nc2scc(-c3ccccc3O)c2c(=O)n1-c1cccc(F)c1
BDBM50163952 CNC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-c1ccc(F)cc1
BDBM50163953 COc1ccc(cc1)-n1c(SCC(=O)NN)nc2scc(-c3ccccc3)c2c1=O
BDBM50163954 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1Cl |(7.13,-2.81,;5.8,-2.03,;4.45,-2.81,;4.45,-4.35,;3.12,-2.03,;1.78,-2.81,;.44,-2.03,;-.9,-2.79,;-2.21,-2.03,;-3.69,-2.5,;-4.6,-1.25,;-3.69,-.01,;-4.16,1.46,;-5.66,1.77,;-6.14,3.23,;-5.11,4.39,;-3.6,4.06,;-3.12,2.59,;-2.21,-.48,;-.9,.3,;-.9,1.84,;.44,-.48,;1.78,.28,;3.09,-.5,;4.45,.27,;4.45,1.82,;3.09,2.59,;1.76,1.82,;.44,2.59,)|
BDBM50163955 NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1
BDBM50163956 NNC(=O)CSc1nc2sc3CCCCc3c2c(=O)n1-c1cccc(F)c1
BDBM50163957 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
BDBM50163958 NNC(=O)CSc1nc2sc(Cl)c(-c3ccccc3F)c2c(=O)n1-c1cccc(F)c1 |(7.45,-2.83,;6.1,-2.06,;4.77,-2.82,;4.77,-4.36,;3.44,-2.05,;2.11,-2.82,;.78,-2.05,;-.56,-2.82,;-1.88,-2.05,;-3.35,-2.53,;-4.26,-1.28,;-5.8,-1.28,;-3.35,-.03,;-3.84,1.42,;-2.82,2.58,;-3.28,4.04,;-4.8,4.38,;-5.83,3.2,;-5.34,1.73,;-6.36,.58,;-1.88,-.51,;-.56,.27,;-.56,1.8,;.78,-.51,;2.11,.27,;3.43,-.52,;4.77,.23,;4.77,1.77,;3.43,2.56,;3.43,4.1,;2.11,1.79,)|
BDBM50163959 NNC(=O)CNc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1
BDBM50163960 CC(Sc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1)C(=O)NN
BDBM50163961 CCOC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccc(F)cc1
BDBM50163962 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccc(F)c1
BDBM50163963 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccc(Cl)cc1
BDBM50163964 NNC(=O)CSc1nc2sc3CCCC(c3c2c(=O)n1-c1cccc(F)c1)c1ccccc1
BDBM50163965 NNC(=O)CSc1nc2ccc(cc2c(=O)n1-c1cccc(F)c1)-c1ccccc1
BDBM50163966 CC(C)c1sc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c2c1-c1ccccc1F |(-6.15,-2.57,;-5.37,-1.22,;-6.15,.11,;-3.84,-1.22,;-2.93,-2.47,;-1.46,-1.99,;-.16,-2.76,;1.19,-1.99,;2.52,-2.76,;3.84,-1.99,;5.18,-2.76,;5.18,-4.29,;6.51,-2.01,;7.85,-2.78,;1.19,-.45,;2.52,.32,;3.83,-.47,;5.18,.3,;5.18,1.83,;3.83,2.61,;3.83,4.14,;2.52,1.83,;-.16,.32,;-.16,1.86,;-1.46,-.45,;-2.93,.02,;-3.44,1.48,;-2.39,2.62,;-2.87,4.09,;-4.37,4.42,;-5.4,3.25,;-4.92,1.79,;-6.41,1.39,)|
BDBM50163967 NC(=O)CSc1nc2scc(-c3ccccc3F)c2c(=O)n1-c1cccc(F)c1
BDBM50163968 COc1ccccc1-n1c(SCC(=O)NN)nc2scc(-c3ccccc3)c2c1=O |(.42,4.01,;.42,2.45,;1.75,1.68,;3.09,2.45,;4.44,1.68,;4.43,.14,;3.09,-.63,;1.76,.16,;.42,-.63,;.42,-2.15,;1.76,-2.94,;3.09,-2.15,;4.44,-2.94,;4.43,-4.48,;5.77,-2.15,;7.09,-2.95,;-.9,-2.92,;-2.22,-2.15,;-3.7,-2.64,;-4.6,-1.38,;-3.7,-.15,;-4.18,1.33,;-3.14,2.47,;-3.62,3.92,;-5.13,4.25,;-6.14,3.1,;-5.67,1.63,;-2.22,-.63,;-.9,.16,;-.9,1.7,)|
BDBM50163969 CCN(CC)CCCOc1ccccc1-c1csc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c12
BDBM50163970 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1F |(7.13,-2.81,;5.8,-2.03,;4.45,-2.81,;4.45,-4.33,;3.12,-2.03,;1.78,-2.81,;.44,-2.03,;-.9,-2.79,;-2.21,-2.03,;-3.69,-2.5,;-4.6,-1.26,;-3.69,,;-4.16,1.46,;-5.66,1.77,;-6.14,3.23,;-5.11,4.39,;-3.6,4.06,;-3.12,2.59,;-2.21,-.48,;-.9,.3,;-.9,1.84,;.44,-.48,;1.78,.28,;3.09,-.5,;4.45,.27,;4.45,1.82,;3.09,2.59,;1.76,1.82,;.44,2.59,)|
BDBM50163971 NNC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-c1ccccc1
BDBM50163972 NCC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccc(F)c1
BDBM50163973 Cc1sc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c2c1-c1ccccc1F |(-5.8,-1.28,;-4.26,-1.28,;-3.35,-2.53,;-1.88,-2.05,;-.56,-2.82,;.78,-2.05,;2.11,-2.82,;3.44,-2.05,;4.77,-2.82,;4.77,-4.36,;6.1,-2.06,;7.45,-2.83,;.78,-.51,;2.11,.27,;3.43,-.52,;4.77,.23,;4.77,1.77,;3.43,2.56,;3.43,4.1,;2.11,1.79,;-.56,.27,;-.56,1.8,;-1.88,-.51,;-3.35,-.03,;-3.84,1.42,;-2.82,2.58,;-3.28,4.04,;-4.8,4.38,;-5.83,3.2,;-5.34,1.73,;-6.36,.58,)|
BDBM50163974 ONC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-c1ccc(F)cc1
BDBM50163975 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccc(F)cc1
BDBM50163976 CN(N)C(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-c1ccc(F)cc1
BDBM50163977 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccc(Cl)c1
BDBM50163978 OC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-c1ccc(F)cc1
BDBM50163979 CNNC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-c1ccc(F)cc1
BDBM50163980 COc1ccc(cc1)-c1csc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c12
BDBM50163981 NNC(=O)CSc1nc2scc(-c3cccc(F)c3)c2c(=O)n1-c1cccc(F)c1
BDBM50163982 NNC(=O)CSc1nc2sc3CNCCc3c2c(=O)n1-c1cccc(F)c1
BDBM50163983 Cc1sc2nc(SCC(=O)NN)n(-c3ccccc3)c(=O)c2c1-c1ccccc1
BDBM50163984 Cc1sc2nc(SCCC(=O)NN)n(-c3ccccc3)c(=O)c2c1-c1ccccc1
BDBM50163985 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C1CCCCC1
BDBM50163986 NNC(=O)CSc1nc2sc(cc2c(=O)n1-c1ccccc1)-c1ccccc1
BDBM50163987 Cn1c(SCC(=O)NN)nc2scc(-c3ccccc3)c2c1=O
BDBM50163988 COc1ccccc1-c1csc2nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c12
BDBM50163989 CC(C)(C)OC(=O)N1CCc2c(C1)sc1nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c21
BDBM50163990 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1Cc1ccccc1
BDBM50163991 CC1CCCc2sc3nc(SCC(=O)NN)n(-c4cccc(F)c4)c(=O)c3c12
BDBM50163992 NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccnc1
BDBM50163993 NNC(=O)CSc1nc2scc(-c3ccccc3F)c2c(=O)n1-c1cccc(F)c1
BDBM50163994 CN1CCc2c(C1)sc1nc(SCC(=O)NN)n(-c3cccc(F)c3)c(=O)c21
BDBM50163995 Cc1csc2nc(SCC(=O)NN)n(-c3ccc(F)cc3)c(=O)c12
BDBM50200145 Fc1ccc2[nH]cc(CC(NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:34|
BDBM50200146 COc1ccc2[nH]cc(CC(NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:35|
BDBM50200147 BrC1=NOC(CNC(=O)C(Cc2c[nH]c3ncccc23)NC(=O)OCc2ccccc2)C1 |t:1|
BDBM50200148 Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NC[C@@H]2CC(Br)=NO2)cc1 |r,c:26|
BDBM50200149 Fc1ccc2[nH]cc(CC(NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:29|
BDBM50200150 BrC1=NOC(CNC(=O)C2Cc3ccccc3N2C(=O)OCc2ccccc2)C1 |t:1|
BDBM50200151 Oc1ccc(C[C@H](NC(=O)OCc2cnc3ccccc3c2)C(=O)NC[C@@H]2CC(Br)=NO2)cc1 |r,c:31|
BDBM50200152 Fc1ccc2[nH]cc(C[C@H](NC(=O)OCc3cnc4ccccc4c3)C(=O)NC[C@@H]3CC(Br)=NO3)c2c1 |r,c:34|
BDBM50200153 Oc1ccc2[nH]cc(CC(NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |c:34|
BDBM50200154 Fc1ccc2c(CC(NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c[nH]c2c1 |c:27|
BDBM50200155 Fc1ccc2[nH]cc(C[C@H](NC(=O)OCc3cnc4ccccc4c3)C(=O)NCC3CC(Br)=NO3)c2c1 |r,c:34|
BDBM50200156 BrC1=NO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OCc2cnc3ccccc3c2)C1 |r,t:1|
BDBM50200157 BrC1=NOC(CNC(=O)N2CCC[C@H]2C(=O)OCc2ccc3ccccc3n2)C1 |r,t:1|
BDBM50200158 Fc1cccc2[nH]cc(CC(NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c12 |c:30|
BDBM50200159 Oc1ccc(C[C@H](NC(=O)OCc2cnc3ccccc3c2)C(=O)NCC2CC(Br)=NO2)cc1 |r,c:31|
BDBM50216771 CC(C)C[C@H](NC(=O)[C@H](CCNC(=O)C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50216772 CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50216777 CC(C)C[C@H](NC(=O)[C@H](CCCNC(=O)C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50326016 Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
BDBM50342575 CC(=O)C=C1C(=O)Nc2cc(OC(F)(F)F)ccc12 |w:3.2|
BDBM50342576 CC(=O)C=C1C(=O)Nc2c1cccc2Cl |w:3.2|
BDBM50342577 Clc1cccc2NC(=O)\C(=C\C(=O)c3ccccn3)c12
BDBM50342578 Clc1cccc2NC(=O)\C(=C\C(=O)c3ccncc3)c12
BDBM50342579 Clc1cccc2NC(=O)\C(=C\C(=O)c3cncc(Br)c3)c12
BDBM50342580 COc1ccncc1C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12
BDBM50342581 Clc1cccc(c1)C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12
BDBM50342582 Clc1ccc(cc1)C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12
BDBM50342583 COc1ccccc1C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12
BDBM50342584 COc1cccc(c1)C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12
BDBM50342585 COc1ccc(cc1)C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12
BDBM50342586 Nc1cccc(c1)C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12
BDBM50342587 Nc1ccc(cc1)C(=O)\C=C1\C(=O)Nc2cccc(Cl)c12
BDBM50342588 CC(C)N1C(=O)\C(=C\C(=O)c2cccnc2)c2c1cccc2Cl
BDBM50342589 CC(C)CN1C(=O)\C(=C\C(=O)c2cccnc2)c2c1cccc2Cl
BDBM50342590 Clc1cccc2N(C(=O)\C(=C\C(=O)c3cccnc3)c12)c1ccccc1
BDBM50342591 Clc1cccc2N(CC3CCCCC3)C(=O)\C(=C\C(=O)c3cccnc3)c12
BDBM50342592 Clc1cccc2N(CCc3ccccc3)C(=O)\C(=C\C(=O)c3cccnc3)c12
BDBM50342593 Clc1cccc2N(CCCc3ccccc3)C(=O)\C(=C\C(=O)c3cccnc3)c12
BDBM50342594 CN(C)C(=O)N1C(=O)\C(=C\C(=O)c2cccnc2)c2c1cccc2Cl
BDBM50342595 CCOC(=O)N1C(=O)\C(=C\C(=O)c2cccnc2)c2c1cccc2Cl
BDBM50342596 COC(=O)c1cccc(CN2C(=O)\C(=C\C(=O)c3cccnc3)c3c2cccc3Cl)c1
BDBM50342597 COC(=O)c1ccc(CN2C(=O)\C(=C\C(=O)c3cccnc3)c3c2cccc3Cl)cc1
BDBM50342552 [O-][N+](=O)c1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1
BDBM50342557 O=C1Nc2ccc(Oc3ccc4NC(=O)C(=O)c4c3)cc2C1=O
BDBM50342558 O=C1Nc2ccc(Cc3ccc4NC(=O)C(=O)c4c3)cc2C1=O
BDBM50342559 Cc1cc(C)c(CN2C(=O)C(=O)c3ccccc23)cc1CN1C(=O)C(=O)c2ccccc12
BDBM50342560 O=C1N(CN2C(=O)C(=O)c3ccccc23)c2ccccc2C1=O
BDBM50342553 Clc1ccc2\C(=C/C(=O)c3cccnc3)C(=O)Nc2c1
BDBM50342554 Brc1ccc2\C(=C/C(=O)c3cccnc3)C(=O)Nc2c1
BDBM50342555 Clc1cccc2\C(=C/C(=O)c3cccnc3)C(=O)Nc12
BDBM50342556 Brc1cccc2\C(=C/C(=O)c3cccnc3)C(=O)Nc12
BDBM50342598 Clc1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1
BDBM50342599 Cc1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1
BDBM50342561 O=C1Nc2ccccc2\C1=C1/C(=O)Nc2ccccc12
BDBM50342562 CC(=O)C=C1C(=O)Nc2cccc(Cl)c12 |w:3.2|
BDBM50342563 CC(=O)C=C1C(=O)Nc2ccc(Cl)cc12 |w:3.2|
BDBM50342564 CC(=O)C=C1C(=O)Nc2cc(F)ccc12 |w:3.2|
BDBM50342565 Clc1cccc2NC(=O)\C(=C\C(=O)c3cccnc3)c12
BDBM50342566 Clc1cccc2NC(=O)\C(=C\C(=O)c3ccccc3)c12
BDBM50342567 CN1C(=O)\C(=C\C(=O)c2cccnc2)c2c1cccc2Cl
BDBM50342568 Clc1cccc2N(Cc3ccccc3)C(=O)\C(=C\C(=O)c3cccnc3)c12
BDBM50342569 O=C(\C=C1\C(=O)Nc2ccccc12)c1cccnc1
BDBM50342570 Brc1cccc2NC(=O)\C(=C\C(=O)c3cccnc3)c12
BDBM50342571 Brc1ccc2NC(=O)\C(=C\C(=O)c3cccnc3)c2c1
BDBM50342572 Fc1cc2C(=O)C(=O)Nc2c(F)c1
BDBM50342573 O=C1Nc2cc(Oc3ccc4C(=O)C(=O)Nc4c3)ccc2C1=O
BDBM50342574 Cc1cc(CN2C(=O)C(=O)c3ccccc23)c(C)cc1CN1C(=O)C(=O)c2ccccc12
BDBM50349806 O=C1Nc2ccccc2\C1=C1/Nc2ccccc2C1=O
BDBM50392880 Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
BDBM50392881 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
BDBM50392882 C=CC(=O)NCC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
BDBM50392883 C=CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
BDBM50392884 CN(CCNC(=O)C=C)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
BDBM50392885 C=CC(=O)N[C@H]1CCCN(C1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r|
BDBM50392886 C=CC(=O)N[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r|
BDBM50392887 C=CC(=O)N[C@H]1CCN(C1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r|
BDBM50392888 C=CC(=O)N[C@@H]1CCN(C1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 |r|
BDBM50392889 C=CC(=O)NC1CN(C1)S(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
BDBM50392890 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccc1
BDBM50392891 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1
BDBM50392892 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCCc1ccccc1
BDBM50392893 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 |r|
BDBM50392894 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCc2ccccc2C1
BDBM50392895 CN(CCc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C=C
BDBM50392896 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C=C
BDBM50392897 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCC1CCCCC1
BDBM50392898 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCC12CC3CC(CC(C3)C1)C2 |TLB:32:27:34:33.31.30,32:31:34:28.27.26,THB:33:25:28:32.31.30,33:31:28:34.26.25|
BDBM50392899 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCC1CCOCC1
BDBM50392900 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCN1CCOCC1
BDBM50392901 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCc1cccc2ccccc12
BDBM50392902 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCc2ccccc12
BDBM50392903 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NC1Cc2ccccc2C1
BDBM50392904 FC(F)(F)c1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
BDBM50392905 Clc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
BDBM50392906 COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
BDBM50392907 CC(C)(C)c1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1
BDBM50392908 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(cc1)-c1ccccc1
BDBM50392909 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc2ccccc2c1
BDBM50392910 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc2cccnc2c1
BDBM50392911 COc1ccccc1CCNC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C=C
BDBM50392912 COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1OC
BDBM50392913 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1cccc2OCOc12
BDBM50392914 C=CC(=O)NC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1cccc2CCOc12
BDBM50392915 Clc1cccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)c1
BDBM50392916 Cc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(CC2)NC(=O)C=C)cc1C
BDBM50392917 C=CC(=O)NC1CCN(CC1)C(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
BDBM50392918 C=CC(=O)NC1CCN(Cc2ccc(NC(=O)OCc3ccccc3)cc2)CC1
BDBM50400618 OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400619 CC(C)(C)OC(=O)CNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400620 Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)c1ccccc1 |r|
BDBM50400621 Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50400622 CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)c1cccc(C)n1 |r|
BDBM50400623 Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)c1ccc2ccccc2c1 |r|
BDBM50400624 Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OC(C)(C)C |r|
BDBM50400625 Clc1ccccc1N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400626 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(CC1)c1ccccc1 |r|
BDBM50400627 Cc1cccc(n1)N1CCN(CC1)C(=O)[C@@H]1CC(CCNC(=O)C=C)CN1C(=O)OC(C)(C)C |r|
BDBM50400628 CC(C)(C)OC(=O)N[C@@H](CC1CCN(CC1)C(=O)C=C)C(O)=O |r|
BDBM50400629 OC(=O)[C@H](Cc1ccc(NC(=O)C=C)cc1)NCOCc1ccccc1 |r|
BDBM50400630 FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400631 FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400632 Cc1cccnc1N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400633 Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400634 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1 |r|
BDBM50400635 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1 |r|
BDBM50400636 COc1ccc(Cl)cc1N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400637 CN1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400638 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2C1 |r|
BDBM50400639 FC1(F)CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400640 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCCC1 |r|
BDBM50400641 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC1 |r|
BDBM50400642 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
BDBM50400643 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCCC1 |r|
BDBM50400644 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1 |r|
BDBM50400645 CCN(CC)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400646 CN(C)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400647 OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccc2ccccc2c1 |r|
BDBM50400648 OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1cccc2ccccc12 |r|
BDBM50400649 OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1c(F)cccc1F |r|
BDBM50400650 CC(C)(C)c1ccc(COC(=O)N[C@@H](CCCCNC(=O)C=C)C(O)=O)cc1 |r|
BDBM50400651 CCCCc1ccc(COC(=O)N[C@@H](CCCCNC(=O)C=C)C(O)=O)cc1 |r|
BDBM50400659 COC(=O)N[C@@H](CCCCNC(=O)C=C)C(O)=O |r|
BDBM50400660 C=CC(=O)NCCCCCNC(=O)OCc1ccccc1
BDBM50400661 OC[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50400652 Cc1ccc(COC(=O)N[C@@H](CCCCNC(=O)C=C)C(O)=O)cc1 |r|
BDBM50400653 OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccc(F)cc1 |r|
BDBM50400654 OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccc(cc1)[N+]([O-])=O |r|
BDBM50400655 OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccc(cc1)C(F)(F)F |r|
BDBM50400656 OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1cccc(c1)C(F)(F)F |r|
BDBM50400657 OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1C(F)(F)F |r|
BDBM50400658 OC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1Cl |r|
BDBM50420459 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,20:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26|
BDBM50420461 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)OCc1ccccc1
BDBM50420462 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)C(=O)OCc1ccccc1
BDBM50420463 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCCC1
BDBM50420464 Fc1cccc(COC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)c1F
BDBM50420465 Fc1cc(F)cc(COC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)c1
BDBM50420466 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420467 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1C[C@@H]1c1ccccc1 |r|
BDBM50420468 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCCC2CCCCC12
BDBM50420469 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCCCC1
BDBM50420470 FC1(F)CCN(CC1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420471 Cc1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420472 CN(C(=O)C=C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM50420434 Brc1ccc(NS(=O)(=O)C=C)cc1
BDBM50420435 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
BDBM50420436 FC(F)(F)c1ccc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420437 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420438 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(C1)C(=O)OCc1ccccc1 |r|
BDBM50420439 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[C@H](C1)NC(=O)OCc1ccccc1 |r|
BDBM50420440 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC2CN(CC2C1)C(=O)OCc1ccccc1
BDBM50420441 CN(CCN(C)S(=O)(=O)c1ccc(NC(=O)C=C)cc1)C(=O)OCc1ccccc1
BDBM50420442 CC(C)(C)OC(=O)N1CC2CC1CN2S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420443 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420444 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1
BDBM50420445 FC(F)(F)c1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420446 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CCCc2ccccc2)CC1
BDBM50420447 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CCCCc2ccccc2)CC1
BDBM50420448 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)nc1
BDBM50420449 C=CC(=O)Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420450 C=CC(=O)Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
BDBM50420451 C=CC(=O)Nc1ccc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26|
BDBM50420452 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1cnc(NC(=O)C=C)nc1
BDBM50420453 C=CC(=O)Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420454 C=CC(=O)Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:22:29:25.26.27,THB:31:26:23.22.30:29,27:26:23:30.28.29,27:28:23:25.31.26|
BDBM50420455 NCc1ccc(CNC(=O)c2cccc(c2)-c2noc(CN(Cc3ccccn3)S(=O)(=O)\C=C\c3ccccc3)n2)cc1
BDBM50420473 Cc1cnn(c1)C(=O)c1ccc(Br)s1
BDBM50420474 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1
BDBM50420475 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1
BDBM50420476 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420477 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420478 C=CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420479 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCCC1)C1CO1
BDBM50420480 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C(F)=C)cc1
BDBM50420481 CC(=C)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM50420482 C\C=C/C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM50420483 C\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM50420484 C\C=C(/C)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM50420485 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)\C=C\C(F)(F)F)cc1
BDBM50420486 C\C(=C\C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F
BDBM50420487 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)\C=C/Cl)cc1
BDBM50420488 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)\C=C\Cl)cc1
BDBM50420489 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)NCC#N)cc1
BDBM50420490 CCOC(=O)CNc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM50420491 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NCC#N
BDBM50420492 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)CC#N)cc1
BDBM50420493 CC(=O)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM50420494 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N
BDBM50420495 CC#CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM50420496 CCOC(=O)\C=C\c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420497 CCOC(=O)\C=C\Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420498 O=C(CCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1)[CH-][N+]#N
BDBM50420499 CC(C)CN(C)c1cc(ccc1NC(=O)C=C)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420500 Fc1cc(ccc1NC(=O)C=C)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420501 COc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM50420502 Cc1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM50420503 FC(F)(F)c1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420504 Fc1ccc(COC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(NC(=O)C=C)cc2)cc1
BDBM50420505 Clc1ccccc1COC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420506 FC(F)(F)c1ccccc1COC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420507 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1Oc1ccccc1
BDBM50420508 Cc1ccccc1COC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420509 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1cccc2ccccc12
BDBM50420510 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1cccc(Oc2ccccc2)c1
BDBM50420511 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccc(Oc2ccccc2)cc1
BDBM50420512 COC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420513 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCc1ccccc1
BDBM50420514 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1
BDBM50420515 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCC2CCCCC2C1
BDBM50420516 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCCC1
BDBM50420517 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccn1
BDBM50420518 Cc1cccc(n1)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420519 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC1CCCC1
BDBM50420520 CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[CH-][N+]#N)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
BDBM50420522 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM50420523 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CC[C@@H](C1)NC(=O)OCc1ccccc1 |r|
BDBM50420524 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@@H]1CCN(C1)C(=O)OCc1ccccc1 |r|
BDBM50420538 O=C(Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1)[CH-][N+]#N
BDBM50420456 Brc1ccc(NC(=O)C=C)cc1
BDBM50420457 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1F
BDBM50420458 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1Cl
BDBM50420460 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
BDBM50420521 C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCNCC1
BDBM50420525 C=CC(=O)Nc1ccc(NC(=O)N2CCCC2)cc1
BDBM50420526 COc1ccc(NC(=O)C=C)cc1
BDBM50420527 C=CC(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50420528 Cc1ccc(NC(=O)C=C)cc1
BDBM50420529 C=CC(=O)Nc1ccccc1
BDBM50420530 FC(F)(F)c1ccc(NC(=O)C=C)cc1
BDBM50420531 [O-][N+](=O)c1ccc(NC(=O)C=C)cc1
BDBM50420532 CS(=O)(=O)c1ccc(NC(=O)C=C)cc1
BDBM50420533 Fc1ccc(NC(=O)C=C)cc1
BDBM50420534 Brc1ccccc1NC(=O)C=C
BDBM50420535 Brc1cccc(NC(=O)C=C)c1
BDBM50420536 Brc1ccc(CNC(=O)C=C)cc1
BDBM50420537 CCC(=O)Nc1ccc(Br)cc1
BDBM50444512 COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC=CS(C)(=O)=O)NC(=O)OCc1ccccc1 |r,w:31.31|
BDBM50444513 CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
BDBM50444514 CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
BDBM50438566 CC[S+](CC)CC(=O)CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(O)=O |r|
BDBM50438567 C[S+](C)CC(=O)CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(O)=O |r|
BDBM50438568 CCCc1c(CCC)[n+](C)c(SCC(=O)CC[C@H](NC(=O)CNC(=O)OCc2ccccc2)C(O)=O)n1C |r|
BDBM50438569 Cc1c(C)[n+](C)c(SCC(=O)CC[C@H](NC(=O)CNC(=O)OCc2ccccc2)C(O)=O)n1Cc1ccccc1 |r|
BDBM50438570 Cc1c(C)[n+](C)c(SCC(=O)CC[C@H](NC(=O)CNC(=O)OCc2ccccc2)C(O)=O)n1-c1ccccc1 |r|
BDBM50438571 CCC[n+]1c(C)c(C)n(C)c1SCC(=O)CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(O)=O |r|
BDBM50438572 CCn1c(C)c(C)[n+](CC)c1SCC(=O)CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(O)=O |r|
BDBM50438573 Cc1c(C)[n+](C)c(SCC(=O)CC[C@H](NC(=O)CNC(=O)OCc2ccccc2)C(O)=O)n1C |r|
BDBM50438574 CC[S+](CC)CC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O |r|
BDBM50438575 C[S+](C)CC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O |r|
BDBM50438576 CCCc1c(CCC)[n+](C)c(SCC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)n1C |r|
BDBM50438581 Cc1c(C)[n+](C)c(SCC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)n1C |r|
BDBM50438577 Cc1c(C)[n+](C)c(SCC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)n1Cc1ccccc1 |r|
BDBM50438578 Cc1c(C)[n+](C)c(SCC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(O)=O)n1-c1ccccc1 |r|
BDBM50438579 CCC[n+]1c(C)c(C)n(C)c1SCC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O |r|
BDBM50438580 CCn1c(C)c(C)[n+](CC)c1SCC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O |r|
BDBM185157 Cc1c(C)[n+](C)c(SCC(=O)NCC(=O)N2CCN(CC2)C(=O)OCc2ccccc2)n1C
BDBM185158 C=CS(=O)(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM185159 C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM185160 BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
BDBM185162 C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
BDBM185163 COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)CBr)ccc2c1
BDBM185166 COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)CCl)ccc2c1
BDBM185167 COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)CBr)cc1
BDBM185168 COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C[S+](C)C)cc1
BDBM185169 COC(=O)c1ccc(COC(=O)N2CCN(CC2)C(=O)CNC(=O)C=C)cc1
BDBM185170 BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
BDBM185171 ClCC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
BDBM185172 C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
BDBM185164 COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C[S+](C)C)ccc2c1
BDBM185173 C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:19:20:24:18.23.17,23:18:25:22.24.21,23:22:25:19.18.17,THB:19:18:24:25.20.21|
BDBM185174 C=CS(=O)(=O)NCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:25:19.24.18,24:19:26:23.25.22,24:23:26:20.19.18,THB:20:19:25:26.21.22|
BDBM185175 BrCC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
BDBM185176 C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:24:28:22.27.21,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25|
BDBM185177 C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:20.25.19,25:20:27:24.26.23,25:24:27:21.20.19,THB:21:20:26:27.22.23|
BDBM185178 C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:24:25:29:23.28.22,28:23:30:27.29.26,28:27:30:24.23.22,THB:24:23:29:30.25.26|
BDBM185179 C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:22:23:27:21.26.20,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
BDBM185180 C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM185181 CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CNC(=O)C=C
BDBM185161 C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccc2ccccc2c1
BDBM185155 C[S+](C)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM60581 COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C=C)ccc2c1
BDBM50083718 NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 |r|
BDBM50083720 NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(CCNS(=O)(=O)c2ccccc2[N+]([O-])=O)cc1 |r|
BDBM185739 [O-][N+](=O)c1ccc(\C=C\C(=O)n2nnc3ccccc23)cc1
BDBM185740 [O-]n1n[n+](C(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)c2ccccc12
BDBM185741 [O-]n1n[n+](C(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)c2cccnc12
BDBM185742 [O-][N+](=O)c1ccc(\C=C\C(=O)n2ccnc2)cc1
BDBM185743 [O-][N+](=O)c1ccc(\C=C\C(=O)OCc2ccccc2)cc1
BDBM185744 CC(C)(C)OC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
BDBM185745 [O-][N+](=O)c1ccc(\C=C\C(=O)NCc2ccccc2)cc1
BDBM185746 [O-][N+](=O)c1ccc(\C=C\C(=O)Nc2ccccc2)cc1
BDBM50083721 Cc1ccc(NC(=O)[C@H]2O[C@H]2C(N)=O)cc1C |r|
BDBM50083722 NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1 |r|
BDBM50083723 NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)cc1 |r|
BDBM50083724 NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccccc1 |r|
BDBM50083725 NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Oc2ccccc2)c1 |r|
BDBM50083726 NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Cl)c1 |r|
BDBM50083728 NC(=O)[C@H]1O[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
BDBM185747 [O-][N+](=O)c1ccc(\C=C\C(=O)Nc2cccc3ccccc23)cc1
BDBM185748 [O-][N+](=O)c1ccc(\C=C\C(=O)N2CCCCC2)cc1
BDBM185749 [O-][N+](=O)c1ccc(\C=C\C(=O)N2CCc3ccccc23)cc1
BDBM185750 [O-][N+](=O)c1ccc(\C=C\C(=O)N2Cc3cccc4cccc(C2)c34)cc1
BDBM185751 CN(Cc1ccccc1)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
BDBM185752 [O-][N+](=O)c1ccc(\C=C\C(=O)c2cc3ccccc3oc2=O)cc1
BDBM185753 [O-][N+](=O)c1ccc(\C=C\C(=O)N2CCCOC2)cc1
BDBM185754 O=C(\C=C\c1ccc(cc1)N(=O)=O)c1cn(Cc2ccccc2)nn1
BDBM185755 O=C(\C=C\c1ccc(cc1)N(=O)=O)c1cn(Cc2cnn[nH]2)nn1
BDBM185756 CCCCCCCCn1cc(nn1)C(=O)\C=C\c1ccc(cc1)N(=O)=O
BDBM185757 O=C(\C=C\c1ccc(cc1)N(=O)=O)c1cn(nn1)C1CCCC1
BDBM185758 [O-][N+](=O)c1ccc(Cn2cc(nn2)C(=O)\C=C\c2ccc(cc2)N(=O)=O)cc1
BDBM185759 COc1ccc(Cn2cc(nn2)C(=O)\C=C\c2ccc(cc2)N(=O)=O)cc1
BDBM185760 O=C(\C=C\c1ccc(cc1)N(=O)=O)c1cn(Cc2ccccn2)nn1
BDBM185761 O=C(\C=C\c1ccc(cc1)N(=O)=O)c1cn(CC2CCCCC2)nn1
BDBM185762 [O-][N+](=O)c1cccc(Cn2cc(nn2)C(=O)\C=C\c2ccc(cc2)N(=O)=O)c1
BDBM185763 Fc1c(F)c(F)c(Cn2cc(nn2)C(=O)\C=C\c2ccc(cc2)N(=O)=O)c(F)c1F
BDBM185764 FC(F)(F)c1cc(Cn2cc(nn2)C(=O)\C=C\c2ccc(cc2)N(=O)=O)cc(c1)C(F)(F)F
BDBM185765 CC(c1ccccc1)n1cc(nn1)C(=O)\C=C\c1ccc(cc1)N(=O)=O
BDBM185766 O=C(\C=C\c1ccc(cc1)N(=O)=O)c1cn(nn1)C(c1ccccc1)c1ccccc1
BDBM185767 [O-]n1n[n+](C(=O)\C=C\c2ccc(cc2)N(=O)=O)c2ccccc12
BDBM185768 [O-]n1n[n+](C(=O)\C=C\c2cccc(c2)N(=O)=O)c2ccccc12
BDBM185769 [O-]n1n[n+](C(=O)\C=C\c2ccccc2N(=O)=O)c2ccccc12
BDBM185770 [O-]n1n[n+](C(=O)\C=C\c2cccc(Cl)c2)c2ccccc12
BDBM185772 COc1ccc(\C=C\C(=O)n2nnc3ccccc23)cc1
BDBM185773 COc1cccc(\C=C\C(=O)n2nnc3ccccc23)c1
BDBM185774 COc1ccccc1\C=C\C(=O)n1nnc2ccccc12
BDBM185775 Cc1ccc(\C=C\C(=O)n2nnc3ccccc23)cc1
BDBM185776 Cc1cccc(\C=C\C(=O)n2nnc3ccccc23)c1
BDBM185777 Cc1ccccc1\C=C\C(=O)n1nnc2ccccc12
BDBM185778 O=C(\C=C\c1ccccc1)n1nnc2ccccc12
BDBM185779 Clc1ccc(\C=C\C(=O)n2nnc3ccccc23)cc1
BDBM185780 Clc1ccccc1\C=C\C(=O)n1nnc2ccccc12
BDBM185781 OB(C#N)c1ccc(\C=C\C(=O)n2nnc3ccccc23)cc1
BDBM185782 OB(C#N)c1cccc(\C=C\C(=O)n2nnc3ccccc23)c1
BDBM185783 O=C(Nc1ccc(\C=C\C(=O)n2onc3ccccc23)cc1)OCC1c2ccccc2-c2ccccc12
BDBM185784 COC(=O)c1ccc(\C=C\C(=O)n2nnc3ccccc23)cc1
BDBM185785 O=C(\C=C\c1ccc(cc1)N(=O)=O)c1cccnc1
BDBM185786 Nc1ccc(\C=C\C(=O)c2cccnc2)cc1
BDBM185787 CC(=O)Nc1ccc(\C=C\C(=O)c2cccnc2)cc1
BDBM185789 O=C(COc1ccc(cc1)N(=O)=O)n1nnc2ccccc12
BDBM185790 O=C(CCc1ccc(cc1)N(=O)=O)n1nnc2ccccc12
BDBM185791 O=C(\C=C\C=C\c1ccc(cc1)N(=O)=O)n1nnc2ccccc12
BDBM185792 O=C(\C=C\c1ccc(cc1)N(=O)=O)c1c[nH]nn1
BDBM185771 O=C(\C=C\c1ccc(cc1)N(=O)=O)n1nnc2ccccc12
BDBM50083759 CCCCc1ccc(NC(=O)[C@@H]2O[C@@H]2C(N)=O)cc1 |r|
BDBM60582 CC[S+](CC)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
BDBM50083717 NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 |r|
BDBM204890 OC1O[C@H](NC(=O)n2sc3ncccc3c2=O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM204892 CC(=O)N1CCN(CC1)C(=O)n1sc2[nH]cccc2c1=O
BDBM204891 COc1ccc(CNC(=O)n2sc3[n+]([O-])cccc3c2=O)cc1OC
BDBM204894 [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)C1CC1)c2=O
BDBM204882 O=C(N1CCN(CC1)c1ccc(cc1)C#N)n1sc2[nH]cccc2c1=O
BDBM204896 CCS(=O)(=O)N1CCN(CC1)C(=O)n1sc2ncccc2c1=O
BDBM204897 CCS(=O)(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204898 CN1CCN(CC1)C1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204899 CNC1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204883 OC(=O)CN1CCN(CC1)C(=O)n1sc2ncccc2c1=O
BDBM204902 [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC1)c2=O
BDBM204903 [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)[C@@H]1CCCN1)c2=O |r|
BDBM204904 CNC(C)(C)C(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204905 CCNCC(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204906 [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)[C@@H]1CCC(=O)N1)c2=O |r|
BDBM204909 COc1ccc(cc1OC)C(=O)N1CCN(CC1)C(=O)n1sc2[nH]cccc2c1=O
BDBM204910 COc1ccc(cc1OC)C(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204911 CC(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204912 [O-][n+]1cccc2c1sn(C(=O)N1CCNCC1)c2=O
BDBM204914 CCCC(=O)C1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204913 [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)c1ccncc1)c2=O
BDBM204915 [O-][n+]1cccc2c1sn(C(=O)N1CCNC(=O)C1)c2=O
BDBM204916 C[C@H]1CN(C[C@@H](C)O1)C(=O)n1sc2[n+]([O-])cccc2c1=O |r|
BDBM204917 COCCC(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204884 [O-][n+]1cccc2c1sn(C(=O)N1CCOCC1)c2=O
BDBM204885 OC(=O)CN1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204918 OC1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204922 [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)c1ccccn1)c2=O
BDBM204887 O=C(CCOc1ccccc1)N1CCN(CC1)C(=O)n1sc2ncccc2c1=O
BDBM204888 [O-][n+]1cccc2c1sn(C(=O)N1CCN(CC1)C(=O)CCOc1ccccc1)c2=O
BDBM204889 CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)n2sc3ncccc3c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
BDBM204886 CC(NC(=O)n1sc2[n+]([O-])cccc2c1=O)c1ccc2OCCOc2c1
BDBM204907 [O-][n+]1cccc2c1sn(C(=O)N1CCC(CC1)N1CCNC1=O)c2=O
BDBM204919 NC(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204921 CS(=O)(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204893 O=C(C1CC1)N1CCN(CC1)C(=O)n1sc2[nH]cccc2c1=O
BDBM204895 CC(C)C(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204900 NCC(=O)N1CCN(CC1)C(=O)n1sc2[n+]([O-])cccc2c1=O
BDBM204901 [O-][n+]1cccc2c1sn(C(=O)N1CCC3(CCCN3)CC1)c2=O
BDBM50237134 Oc1cccc(\C=C\C(=O)c2cccnc2)c1
BDBM50241214 NC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241215 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241230 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)Cc1ccccc1 |r|
BDBM50241231 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccccn1 |r|
BDBM50241232 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccnc1 |r|
BDBM50241233 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccncc1 |r|
BDBM50241234 Oc1ccc2cc(C(=O)N3CCN(CC3)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc3ccccc3)c(=O)oc2c1 |r|
BDBM50241235 OC(=O)CNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241236 COC(=O)CNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241237 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1 |r|
BDBM50241216 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241217 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCOCCOCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241218 CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241219 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12 |r|
BDBM50241220 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1 |r|
BDBM50241223 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 |r|
BDBM50241224 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)C1CCCCC1 |r|
BDBM50241225 CC(C)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241226 CS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241227 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cccs1 |r|
BDBM50241228 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50241229 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1 |r|
BDBM50241238 CCS(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241239 C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccc2ccccc2c1 |r|
BDBM50241240 CC(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241241 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCNC(=O)[C@H](CCCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50241246 CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)[C@H](CCCNC(=O)C=C)NC(=O)OCc1ccccc1 |r|
BDBM50245478 CCC(CC)CNC(=O)Cn1cccc(NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)c2cncn2C)c1=O |r|
BDBM50277162 Oc1ccc(\C=C\C(=O)c2cccnc2)cc1
BDBM50277161 Oc1ccc(\C=C\C(=O)c2cccnc2)cc1O
BDBM50277163 CCOc1cc(\C=C\C(=O)c2cccnc2)ccc1O
BDBM50277165 COc1cc(\C=C\C(=O)c2cccnc2)ccc1O
BDBM50461608 Brc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461609 Clc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461610 Ic1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461611 C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1cccc(n1)-c1ccccc1 |r|
BDBM50461612 [O-][N+](=O)c1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461613 CCC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1cccc(C)n1 |r|
BDBM50461615 [O-][N+](=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461614 OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCC(CC3)C(=O)NCCCCCN)c3ccc(cc3oc2c1)=[N+](CC)CC |(18.44,-8.97,;17.12,-8.2,;17.12,-6.68,;15.79,-8.97,;14.47,-8.2,;15.79,-10.49,;14.47,-9.72,;30.48,-2.09,;29.16,-1.33,;29.16,.2,;27.84,-2.09,;26.52,-1.33,;27.84,-3.61,;26.52,-2.84,;44.76,-.97,;43.43,-1.75,;43.44,-3.3,;44.77,-4.06,;46.1,-3.29,;42.11,-4.07,;42.11,-5.62,;40.77,-6.39,;39.43,-5.62,;38.11,-6.39,;38.1,-7.93,;39.43,-8.69,;39.43,-10.23,;38.08,-11.01,;36.75,-10.23,;36.76,-8.69,;35.43,-7.91,;36.75,-7.13,;34.09,-8.67,;32.77,-7.89,;31.44,-8.65,;31.42,-10.19,;32.75,-10.97,;34.09,-10.21,;30.08,-10.95,;30.06,-12.49,;28.75,-10.16,;27.4,-10.93,;26.08,-10.14,;24.73,-10.9,;23.4,-10.11,;22.07,-10.87,;20.74,-10.09,;36.78,-5.61,;35.45,-6.37,;34.12,-5.59,;34.13,-4.06,;35.47,-3.31,;36.78,-4.07,;38.12,-3.32,;39.44,-4.08,;40.77,-3.31,;32.81,-3.28,;32.82,-1.74,;34.15,-.97,;31.47,-4.04,;30.14,-3.26,)|
BDBM50461616 COC(=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461617 C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1ccncc1 |r|
BDBM50461618 Cc1cccc(c1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461624 [O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461625 [O-][N+](=O)c1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1F |r|
BDBM50461626 CC(C)(C)c1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461627 Fc1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461628 FC(F)(F)C(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)c1cccc(n1)-c1ccccc1 |r|
BDBM50461629 FCCOc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461630 FC(F)(F)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461631 C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1 |r|
BDBM50461632 CCC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc(nc1)[N+]([O-])=O |r|
BDBM50461633 C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)c1cccnc1 |r|
BDBM50461634 Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461635 NC(=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461636 Fc1ccc(CN2CCN(CC2)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc2ccccc2)cc1 |r|
BDBM50461637 [O-][N+](=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Nc1ccccc1 |r|
BDBM50461607 Fc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461619 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1 |r|
BDBM50461620 Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1cccs1 |r|
BDBM50461621 Cc1cccc(n1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccccc1F |r|
BDBM50461622 [O-][N+](=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)Cc1ccc(F)cc1 |r|
BDBM50461623 [O-][N+](=O)c1ccc(cn1)N1CCN(CC1)C(=O)[C@H](CCCCNC(=O)C=C)NC(=O)c1ccc(F)cc1 |r|
BDBM577509 COC(=O)\C=C\CC[C@H](NC(=O)c1cncc(c1)C(O)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577528 CCOC(=O)\C=C\CC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
BDBM577529 CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
BDBM577530 CCOC(=O)\C=C\CC[C@H](NC(=O)c1cnccc1C(O)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577531 CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)NCCC(C)C |r|
BDBM577532 CCOC(=O)\C=C\CC[C@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)NCCC(C)C)C(C)(C)C |r|
BDBM577533 CCOC(=O)\C=C\CC[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
BDBM577534 CCOC(=O)\C=C\CC[C@H](NC(=O)c1ccc(cc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=C)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577535 CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
BDBM577536 CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
BDBM577537 CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM577538 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(O)=O)C(=O)N[C@H](C(=O)N1CC(=C)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O)C(C)(C)C |r|
BDBM577539 CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H]1CC(=O)CN1)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
BDBM577540 CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H]1CC(=O)CN1)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM577541 COC(=O)\C=C\CC[C@H](NC(=O)[C@@H]1CC(=O)CN1)C(=O)N[C@@H](CC1CC1)C(=O)N1CCOC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM577542 COC(=O)\C=C\CC[C@H](NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
BDBM577543 COC(=O)\C=C\CC[C@H](NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
BDBM577544 COC(=O)\C=C\CC[C@H](NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
BDBM577545 COC(=O)\C=C\CC[C@H](NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(O)=O |r|
BDBM577546 COC(=O)\C=C\CC[C@H](NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O |r|
BDBM577547 COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C1CCCCC1)C(O)=O)C(C)(C)C |r|
BDBM577483 COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577484 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577485 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@@H](CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
BDBM577486 COC(=O)\C=C\CC[C@H](NC(=O)c1nccnc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
BDBM577548 CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM577549 CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H]1CC(=O)CN1)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(O)=O |r|
BDBM577550 COC(=O)\C=C\CC[C@H](NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OCC=C)C(O)=O |r|
BDBM577487 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577488 COC(=O)\C=C\CC[C@H](NC(=O)c1cnc(O)c(c1)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577489 CCOC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
BDBM577490 CCOC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577491 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577492 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)Oc1ccccc1)C(C)(C)C |r|
BDBM577493 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)Oc1ccccc1)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;$|
BDBM577494 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)OCc1ccccc1)C(C)(C)C |r|
BDBM577495 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
BDBM577496 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577497 CC(C)(C)[C@H](NC(=O)[C@H](CC\C=C\C(N)=O)NC(=O)c1ccncc1C(O)=O)C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r,$;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;$|
BDBM577498 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM577499 CNC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
BDBM577500 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C2(C)C)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
BDBM577501 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C2CCCCC2C[C@H]1C(=O)NC(C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;$|
BDBM577502 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577503 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@@H](F)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577504 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC=C[C@H]1C(=O)NC(C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,c:33|
BDBM577505 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577506 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=C)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577507 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CCOC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
BDBM577508 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1COC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;$|
BDBM577510 COC(=O)\C=C\CC[C@H](NC(=O)c1cnc(O)c(c1)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577512 COC(=O)\C=C\CC[C@H](NC(=O)c1ccc(cc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1COC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C |r|
BDBM577515 CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)c1ccc(cc1C(O)=O)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)Nc1cccn(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(N)=O)c1=O |r|
BDBM577516 COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(O)=O)C(C)(C)C |r|
BDBM577517 COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(=O)OC)C(C)(C)C |r,$;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;$|
BDBM577518 CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)CN1C(=O)[C@@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)c1ccncc1C(O)=O)C(C)(C)C)C1CCCCC1)C1CCCCC1 |r|
BDBM577519 COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@@H](CCSC)C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
BDBM577520 COC(=O)\C=C\CC[C@H](NC(=O)c1ccccc1C(O)=O)C(=O)Nc1cccn(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(N)=O)c1=O |r|
BDBM577521 CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)c1ccccc1C(O)=O)C(=O)Nc1cccn(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(N)=O)c1=O |r|
BDBM577522 CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)c1ccccc1C(O)=O)C(=O)Nc1cccn(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(N)=O)c1=O |r|
BDBM577523 COC(=O)\C=C\CC[C@H](NC(=O)c1ccccc1C(O)=O)C(=O)N[C@H](C(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C)C(N)=O)C(C)(C)C |r|
BDBM577524 CCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)c1ccccc1C(O)=O)C(=O)N1CCC[C@@]1(C)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
BDBM577525 CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
BDBM577526 CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@@H](CC(C)C)C(N)=O |r|
BDBM577527 CCOC(=O)\C=C\CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
BDBM577511 COC(=O)\C=C\CC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C(O)=O)C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C2(C)C)C(C)(C)C |r|
BDBM50589233 C=CC(=O)NCC(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12
BDBM50589234 C=CC(=O)NCCC(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12
BDBM50589235 C=CC(=O)NCCCC(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12
BDBM50589236 C=CC(=O)NCCCCC(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12
BDBM50589237 C=CC(=O)NCCCCCC(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12
BDBM50589238 C=CC(=O)NCCCCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:22:23:21.20.26:27,26:21:28:25.27.24,26:25:28:22.21.20,THB:22:21:27:28.23.24|
BDBM50589239 C=CC(=O)NCCCCCC(=O)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2 |TLB:23:24:22.21.27:28,27:22:29:26.28.25,27:26:29:23.22.21,THB:23:22:28:29.24.25|
BDBM50589240 CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CCNC(=O)C=C
BDBM50589241 CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CCCNC(=O)C=C
BDBM50589242 CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CCCCNC(=O)C=C
BDBM50589243 CN(C)c1cccc2c(cccc12)S(=O)(=O)N1CCN(CC1)C(=O)CCCCCNC(=O)C=C
BDBM50589244 C=CC(=O)NCC(=O)N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12
BDBM50591636 ONC(=O)CCCCNC(=S)Nc1ccc(\C=C\C(=O)c2cccnc2)cc1
BDBM50603630 CC(C)C(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603631 CCC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603632 CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603633 C=CC(=O)NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603634 Fc1ccccc1C(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603635 Fc1cccc(c1)C(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603636 Fc1ccc(cc1)C(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603637 C=CC(=O)NCCCC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603638 C=CC(=O)NCCCC[C@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603639 C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603640 C=CC(=O)NCCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603641 C=CC(=O)NCCCC[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603642 Fc1ccc(CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N2CCN(CC2)C(=O)c2cccc3ccccc23)cc1 |r|
BDBM50603643 Fc1cccc(CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N2CCN(CC2)C(=O)c2cccc3ccccc23)c1 |r|
BDBM50603644 Fc1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603645 Clc1cccc(CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N2CCN(CC2)C(=O)c2cccc3ccccc23)c1 |r|
BDBM50603646 Cc1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603647 COc1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603648 Clc1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603649 Brc1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603650 Clc1cccc(CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N2CCN(CC2)C(=O)c2cccc3ccccc23)c1Cl |r|
BDBM50603651 Clc1ccc(CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N2CCN(CC2)C(=O)c2cccc3ccccc23)cc1Cl |r|
BDBM50603652 Fc1ccc(CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N2CCN(CC2)C(=O)c2cccc3ccccc23)c(F)c1 |r|
BDBM50603653 FC(F)(F)c1ccccc1CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603618 C=CC(=O)NCCCC[C@H](NC(=O)c1ccccn1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603619 C=CC(=O)NCCCC[C@H](NC(=O)c1cccnc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603620 C=CC(=O)NCCCC[C@H](NC(=O)c1ccncc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603621 Cn1ccnc1C(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603622 Cn1cncc1C(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603623 Cn1cnc(c1)C(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603654 C=CC(=O)NCCCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603655 C=CC(=O)NCCCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603656 CCS(=O)(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603657 CS(=O)(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603624 C=CC(=O)NCCCC[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r,wD:9.8,TLB:11:13:15:17.19.18,THB:20:18:15:21.22.13,20:21:15:17.19.18,13:14:17:20.21.22,13:21:17:15.14.19,(.04,-6.04,;-1.3,-5.27,;-1.3,-3.73,;.04,-2.96,;-2.63,-2.96,;-2.63,-1.42,;-1.3,-.65,;-1.3,.89,;-2.63,1.66,;-2.63,3.2,;-3.97,3.97,;-5.3,3.2,;-5.3,1.66,;-6.65,3.75,;-7.47,4.68,;-7.47,5.71,;-8.4,6.04,;-9.38,5.6,;-9.38,4.57,;-8.4,4.29,;-8.67,3.64,;-7.69,4.08,;-7.69,5.17,;-1.3,3.97,;-1.3,5.51,;.04,3.2,;1.37,3.97,;2.7,3.2,;2.7,1.66,;1.37,.89,;.04,1.66,;4.04,.89,;4.04,-.65,;5.37,1.66,;5.37,3.21,;6.71,3.99,;8.05,3.21,;8.05,1.67,;9.38,.9,;9.38,-.64,;8.06,-1.41,;6.72,-.65,;6.71,.89,)|
BDBM50603625 C=CC(=O)NCCCC[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603626 C=CC(=O)NCCCC[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603627 C=CC(=O)NCCCC[C@H](NC(=O)C1CC1)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603628 CC(C)(C)C(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
BDBM50603629 CC(C)CC(=O)N[C@@H](CCCCNC(=O)C=C)C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12 |r|
CHEMBL5283861 Clc1ccccc1N1CCN(CC1)C(=O)C(CCCCNC(=O)C=C)NC(=O)OCc1ccccc1