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453 SMILES Strings for Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)

Compound NameSMILES String
BDBM15169 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
BDBM18512 CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
BDBM29680 COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
BDBM29682 ClC(Cl)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)[nH]1
BDBM29622 Cc1cc(C)cc(c1)-n1c2ncn(Cc3ccco3)c(=O)c2c2nc3ccccc3nc12
BDBM28879 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)-c2ccccc2)C1=O
BDBM31737 Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
BDBM30786 Clc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
BDBM34284 O=C1CC(Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc12)c1ccco1
BDBM34164 COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccc(F)cc1
BDBM33051 COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl
BDBM34596 Cc1cc(-c2ccco2)c(C#N)c2nc3ccccc3n12
BDBM35730 NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
BDBM41084 O=C(Nc1cccc(c1)-c1cn2ccccc2n1)c1cc2ccccc2oc1=O
BDBM41093 Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
BDBM41069 Clc1c(sc2ccccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
BDBM41070 O=C(COc1ccccc1)Nc1sc2CCCCc2c1C(=O)NCc1cccnc1
BDBM41076 Cc1ccc(cc1)C(=O)NNC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc21
BDBM40246 CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(O)=O
BDBM43091 CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
BDBM41668 Cc1cccn2c1nc1n(CCCn3ccnc3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1
BDBM45060 C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1
BDBM46213 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|
BDBM46214 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
BDBM46215 CC(C)OC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
BDBM46264 Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1
BDBM46265 O=C(CSc1nc(nc2sc3CCCCc3c12)C1CC1)NCc1ccc2OCOc2c1
BDBM46245 Cc1c(sc2nc(C=Cc3ccc(C)c(c3)[N+]([O-])=O)[nH]c(=O)c12)C(O)=O |w:7.6|
BDBM44167 CSc1sc(c2CCC=Cc12)-c1n[nH]c(=S)n1C |c:8|
BDBM48446 N=c1c(cc2c(nc3ccccn3c2=O)n1CCc1ccccc1)C(=O)NCc1ccco1
BDBM48331 N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C(=O)NCc1ccc2OCOc2c1
BDBM48341 CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1
BDBM48754 [O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
BDBM47002 COc1ccc(CCn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
BDBM46939 OC(=O)c1csc(N=NCc2ccc(Br)cc2)n1 |w:7.6|
BDBM51308 Cc1ccc(cc1)-c1cc(-c2ccco2)c(C#N)c(=O)[nH]1
BDBM50197 COc1ccc(-c2ccc([CH+][N-]NC(=O)c3cccnc3)o2)c(c1)[N+]([O-])=O
BDBM50346 CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(CC)c(=O)c12)[N+]([O-])=O
BDBM50276 Cc1ccc(NC2=NC(=O)SC2=Cc2ccco2)cc1 |w:12.13,t:6|
BDBM50225 Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
BDBM50359 CCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c12)[N+]([O-])=O
BDBM50242 Clc1ccc(CN=Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 |w:7.7|
BDBM50009 O=c1n(Cc2ccco2)cnc2n(Cc3ccccc3)c3nc4ccccc4nc3c12
BDBM50513 Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O
BDBM50435 Nc1ccc(Cc2ccc(N)c(O)c2)cc1O
BDBM50452 COc1ccc(cc1)\[NH+]=c1/[n-]c(=O)c2cc(ccc2s1)[N+]([O-])=O
BDBM50392 COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC |w:6.5|
BDBM50431 Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
BDBM49141 Brc1cnc2cc(nn2c1)C(=O)NCc1ccc2OCOc2c1
BDBM53829 Cc1cccc(c1)-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1
BDBM53492 OC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
BDBM52274 Fc1cccc(Cl)c1COc1ccc(cc1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccco1 |c:25|
BDBM53206 Nc1nc(cs1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:19|
BDBM51767 Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1
BDBM51850 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(Br)cc1
BDBM51775 CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl |w:8.8|
BDBM51777 Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
BDBM54792 CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N
BDBM55065 CCCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1
BDBM55068 CCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
BDBM55075 Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccc(OCc2ccccc2)cc1
BDBM55022 COc1c(N2CCN(C(C)C2)C(=S)NCc2ccccc2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
BDBM54263 CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O |c:32|
BDBM57929 CCOC(=O)c1cccc(NC(=S)N2CCN(CC2)c2ncc3c(n2)n(CC)cc(C(O)=O)c3=O)c1
BDBM57100 CCn1cc(C(=O)NCc2ccc3OCOc3c2)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1
BDBM60648 Nc1ccc2nc(CCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1
BDBM60660 Nc1ccc2nc(CCCCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1
BDBM59546 Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
BDBM58771 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cc(OC)cc(OC)c1
BDBM61672 COc1ccc2cc3c(N)nn(C(=O)c4cccc(c4)[N+]([O-])=O)c3nc2c1
BDBM61719 CCOC(=O)c1cc(nn1-c1ccccc1C(O)=O)-c1ccc(cc1)N1CCOCC1
BDBM61676 [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccncc1NC(=O)c1cccc(c1)[N+]([O-])=O
BDBM61732 CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(cc1)C(O)=O
BDBM61241 Cc1c(OCc2ccc(F)cc2Cl)ccc2c(C)c(CC(O)=O)c(=O)oc12
BDBM66141 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1F
BDBM66142 COc1ccc(cc1)C(C)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 |w:10.11|
BDBM66147 CCn1c2nc(C)n(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2sc1=S
BDBM66148 COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)=NNC(=O)c1ccncc1 |w:19.21|
BDBM64217 Cc1[nH]c(=O)c(cc1-c1csc(n1)-c1ccccc1)C#N
BDBM64829 OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O
BDBM65855 COc1ccc(Nc2ccnc3ccccc23)cc1
BDBM69343 C(CNc1nc(nc2ccccc12)-c1ccccc1)Cn1ccnc1
BDBM69392 Cc1ccc2nc(cn2c1)-c1ccc2OCC(=O)Nc2c1
BDBM73701 Nc1nc(N)c(Cc2ccc(Cl)cc2Cl)c(N)n1
BDBM73754 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1
BDBM72082 O=C(CSc1nnc(o1)-c1ccccc1)Nc1sc2CCCCc2c1C#N
BDBM76333 Clc1ccc(cc1)-c1nc(NC(=O)CSc2ccc3ccccc3n2)ns1
BDBM76336 Brc1ccc2nc(cc(C(=O)Nc3ccncc3)c2c1)-c1ccccn1
BDBM76121 COc1cc2c(cc1NC(=O)c1cccc(c1)[N+]([O-])=O)oc1ccccc21
BDBM78912 Cc1ccc(cc1)-c1nc2cc(ccc2c(O)c1O)C(=O)NCCCn1ccnc1
BDBM77891 Cc1ccc(OCc2cc(no2)C(=O)NC2CCCCC2)cn1
BDBM76528 Oc1ccccc1C(=O)NC(=O)\C=C\c1ccc(Br)cc1
BDBM79566 COc1ccc(cc1OC)-c1csc(n1)N1CCN(CC1)c1cc(C)nc2ccccc12
BDBM83060 Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O |w:9.9|
BDBM83063 Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
BDBM82893 Fc1ccc(cc1)C(=O)Nc1nc2ccsc2c(=O)s1
BDBM82894 Clc1ccc(cc1)C(=O)Nc1nc2ccsc2c(=O)s1
BDBM82792 Cc1cccc(NC(=O)COc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+]([O-])=O)cc2)c1 |w:16.16|
BDBM82795 COc1ccc(NC(=O)C(=C/c2ccc(OCc3ccc(cc3)C(O)=O)c(OC)c2)\C#N)cc1
BDBM83009 CCc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(cc2)N2CCOCC2)cc1
BDBM83162 NC(=O)Cc1ccc(s1)C(=O)CSc1nnc(-c2ccncc2)n1C1CC1
BDBM83192 Clc1ccc(cc1)C(=O)NNC(=O)c1ccc2ccccc2c1
BDBM82810 OC(=O)c1cccc(NC(=O)CSc2nc(nc3ccc(F)cc23)-c2ccccc2)c1
BDBM82821 Clc1ccccc1\C=C\C(=O)Nc1ccc2C(=O)NC(=O)c2c1
BDBM82823 FC(F)(F)c1ccc(cc1)-n1nnc2ccccc2c1=N
BDBM82824 FC(F)(F)c1ccc(Nc2nnnc3ccccc23)cc1
BDBM82777 Cc1c(oc2cc(C)c(C)cc12)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
BDBM82926 CC(C)CCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1
BDBM82935 OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
BDBM82945 Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12
BDBM82952 COC(=O)COc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1
BDBM82958 OC(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccc(cc2)[N+]([O-])=O)cc1
BDBM82963 OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccc(Cl)cc3)C2=O)cc1
BDBM82964 COc1ccc(Nc2nnc(s2)-c2ccncc2)cc1Cl
BDBM82970 Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1O
BDBM82977 COc1ccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c(OC)c1
BDBM83007 CCSc1nnc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)s1
BDBM82890 Cc1csc2nc(NC(=O)c3ccccc3)sc(=O)c12
BDBM82891 O=c1n2N=C(CSc2nc2sc(cc12)-c1ccccc1)c1cccs1 |c:3|
BDBM82682 Clc1cccc(c1)C(=O)NNC(=O)c1cc2cc3ccccc3nc2s1
BDBM82685 Cc1ccc(cc1)C(=O)NNC(=O)c1cc2cc3ccccc3nc2s1
BDBM82656 Clc1c(cnn(-c2ccccc2)c1=O)N=NCc1ccc(Br)cc1 |w:14.15|
BDBM82670 [O-][N+](=O)c1cccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)c1
BDBM82697 CCCCC(=O)Nc1ccc(cc1)C(=O)NNC(=O)c1ccc(C)c(Br)c1
BDBM82701 [O-][N+](=O)c1cccc(\C=C\C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1
BDBM82711 O=C(CCc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
BDBM89189 Oc1ccc(cc1)C(=O)N\N=C\c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
BDBM89223 COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2cccs2)c1
BDBM89217 NC(=[NH2+])[N-]CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(ccc23)[N+]([O-])=O)cc1
BDBM87672 Cc1cc2cc(CNC(=O)c3ccc4OCOc4c3)ccc2n1C
BDBM87591 CNc1cccccc1=S
BDBM88719 OC(=O)C1=C(CSC2C(NC(=O)Cc3ccccc3)C(=O)N12)C=C |t:3|
BDBM88762 Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
BDBM88763 [O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccc(Br)cc2)c1
BDBM88727 Fc1cccc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2cccs2)cc1
BDBM88811 [#7]\[#7]=[#6]-1\[#6](Cl)=[#6](Cl)-[#6](Cl)=[#6]-1Cl |c:8,t:4|
BDBM88812 Cc1ccc(cc1NC(=O)c1ccc(=O)[nH]c1)S(=O)(=O)N1CCCCC1
BDBM89029 CC(c1sc(S)nc1O)c1sc(S)nc1O
BDBM89032 COc1ccc(NC(=O)CCn2c(=S)[nH]c3ccccc3c2=O)cc1Cl
BDBM88739 [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc(Br)s1
BDBM88787 NC(=O)c1cc2ccccc2o\c1=N/NC(=O)c1ccccc1O
BDBM88790 OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1 |w:14.14|
BDBM88791 C[C-](\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1
BDBM88801 CC(=NNC(=O)c1ccccc1O)c1ccc(NC(=O)Cc2ccccc2)cc1 |w:2.2|
BDBM88926 CC(=NNC(=O)c1ccc(OC2OCCOC2Oc2ccc(cc2)C(=O)NN=C(C)c2ccncc2)cc1)c1ccncc1 |w:27.28,2.2|
BDBM88746 Oc1ccccc1C(=O)N\N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1
BDBM88749 Oc1ccc(cc1)C(=O)N\N=C\c1ccc(OCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
BDBM90747 COc1ccc(Cn2c(nc3n(C)c4ccccc4c(=O)c3c2=O)-c2ccco2)cc1
BDBM95034 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(F)cc1
BDBM95035 Cc1ccc(cc1)-c1nc(NCc2cccnc2)c2ccccc2n1
BDBM95036 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3cccc(c3)C#N)sc12
BDBM95037 Clc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N\N=C\c1ccco1
BDBM95038 COC(=O)c1sc(NC(=S)NC(=O)c2ccccc2F)nc1C
BDBM95039 Fc1ccccc1-c1nc(NC2CCCC2)c2ccccc2n1
BDBM95040 Cc1cc(N2CCN(CC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2n1
BDBM95041 O=C(N\N=C\C=C\c1ccccc1)c1cc2c(ccc3ccccc23)o1
BDBM95042 CCC(C)Nc1nc(cs1)-c1ccc2OCC(=O)Nc2c1
BDBM95043 Cc1nccc(O)c1Cc1c(Cl)cccc1Cl
BDBM95044 COCCNc1nc(NCc2cc(no2)-c2ccc(OC)cc2)c2sccc2n1
BDBM95045 O=C1N(C(=O)c2ccccc12)c1ccc2nc([nH]c2c1)-c1ccco1
BDBM95048 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1F
BDBM95049 Cc1cccc(c1)-c1nc(NCCCN2CCOCC2)c2ccccc2n1
BDBM95050 CCCCNC(=O)c1nc(oc1-c1cccc(c1)C(F)(F)F)C1CCNCC1
BDBM95051 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(F)c(F)c1
BDBM95052 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1Cl
BDBM95053 COc1cccc(Nc2c(Nc3cccc(OC)c3)c(=O)c2=O)c1
BDBM95054 O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(O)=O
BDBM95055 OC(=O)c1ccc(NC(=O)CSc2nc(nc3ccc(F)cc23)-c2ccccc2)cc1
BDBM95056 O=c1cc(nc2nc([nH]n12)-c1ccco1)-c1ccccc1
BDBM95057 NC(=S)NN=C1Cc2cccc3cccc1c23 |w:4.3|
BDBM95059 OC(=O)c1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc1
BDBM95060 CC(=O)Nc1ccc(CNc2nc(NCC3CC3)nc3ccsc23)cc1
BDBM95061 CN(C)\C=C\C(=O)c1ccc(OCCN(C)c2ccccn2)cc1
BDBM95062 CC(C)OCCCNc1nc(nc2ccccc12)-c1ccccc1
BDBM95063 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccccc1Cl
BDBM95064 C[C+]([N-]NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)c1cc2ccccc2o1
BDBM95065 O=S(=O)(c1nnn2c1nc(NC1CCN(Cc3ccccc3)CC1)c1ccccc21)c1ccccc1
BDBM95066 C=CCc1cccc2cc(C(=O)NCc3cccnc3)c(=O)oc12
BDBM94929 O=C(Nc1cccc2cccnc12)\C=C\c1ccco1
BDBM94930 CC(=O)Nc1cc(O)c2cccnc2n1
BDBM95032 Nc1ncc2C(=O)CC(Cc2n1)c1ccco1
BDBM95033 Cc1cc(N2CCN(CC2)C(=O)Oc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1
BDBM94976 Fc1cc2sc(NC(=O)COC(=O)c3ccc(Br)o3)nc2c(F)c1F
BDBM94977 COc1ccc(Nc2nc(NCc3cccs3)nc3ccsc23)cc1OC
BDBM94979 Clc1ccc(cc1)C(=O)N\N=C/c1ccc(OC(=O)c2cccs2)cc1
BDBM94980 O=C(Nc1ccccc1-c1nc2ccccc2s1)C1=COCCO1 |t:21|
BDBM94966 Brc1ccc(cc1)C(=O)N\N=C\c1cccc(Br)c1
BDBM94968 Clc1ccc(cc1)-c1cc2nc3CCSc3c(=O)n2[nH]1
BDBM94897 Cc1nc(N)nc(N)c1-c1ccc(cc1)[N+]([O-])=O
BDBM94898 NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nccnc3c2)cc1
BDBM94899 COc1ccc(cc1)-c1c(C#Cc2ccsc2)c2ccccc2n1C
BDBM94969 CN(C)c1cc(oc(=O)c1Cl)-c1ccc(Cl)c(Cl)c1
BDBM94970 CNCC(=O)c1ccc(O)c(O)c1
BDBM94982 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)Nc1ccc(OC)cc1
BDBM94983 COCCNc1nc(NCc2cccc(OC)c2OC)c2sccc2n1
BDBM94984 CC1CCc2c(C1)sc(NC(=O)CSc1nnc(o1)-c1ccccc1)c2C#N
BDBM94985 COc1ccc(CNc2nc(nc3ccccc23)-c2ccccc2)cc1OC
BDBM94986 OC[C@H](Cc1ccccc1)NC(=O)C[C@H](CC=C)C(=O)N[C@@H](COC(=O)[C@@H](CCC=C)Cc1ccc(F)cc1)Cc1c[nH]c2ccccc12
BDBM94900 Cc1cc(N2CCN(CC2)C(=O)Nc2ccccc2C#N)c2ccccc2n1
BDBM94901 Cc1cccc(Nc2ncc3C(=O)CC(Cc3n2)c2ccco2)c1
BDBM94902 COc1cccc(CNc2nc(NCC3CC3)nc3ccsc23)c1OC
BDBM94903 CC(C)Oc1ccc(cc1)-c1nc(NCC2CCCO2)c2ccccc2n1
BDBM94904 Brc1ccc(\C=C\C=N/NC(=O)c2ccc3OCOc3c2)cc1
BDBM94905 OC(=O)c1cn(C2CC2)c2cc(N3CCN(CC3)S(=O)(=O)c3ccc4OCCOc4c3)c(F)cc2c1=O
BDBM94906 Cl\C(\C=N\NC(=O)c1ccc2OCOc2c1)=C/c1ccccc1
BDBM94907 CCOCCCNc1nc(nc2ccccc12)-c1ccccc1
BDBM94908 [O-][N+](=O)c1ccc(cc1)C(=O)N\N=C\C(\Br)=C\c1ccccc1
BDBM94909 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cccc(F)c1
BDBM94910 C1CCN(CC1)c1cc(nc2ccccc12)-c1ccccc1
BDBM94911 [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc2oc(=O)ccc2c1
BDBM94912 Cc1ccc(CNC(=O)C2CCN(CC2)c2nnc(C)c3c(C)n(nc23)-c2ccc(C)cc2)o1
BDBM94913 CN(C)c1ccc(cc1)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
BDBM94914 CC(=O)Nc1ccc(CNc2nc(NCc3cccs3)nc3ccsc23)cc1
BDBM94915 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1C
BDBM94937 Cc1ccccc1Nc1cc(C)c2c(cccc2=O)[nH]1
BDBM94938 [O-][N+](=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(Br)s1
BDBM94987 O=C(NCCN1CCCC1)c1ccc(Cn2c(=S)[nH]c3cc4OCOc4cc3c2=O)cc1
BDBM94975 CCCN1C(=O)CC(C1=O)c1ccc(OC)c(OC)c1
BDBM94918 O=c1cc(oc2cc(ccc12)-c1ccc2OCOc2c1)-c1ccsc1
BDBM94920 COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Br)ccc1O
BDBM94921 Cc1ccc(cn1)C(=O)N\N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1
BDBM94922 COc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1
BDBM94923 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)Nc1ccccc1
BDBM94924 COc1ccc(Nc2nc(cs2)-c2ccc3OCC(=O)Nc3c2)cc1
BDBM94925 CN(C)c1ccc(\C=N\NC(=O)c2nnn(c2COc2ccc(F)cc2)-c2nonc2N)cc1
BDBM94926 COCCNc1nc(NCc2cnc(C)cn2)c2sccc2n1
BDBM94927 CCOC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
BDBM94928 [H]C12CC(\C=C(/C#N)c3nc(N)nc(n3)N(C)C)C([H])(C1)C=C2 |c:23,THB:4:3:20:21.22|
BDBM94931 [O-][N+](=O)c1ccc([CH-]\N=[NH+]\c2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1
BDBM94932 Cc1ccc2nc3n(CCCn4ccnc4)c(=N)c(cc3c(=O)n2c1)C(=O)NCc1ccccc1
BDBM94933 Cc1cc(N2CCN(CC2)C(C(=O)NC2CCCC2)c2ccc(cc2)-c2ccccc2)c2ccccc2n1
BDBM94934 CC(C)c1nc(SCC(=O)Nc2ccc(cc2)C(O)=O)c2c3CCCCc3sc2n1
BDBM94935 OC(=O)CCCCCNc1nc(nc2ccccc12)-c1ccccc1
BDBM94936 COc1ccc(\C=C2/NC(=S)N(CCCn3ccnc3)C2=O)cc1
BDBM94945 CNc1nc(NC)c2c[nH]nc2n1
BDBM94946 Fc1ccccc1-c1nc(NCCCN2CCOCC2)c2ccccc2n1
BDBM94947 C[C@@H](NC(=O)c1ncn2c1c(=O)[nH]c1ccc(Br)cc21)c1ccccc1
BDBM94948 COc1ccccc1CNc1nc(NCc2ccc(NC(C)=O)cc2)c2sccc2n1
BDBM94949 Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1
BDBM94981 Cc1nccc2cc3[nH]c4ccccc4c3cc12
BDBM94876 Cc1n(c(C)c2c(C)nnc(C)c12)-c1ccc2ncccc2c1
BDBM94877 CC(C)c1ccc(NC(=O)C(N2CCOCC2)c2ccccc2)cc1
BDBM94939 COc1ccccc1CNc1nc(NCc2cnc(C)cn2)c2sccc2n1
BDBM94940 CCOC(=O)c1sc2ncc(cc2c1C)C(=O)c1cc(C)ccc1O
BDBM94941 CCCOc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1ncc2c(n1)n(CC)cc(C(O)=O)c2=O
BDBM94942 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1c(OC)cccc1OC
BDBM94943 CN1CCc2c(C1)sc(N=Cc1c[nH]c3ccccc13)c2C(N)=O |w:9.9|
BDBM94944 CC1N(Cc2ccc(cc2)-c2cccnc2)S(=O)(=O)CCN(Cc2cn(Cc3ccco3)nn2)C1=O
BDBM94950 CCN1CCc2c(C1)sc(NC(=S)NC(=O)c1ccccc1)c2C#N
BDBM94951 Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccc(Cl)c(Cl)c1
BDBM94952 Fc1ccccc1N1CCN(CC(=O)c2ccc3cc[nH]c3c2)CC1
BDBM94990 COc1ccccc1C=CC=NNC(=O)c1cc(n[nH]1)-c1ccco1 |w:11.12,8.8|
BDBM94991 [H]C12CCN(C[C@@H]1CC)[C@@H](C2)[C@H](O)c1ccnc2ccc(OC)cc12 |THB:7:6:9.10:2.3,11:9:6.5:2.3|
BDBM94992 N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccccc1)C(=O)NCc1ccco1
BDBM94993 Cc1cc(N2CCN(CC2)C(C(=O)NC2CCCC2)c2ccco2)c2ccccc2n1
BDBM94994 Brc1ccc(cc1)C(=O)Oc1ccc(\C=N\NC(=O)c2ccccn2)cc1
BDBM94995 Cc1cc(N2CCN(CC2)c2nc(cs2)-c2ccccc2)c2ccccc2n1
BDBM94996 COCCNc1nc(NCc2ccc(NC(C)=O)cc2)c2sccc2n1
BDBM94997 OC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccc(cc2)[N+]([O-])=O)c1
BDBM94998 Clc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
BDBM94999 COc1ccc(CNC2CC(C)N(C)CC2C)cc1OC
BDBM95000 CC(Nc1nc(nc2ccccc12)-c1ccccc1F)c1ccccc1
BDBM95002 Nc1c(cnn1-c1ccccc1)C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1
BDBM95003 OCCc1ccc(NC(=O)COc2ccc3c(cc(=O)oc3c2)-c2ccccc2)cc1
BDBM95004 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1
BDBM95005 C1CCN(C1)c1nc(\C=C\c2ccccc2)nc2ccccc12
BDBM95006 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cccc(C)c1
BDBM95007 Cn1c(CCN2CCN(CC2)c2ccccn2)nc2cc(NC(=O)COc3ccc(cc3)[N+]([O-])=O)ccc12
BDBM95008 COc1ccccc1CNc1nc(Nc2cccc(c2)-c2cnco2)c2sccc2n1
BDBM95009 OC(=O)c1cccc(NC(=O)c2cn(nc2-c2cc3ccccc3o2)-c2ccccc2)c1
BDBM95010 C\C(\C=N\NC(=O)c1ccc(Br)cc1)=C/c1ccccc1
BDBM95011 Cc1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1
BDBM95012 Clc1ccc2nc(CSc3nc(NCc4ccccc4)c4ccccc4n3)cc(=O)n2c1
BDBM95013 CCOC(=O)c1cnc(SSc2ncc(C(=O)OCC)c(N)n2)nc1N
BDBM95014 Clc1ccc(cc1)N=Cc1c[nH]n(-c2cccc(Cl)n2)c1=O |w:7.7|
BDBM95015 Cc1csc2nc(=O)c(C(=O)NCc3ccc4OCOc4c3)c(O)n12
BDBM95016 Oc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1-c1nc2ccccc2s1
BDBM95017 CCC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C#N
BDBM95018 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(OC)cc1
BDBM95020 O=C(CSc1nnc(o1)-c1ccco1)c1ccc[nH]1
BDBM94878 Clc1ccc(s1)C(=O)CC=Nc1ccc2OCOc2c1 |w:10.11|
BDBM94879 C(CNc1nc(nc2ccccc12)-c1ccccc1)CN1CCOCC1
BDBM94881 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
BDBM94882 COCCNc1nc(NCc2ccc(cc2)C(C)C)c2sccc2n1
BDBM94988 Cc1csc2c1nc(NC(=O)c1cccs1)sc2=O
BDBM94989 O=c1cc(CN2CCCCCCC2)c2ccccc2o1
BDBM94883 Clc1ccc(OCCCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(Cl)c1
BDBM94916 CC1CCN(CC1)c1cc(C)c2c(cccc2=O)[nH]1
BDBM94917 S=c1[nH]nc2ccc3ccccc3n12
BDBM94953 Cc1ccc(Nc2ccc(N)cc2S(O)(=O)=O)cc1
BDBM94954 OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl |t:11,TLB:1:3:16:10.12,13:12:3.4:16,THB:5:4:16:10.12,11:10:3.4:16|
BDBM94955 CN(C)CCOc1ccc(cc1)-c1c(c(C)c2ccccn12)-c1ccccc1
BDBM95021 O=C(Nc1nccs1)c1ccc(CSc2ccccc2)o1
BDBM95022 COc1cccc2OC[C@H]3CN(CCCCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)C[C@H]3c12
BDBM95023 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(Cl)cc1Cl
BDBM95024 Clc1ccc(Br)cc1-c1nc(no1)-c1ccncc1
BDBM94884 O=C(OCCNc1nc(nc2ccccc12)-c1ccccc1)c1cccnc1
BDBM94885 COc1ccc(cc1)-c1cnnc(n1)\[NH+]=N\[CH-]c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
BDBM94886 [O-][N+](=O)c1ccc(OCC(=O)Nc2ccc(cc2)N2CCCC2)cc1
BDBM94887 Brc1cncc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2ccc3OCOc3c2)cc1
BDBM94888 C(CN1CCCCC1)Nc1cc(nc2ccccc12)-c1ccccc1
BDBM94956 Clc1cccc(Cl)c1Cn1cnc(NCc2ccco2)c2ncnc12
BDBM94957 Fc1ccc(CCN2C(=O)NC(=O)C(=CNCc3ccc4OCOc4c3)C2=O)cc1 |w:14.14|
BDBM94958 CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ncn2c1c(=O)[nH]c1ccc(Br)cc21
BDBM94959 O=C(Cc1cn2ccsc2n1)Nc1nc2CCN(Cc3ccccc3)Cc2s1
BDBM94960 O=C(Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1)c1cccc(c1)S(=O)(=O)N1CCOCC1 |t:14|
BDBM94961 COc1ccc2ncccc2c1Cc1c(OC)ccc2ncccc12
BDBM94962 NC1=NC2(CCN(Cc3ccccc3)CC2)n2c(N1)nc1ccccc21 |t:1|
BDBM94963 CC(Nc1nc(nc2ccccc12)N1CCNCC1)c1ccccc1
BDBM94964 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
BDBM94965 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1Br
BDBM95025 CCOc1ccc(cc1)C(=O)N\N=C\c1cc(cs1)[N+]([O-])=O
BDBM95026 O=C(OCCNc1nc(nc2ccccc12)-c1ccccc1)c1ccncc1
BDBM95027 CCCCCCCCN1[C@@H](CC(=O)OC)c2cc(F)ccc2S1(=O)=O
BDBM95028 COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)NCc1ccco1
BDBM95029 Cc1cc(N2CCN(CC2)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)c2ccccc2n1
BDBM95030 CCCCn1nnnc1C(N1CCN(CC1)c1cc(C)nc2ccccc12)c1cc2ccccc2o1
BDBM95031 C[C+]([N-]NS(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)c1ccc(C)o1
BDBM94967 COCCNc1nc(NCc2ccc(C)cc2C)c2sccc2n1
BDBM94889 NNc1nc2c(Cl)ccc(Cl)c2s1
BDBM94890 CN1\C(=C\C=C\c2n(C)c3cc(c(cc3[n+]2C)[N+]([O-])=O)[N+]([O-])=O)C(C)(C)c2ccccc12
BDBM94971 Fc1ccccc1NC(=O)CSc1nnc2ccc(nn12)-c1ccco1
BDBM94972 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(NC2CCCC2)c2ccccc2n1
BDBM94973 O=C(Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccc2OCOc2c1
BDBM94974 Fc1cccc(c1)C(=O)Oc1ccc(\C=N\NC(=O)c2cccnc2)cc1
BDBM94891 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(OC)cc1
BDBM94892 CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)N=[N+]=[N-]
BDBM94893 CCOc1ccc(c(O)c1)-c1nc(N)ncc1-c1ccccc1OC
BDBM94894 Fc1ccc2=NC(=O)C(NNC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)=c2c1 |c:29,t:4|
BDBM94895 Cc1cccc2nc(nc(N[C@@H](CO)c3ccccc3)c12)-c1ccccc1
BDBM94896 CNc1nc2c(nnn2c2ccccc12)-c1ccc(Cl)cc1
BDBM50033309 C1CCC(C1)Nc1nc(nc2ccccc12)-c1ccccc1
BDBM50033327 C(Nc1nc(nc2ccccc12)-c1ccccc1)c1cccnc1
BDBM50104677 CCCCCCCCCCCCCCCC(=O)C1C(=O)OC(=C)C1=O
BDBM50104694 CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
BDBM50116318 C[C@H](Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
BDBM50148911 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50154449 CCc1nc(N)nc(N)c1-c1ccc(NCCN)c(c1)[N+]([O-])=O
BDBM50162328 O=C(NCc1ccco1)C(=O)NCc1cccc(CNC(=O)C(=O)NCc2ccco2)c1
BDBM50188777 CCOC(=O)C(Cc1ccc(NS([O-])(=O)=O)cc1)(NC(=O)OCc1ccccc1)C(=O)OC
BDBM50188779 CCOC(=O)CC(Cc1ccc(NS([O-])(=O)=O)cc1)(C(=O)OC)C(=O)OC
BDBM50188784 COC(=O)C(CCCc1ccccc1)(Cc1ccc(NS([O-])(=O)=O)cc1)C(=O)OC
BDBM50211918 COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cc(Cl)ccc1O
BDBM50214527 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1
BDBM50214528 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(O)cc3)C2=O)cc1
BDBM50214529 COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1O
BDBM50214530 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)cc1
BDBM50214531 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1
BDBM50214532 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc4ccccc4c3)C2=O)cc1
BDBM50214533 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3cccc(O)c3)C2=O)cc1
BDBM50214534 OC(=O)COc1ccc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1
BDBM50214535 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3cccc4ccccc34)C2=O)cc1
BDBM50214536 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1
BDBM50240530 Oc1ccc(Cc2oc3cc(O)ccc3c(=O)c2Cc2ccc(cc2)-c2ccccc2)cc1
BDBM50257476 Oc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
BDBM50257477 OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
BDBM50257478 OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3ccccc3c2=O)-c2ccc(O)cc2)cc1
BDBM50257415 Oc1ccc(Cc2oc3ccc(O)cc3c(=O)c2Cc2ccc(cc2)-c2ccccc2)cc1
BDBM50257416 Oc1ccc(cc1)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
BDBM50257417 OC(=O)c1cccc(c1)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
BDBM50257418 Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccc(O)c(O)c1
BDBM50257352 Oc1ccc(CCc2oc3cc(O)ccc3c(=O)c2Cc2ccc(cc2)-c2ccccc2)cc1
BDBM50256796 Oc1ccc(cc1)-c1oc2cc(O)c(O)cc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
BDBM50257294 Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
BDBM50267068 OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(Oc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
BDBM50267069 OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
BDBM50267070 OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
BDBM50267140 OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(O)cc3)C2=O)=N\c2ccccc2)cc1
BDBM50267141 COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1O
BDBM50267142 COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1O
BDBM50267143 OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(O)c(c3)C(O)=O)C2=O)=N\c2ccccc2)cc1
BDBM50267098 OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
BDBM50267099 OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc4ccccc34)C2=O)=N\c2ccccc2)cc1
BDBM50267100 OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc4ccccc4c3)C2=O)=N\c2ccccc2)cc1
BDBM50267101 OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(O)c3)C2=O)=N\c2ccccc2)cc1
BDBM50303174 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3F)cc2)-c2ccccc2)C1=O
BDBM50303175 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)C1=O
BDBM50303183 Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
BDBM50308158 Cn1c(c(-c2cn(CCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
BDBM50312261 OP(O)(=O)C(F)(F)c1ccc(cc1)C(=O)Nc1cc(c(Br)c(c1)C(F)(F)F)C(F)(F)F
BDBM50341993 OC(=O)c1ccc(COc2cccc(\C=C3/S\C(=N/c4ccccc4)N(Cc4ccc(cc4)C(O)=O)C3=O)c2)cc1
BDBM50344942 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|
BDBM50346601 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
BDBM50348092 Cc1cc(c(cc1-n1[nH]c(cc1=O)C(O)=O)S(O)(=O)=O)S(O)(=O)=O
BDBM50379825 OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
BDBM50379826 COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
BDBM50379827 COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
BDBM50379828 COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
BDBM50379829 OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc4ccccc4c3)C2=O)=N\c2ccc(cc2)C(F)(F)F)cc1
BDBM50379830 OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(OCc3ccccc3)c2)cc1
BDBM50379831 OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(Oc3ccccc3)cc2)cc1
BDBM50379832 OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(Oc3ccccc3)c2)cc1
BDBM50379833 COc1ccc(cc1)\N=C1/S\C(=C/c2ccc3ccccc3c2)C(=O)N1Cc1ccc(cc1)C(O)=O
BDBM50379834 COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
BDBM50393534 OP(O)(=O)CCc1cncc2cc[nH]c12
BDBM50393491 CCOc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1
BDBM50393492 Cc1ccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc2c1
BDBM50393493 COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1
BDBM50393495 CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
BDBM50393498 Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C
BDBM50393499 Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc12
BDBM50393500 Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C
BDBM50393501 COc1ccc(cc1)-n1ncc2c(SCC(=O)N3C(C)Cc4ccccc34)ncnc12
BDBM50393502 Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4OCOc4c3)nc2c1
BDBM50393529 OC(=O)c1ccc(COc2ccc(\C=C3/S\C(=N/c4ccccc4)N(Cc4ccc(cc4)C(O)=O)C3=O)cc2)cc1
BDBM50393530 Nc1ccccc1\C=C\P(O)(O)=O
BDBM50393531 Nc1ccccc1CCP(O)(O)=O
BDBM50393532 Nc1ccncc1CCP(O)(O)=O
BDBM50393533 OP(O)(=O)CCc1cccc2ccccc12
BDBM50391854 CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O |r,c:32|
BDBM50425806 OC(=O)c1cc2c(C#Cc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
BDBM50425807 OC(=O)c1cc2c(C#Cc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1
BDBM50425808 OC(=O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
BDBM50420258 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8|
BDBM50436357 OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
BDBM50436358 CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
BDBM50444692 COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
BDBM50444693 COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
BDBM50444694 COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
BDBM50444695 OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
BDBM50444696 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1
BDBM50444697 OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccccc2)=C\c2ccc(OCc3ccccc3)c(F)c2)cc1
BDBM50444698 COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCc1ccccc1
BDBM50444699 COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCc1ccccc1
BDBM50444700 OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
BDBM50444701 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)c(F)c3)C2=O)cc1
BDBM50444702 COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCc1ccccc1
BDBM50444703 COc1ccc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCc1ccccc1
BDBM50444704 COc1ccc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
BDBM50444705 OC(=O)c1ccc(CN2C(=O)S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)cc1
BDBM50087856 CCCCC(Oc1cc(O)c(cc1C#Cc1ccccc1OC(F)(F)F)C(O)=O)C(=O)NC1CCCCC1
BDBM50088045 CCCCCCCCCCCCCCCC(=O)OC1=CC(=O)OC(COCc2ccccc2)C1 |t:18|
BDBM50088046 CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccccc2C(=O)c2ccccc2)OC1=O |c:17|
BDBM50088047 CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(=O)c2ccc(cc2)C(=O)c2ccccc2)OC1=O |c:17|
BDBM50088049 CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COS(C)(=O)=O)OC1=O |c:17|
BDBM50088048 CCCCCCCCCCCCCCCC(=O)C1=C(O)C(COC(C)=O)OC1=O |c:17|
BDBM50088050 CCCCCCCCCCCCCCCC(=O)C1=C(O)OC2(CCCC2)OC1=O |c:17|
BDBM50088051 CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(CC)(CC)OC1=O |c:17|
BDBM50088053 CCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:11|
BDBM50088055 CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:17|
BDBM50088057 CCCCCCCCCCCCCCCC(=O)C1=C(O)CC(COCc2ccccc2)OC1=O |c:17|
BDBM50088044 CCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(CC)OC1=O |c:17|
BDBM50088054 CCCCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:19|
BDBM50054344 Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
BDBM50088056 CCCCCCCCCCCCCCCC(=O)C1=C(O)CC(CO)OC1=O |c:17|
BDBM199180 CCc1ccc(cc1)C(=O)NCCCCC(NC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)COC1CC(C)CCC1C(C)C)C(N)=O
BDBM50112356 OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
BDBM50102746 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C\c4ccccc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
BDBM50102748 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
BDBM50112357 CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)C(c3ccccc3)S(O)(=O)=O)cc2)cc1
BDBM50112358 OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccccc1
BDBM50158368 [H][C@]12CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CCC(C)(C)C=C21)C(=O)OC |r,t:34|
BDBM50160399 [H][C@]12CC[C@]3([H])[C@@]4(C)CCC5(OCCO5)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(CO)CCC(C)(C)C=C21 |r,t:40|