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1415 SMILES Strings for LANA

Compound NameSMILES String
BDBM10375 Cc1nc2ccccc2c2C(=O)NC(=O)c12
BDBM23426 COc1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1nncs1
BDBM28681 CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
BDBM31696 NC(=O)COc1ccc(cc1)C1N(CC2CCCO2)C(=O)c2oc3ccccc3c(=O)c12
BDBM34191 COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1
BDBM32003 OC(=O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc12 |t:10|
BDBM32006 Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
BDBM32050 O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
BDBM32022 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
BDBM32035 O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
BDBM34766 CC1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(cc2)S(=O)(=O)N2CCCC2)n1C
BDBM34604 Cc1cc(C)[n+]2ncn(C)c2n1
BDBM34608 O=C1CCn2cnc3cccc4ccc1c2c34
BDBM35909 CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM35431 COc1ccc2noc3-c4ccccc4C(=O)c1c23
BDBM37627 O=C(C1C(N(Cc2ccccc2)C(=O)C1=O)c1cccnc1)c1ccco1
BDBM37752 CCOC(=O)N1CCN(CC1)c1cc(NCCC(O)=O)c2C(=O)c3ccccc3-c3onc1c23
BDBM37601 CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
BDBM37652 O=C(C1C(N(CCCN2CCOCC2)C(=O)C1=O)c1ccccn1)c1cc2ccccc2o1
BDBM38235 CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1F
BDBM38113 Oc1c(-c2ccccc2)c(=O)c2cccc3CCCn1c23
BDBM37250 Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1
BDBM37121 Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1ccccc1
BDBM37300 Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
BDBM41501 Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCc4ccccc4)c1=O)c23
BDBM41044 Clc1ccc2nc(N=NCc3ccccc3C#N)nc(-c3ccccc3)c2c1 |w:7.6|
BDBM41111 OC(=O)c1ccccc1C(=O)NCc1ccc(F)cc1
BDBM41285 COc1cccc(c1)-c1noc(n1)C1CCCN(C1)C(=O)Cc1ccccc1
BDBM41474 COCCCNc1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
BDBM39351 NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O |c:12|
BDBM40722 COc1ccc(cc1)C1CC(=Nc2nc(NS(C)(=O)=O)nn12)c1ccc(Br)cc1 |c:11|
BDBM40007 COc1ccc(Cl)cc1NC(=O)c1ocnc1C
BDBM40166 ClC(C(=O)Nc1ccc(cc1)N1CCCC1)c1ccccc1
BDBM39880 CCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
BDBM39510 [#8]-c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]-[#6]-[#6]-[#6]-2=O)cc1
BDBM43434 COc1ccc(Nc2nc(cs2)C(=O)N2CCc3ccccc3C2)cc1
BDBM43265 COc1ccc(OC)c(c1)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(6.68,5.12,;6.68,3.58,;8.01,2.81,;9.34,3.58,;10.68,2.81,;10.68,1.27,;12.01,.5,;13.35,1.27,;9.34,.5,;8.01,1.27,;9.34,-1.04,;10.68,-1.81,;12.06,-.99,;13.45,-1.78,;14.78,-1.01,;13.45,-3.39,;14.78,-4.16,;12.06,-4.18,;10.68,-3.35,;9.34,-4.12,;8.01,-3.35,;6.63,-4.18,;5.24,-3.39,;3.91,-4.16,;5.24,-1.78,;3.91,-1.01,;6.63,-.99,;8.01,-1.81,)|
BDBM43121 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1csc2ccccc12)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 |c:5|
BDBM43270 Cc1ccccc1C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
BDBM42908 Clc1ccc(cc1)-c1nnc2sc(nn12)-c1ccc(Br)o1
BDBM42451 CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(CN3CCOCC3)c12
BDBM42376 Cc1c(Cl)cccc1N(CC(O)=O)S(C)(=O)=O
BDBM42613 C=CCn1c(=S)[nH]c2ccccc2c1=O
BDBM41817 Oc1ccc2ccc3cccc[n+]3c2c1
BDBM44592 COc1ccccc1C1C(C(=O)c2sc(C)nc2C)C(=O)C(=O)N1CCN1CCOCC1
BDBM45356 CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2OCOc2c1
BDBM44472 CCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
BDBM44475 CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
BDBM48553 Cc1cnc(NC(=O)c2ccc(o2)-c2nc3ccccc3s2)s1
BDBM47943 CCN(CC)c1ccc(SS(O)(=O)=O)cc1
BDBM48283 CC(C)CCn1c(C)cc(c1C)-c1csc(N)n1
BDBM48732 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#7+]=O)-[#6]=[#6]-1 |c:17,23|
BDBM47986 Cc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1
BDBM46991 Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccc(Cl)cc1 |(6.9,-2.18,;7.81,-.93,;9.35,-.93,;9.82,.53,;8.58,1.44,;7.33,.53,;5.87,1.01,;5.39,2.47,;3.85,2.47,;3.37,1.01,;4.62,.1,;4.62,-1.44,;6.16,-1.44,;3.08,-1.44,;4.62,-2.98,;3.29,-3.75,;3.29,-5.29,;4.62,-6.06,;4.62,-7.6,;5.95,-5.29,;5.95,-3.75,;8.58,2.98,;7.24,3.75,;7.24,5.29,;8.58,6.06,;8.58,7.6,;9.91,5.29,;9.91,3.75,)|
BDBM47591 CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
BDBM47717 CCNc1ccc2noc3-c4ccccc4C(=O)c1c23
BDBM47603 COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1O |w:5.4,c:17|
BDBM46835 O=S(=O)(NC1CCCCCC1)c1cccc2cccnc12
BDBM46447 OC(=O)c1ccc(CS(=O)c2cccc(c2)C(F)(F)F)o1
BDBM46896 O=S(=O)(\[#6]=[#6](\c1ccccc1)-c1ccccc1)c1ccccc1
BDBM51078 Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM51103 CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)c1ccc(Cl)cc1
BDBM51241 COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
BDBM51022 COc1ccc(\N=N\c2nc3cc(Br)c(Br)cc3n2C)c(OC)c1
BDBM51030 CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
BDBM51319 CCOC(=O)Cn1c(=O)n(C)c2nc(N3CCCCC3)n(Cc3ccccc3)c2c1=O
BDBM51042 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
BDBM51247 CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1
BDBM51281 Cc1nn(C)cc1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM51046 Clc1cccc(c1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
BDBM51047 Clc1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
BDBM51048 Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N2CCOCC2)c(Cl)c1
BDBM51051 Clc1ccccc1C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
BDBM51284 CC(C)(C)c1cc[n+](cc1)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:17.19|
BDBM51285 Cn1c2ccc(Br)c3C(=O)c4ccccc4-c(c(N)c1=O)c23
BDBM51417 O=C(Nc1nnc[nH]1)C=Cc1ccccc1 |w:9.10|
BDBM51151 Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(C1CCCCC1)c3=O
BDBM51256 CN1CCN(CC1)c1[cH-]cc([N+]([O-])=O)[c+]2[n-]o[n+](=O)c12
BDBM51183 CC(C)CSC1=NSC2=NC(=O)\C(=C/c3coc4ccccc4c3=O)C(=N)N12 |t:5,8|
BDBM51186 Cn1c2cccc3C(=O)c4ccccc4-c(c(Nc4ccc(Cl)cc4)c1=O)c23
BDBM51223 Oc1ccc(C(=O)c2ccccc2)c(O)c1
BDBM50862 COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1ccc(F)cc1
BDBM50864 CCCCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
BDBM50870 CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccoc1 |c:4|
BDBM50750 CC(C)OC(=O)CC(=O)c1sc2nc3CCN(C)Cc3cc2c1N
BDBM50889 Brc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|
BDBM50906 CCOC(=O)c1[n+]([O-])c2cc(OC)ccc2n(O)c1=O
BDBM50758 CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1nccs1
BDBM50767 O=C1N(C(=O)c2ccc(N3CCCCC3)c3cccc1c23)c1ccccn1
BDBM50844 O=c1[nH]c2Nc3ccccc3N=Cc2s1 |c:12|
BDBM50945 COc1ccc(cc1)\N=N\c1nc2ccc(Br)cc2n1C
BDBM50972 CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
BDBM50845 CN(CCO)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(C)c1
BDBM50852 COc1ccc2ccccc2c1C(O)c1nccn1C
BDBM50855 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C2CCCN2C1=O)C(C)C |c:27|
BDBM50782 COC(=O)c1[n+]([O-])c2cc(OC)ccc2n(O)c1=O
BDBM49518 Clc1cccc(Cl)c1\C=C\c1nc2ccccc2[nH]1
BDBM49240 Cc1ccc(NC(=O)c2noc3CCCCCc23)cc1
BDBM53499 FC(F)(F)c1cccc(CNC(=O)C2CCCN(C2)c2ncccn2)c1
BDBM52474 Cc1sc(c(C#N)c1C)-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C |(3.08,4.58,;4.54,4.1,;5.02,2.64,;6.56,2.64,;7.04,4.1,;8.5,4.58,;9.97,5.06,;5.79,5.01,;5.79,6.55,;7.47,1.39,;9.01,1.39,;9.91,2.64,;9.48,-.07,;8.24,-.98,;8.24,-2.52,;9.57,-3.29,;9.57,-4.83,;8.24,-5.6,;10.9,-5.6,;12.24,-4.83,;13.57,-5.6,;12.24,-3.29,;10.9,-2.52,;10.9,-.98,;6.99,-.07,;5.53,-.55,)|
BDBM52365 OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
BDBM52191 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1cc2ccccn2n1
BDBM52505 c1nc2cc3nc4ccccc4nc3cc2[nH]1
BDBM52461 CCOc1ccc(cc1)N1C(=O)S\C(=C/c2cccn2C)C1=O
BDBM53166 COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cn1
BDBM52930 Cn1nc(cc1-c1ccc(\C=C(/C#N)C(=O)c2ccccc2)s1)C(F)(F)F
BDBM53277 O=[#6](-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12)-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#8]-1
BDBM53279 Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NC1CCCC1
BDBM53129 CN1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM53138 COc1ccc2[nH]c3C(NCCc3c2c1)c1ccc(o1)[N+]([O-])=O
BDBM52845 Cc1ccc(cc1)C(=O)Cc1nc2cc(C)ccc2oc1=O
BDBM53037 Oc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1O
BDBM52787 CCOCCCn1c2nc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1
BDBM51727 COc1ccc(cc1OC)-c1cc(n2nc(cc2n1)C(=O)N(C)Cc1ccccc1)C(F)(F)F
BDBM51831 CSc1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1
BDBM51852 CCC(C(=O)NCCC[C@H]1CN2[C@H](CN=C2N1CCc1ccc(Cl)c(Cl)c1)C1CCCCC1)c1ccccc1 |c:14|
BDBM51932 CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1
BDBM54743 O=C1C=CC(=O)N1c1ccc(cc1)N1CCCCC1 |c:2|
BDBM55059 Oc1ccc2c(-c3ccccc3)c3ccc(=O)cc3oc2c1
BDBM58204 Clc1cc(Cl)cc(NC(=S)NCc2cccs2)c1
BDBM58344 [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
BDBM58143 COc1cc(C=C2SC(Nc3cccnc3)=NC2=O)cc(OC)c1OC |w:5.4,c:16|
BDBM57825 CC(=O)c1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1
BDBM57056 Oc1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(O)cc1
BDBM57152 Oc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1
BDBM57084 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NS(=O)(=O)c1ccc(NC(=O)c2c(Br)c(C)nn2C)cc1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
BDBM56320 COc1ccc(CCNC(=O)C(=O)NCC2CCCO2)cc1OC
BDBM56102 CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
BDBM56478 CN1CCN(CC1)C(=O)c1cc2c(nn(C)c2s1)C(F)(F)F
BDBM56455 COc1cccc(c1)C(=O)NN=Cc1ccc(OC2CSC2)cc1
BDBM60416 CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccccc1 |c:1|
BDBM60804 NC(=NN=Cc1ccc(O)c(O)c1)c1nonc1N |w:2.2,4.4|
BDBM60343 [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccc(cc1)N(C)C
BDBM60980 CC1=C2N=c3cc(O)ccc3=C2CCN1 |c:1,11,t:3|
BDBM59262 COc1cccc(c1)N(C(=O)c1ccn[nH]1)C1(CCCCC1)C(=O)Nc1c(C)cccc1C
BDBM59340 CC1(CC(=O)N=C2C=CC=CN12)C(=O)N(C(C(=O)NC1CCCC1)c1ccccn1)c1ccccc1 |c:7,9,t:5|
BDBM59866 O=C(CN1C(=O)C2CC=CCC2C1=O)NCC1COc2ccccc2O1 |c:8|
BDBM58824 CCOC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2CN(C)CCc12
BDBM58490 C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O
BDBM63149 CCOC(=O)c1cnc2ccccc2c1Nc1ccc2OCCOc2c1
BDBM63201 O=C(CN1CCN(Cc2ccccc2)CC1)NN=C\C=C/c1ccco1
BDBM62147 Cc1ccccc1CN1c2cc(ccc2Sc2ccccc2C1=O)C(=O)NCCCN1CCOCC1
BDBM61361 CCN1C(C)=C([C@@H](N=C1NCC(C)C)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|
BDBM61348 COc1ccc(\C=C2\N(C)C(=O)CNC2=O)cc1
BDBM66121 CN(C)\C=C1/C=C2N(C1=O)c1ccccc1C2=O |c:5|
BDBM66123 Nc1ccc2ccc3cccc[n+]3c2c1
BDBM66125 Cc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM66129 Nc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM66136 Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
BDBM64170 CC(C)(C)c1ccc(Cn2c3ccccc3ncc2=O)cc1
BDBM64026 Cn1ncc(c1C(=O)Nc1ccccc1Cl)[N+]([O-])=O
BDBM65189 O=C(Nc1nnc(o1)-c1ccccc1)c1cc(nc2ccccc12)-c1cccs1
BDBM65139 Oc1ccc2ccccc2c1C=NNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1 |w:12.14|
BDBM65177 [H]C12CCC(C)(C(C1)OCC[N+](C)(C)CC(=O)OC1CCCCC1)C2(C)C |TLB:8:6:24:3.2|
BDBM64835 Cc1ccc(C)c(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c1
BDBM63988 OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1
BDBM68112 Cc1c(CN2CCC(CO)(CCOc3ccccc3)CC2)[nH]c2c(Cl)cccc12
BDBM68694 NNc1ncnc2n(ncc12)-c1ccccc1
BDBM68734 CC(C)(C)C(=O)c1cnc(Nc2ccccc2)s1
BDBM68596 COc1cccc(c1)C1CC(c2ccc(Cl)cc2)n2nc(N)nc2N1
BDBM67168 Oc1cccc2ccc(\C=C\c3cccs3)nc12
BDBM67333 CN(C)c1ccc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2c1
BDBM67690 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
BDBM67378 CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3cc(C)on3)nc2c1
BDBM66966 COc1ccc(NC(=O)CN(C)C(=O)\C=C\c2ccc(cc2)S(=O)(=O)N2CCCCCC2)cc1
BDBM66626 CC(=O)OCCn1c2cc(C)c(C)cc2nc2c1nc(=O)[nH]c2=O
BDBM71207 CN(C)c1ccc(cc1Br)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
BDBM70641 Fc1ccc(Oc2nc(nnc2C(F)(F)F)-c2ccccc2)cc1
BDBM70363 CCN(CC)c1ccc2NCCCc2c1
BDBM70149 CC(=O)N1CCc2c(C1)sc(NC(=O)CCS(=O)(=O)c1ccccc1)c2C(N)=O
BDBM70773 Cc1[n-]n(-c2ccccc2)c(=O)c1[CH+]c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
BDBM69513 COc1ccc(cc1)-c1nn(CCC(O)=O)cc1C=NNC(N)=S |w:19.21|
BDBM69153 O=C(CSc1nnc(o1)-c1ccncc1)Nc1ccccc1C#N
BDBM69202 COc1cccc(c1)N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1
BDBM68886 COc1ccc(cc1)-c1nn(cc1C=NNS(=O)(=O)c1ccccc1)-c1ccccc1
BDBM69105 CCOC(=O)Cc1csc(NC(=O)c2c(O)c3ccccc3n(CCC(C)C)c2=O)n1
BDBM69221 COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccco2)n1
BDBM74123 CN(C1CCCCC1)C(=O)COc1ccc(Cl)cc1Br
BDBM74181 COC(=O)c1cccc(NC(=O)CC2N(CCNC2=O)C(=O)Nc2ccccc2)c1
BDBM74182 Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCCN1CCOCC1
BDBM74183 CC1CCN(CC1)C(=O)CSc1nc(N)c(NC(=O)c2ccccc2)c(=O)[nH]1
BDBM74184 CN1CCN(CC1)C(=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
BDBM74185 COc1ccc(CCN=C(N)NS(=O)(=O)c2ccc(F)cc2)cc1OC |w:8.7|
BDBM74186 Fc1ccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)cc1
BDBM74187 Nn1c(SCC(=O)Nc2ccc3OCCOc3c2)nncc1=O
BDBM74188 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
BDBM74189 COc1ccc(cc1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCc1ccccc1OC
BDBM74190 CN(C(=O)c1ccc2OCOc2c1)C1(C)CCS(=O)(=O)C1
BDBM74191 CC(C)c1nc(SCC(=O)N2CCCCCC2)c2c(n1)n(C)c(=O)n(C)c2=O
BDBM74192 CC(C)(Cc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
BDBM74193 COc1ccc(cc1OC)C(Sc1ccccc1)c1ccccc1
BDBM73659 O=[#7+]\[#6]=[#6]-1\[#6]=[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]=[#6]-1 |c:4,18|
BDBM73660 CCCCCCC1(C)NN(C(=S)N1)c1ccccc1
BDBM73661 Cc1c(C=NNC(=O)c2cccnc2)c2ccccc2n1Cc1ccccc1 |w:4.4|
BDBM73699 C[N+](C)(C)CCc1ccc(O)cc1
BDBM73700 COc1ccc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2C)cc1
BDBM73701 Nc1nc(N)c(Cc2ccc(Cl)cc2Cl)c(N)n1
BDBM73702 CCNc1nc(NCC)nc(N=NCc2ccc(cc2)N(C)C)n1 |w:11.10|
BDBM73703 Cc1cc(NC(=S)NC(=O)c2ccco2)c2ccccc2n1
BDBM73704 CC1CC1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1
BDBM73705 COCCNC(=O)NC(=O)CN1CCCc2ccccc12
BDBM73706 COCCOC(=O)C1=C(C)N(C(=S)NC1c1ccccc1C(F)(F)F)c1ccccc1 |c:7|
BDBM73707 CCN(CC(=O)Nc1ccc(cc1)N1CCOCC1)C(=O)COc1ccccc1OC
BDBM73708 Clc1ccc(Cl)c(n1)C(=O)OCC(=O)NCc1ccccc1
BDBM73709 O=C(CNC(=O)C1CCCCC1)OCn1nnc2ccccc2c1=O
BDBM73710 CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccccc1C(=O)c1ccccc1
BDBM73711 COc1ccccc1NC(=O)COC(=O)\C=C\c1ccc2OCOc2c1
BDBM73738 CSc1ccccc1NC(=O)Cn1ccsc1=N
BDBM73739 COC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)NCc1cccnc1
BDBM73740 CCOC(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)CC1
BDBM73741 CCN(CC)CCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1cc(OC)ccc1OC
BDBM73742 CCO[C@H]1OC(=C[C@@H](C2CCCCC2)[C@@H]1CCCO)C(=O)NCc1nc2ccccc2[nH]1 |c:5|
BDBM73772 N#CC12CNCC1CN=N2 |c:9|
BDBM73773 Cc1ccc(cc1)-n1c(O)c(C=NCCCn2ccnc2)c(=O)[nH]c1=O |w:12.13|
BDBM73774 Cc1cc(=O)[nH]c(N)n1
BDBM73805 CCOC(=O)c1cc(nc(SC)c1C#N)C(C)(C)C
BDBM73806 COCCCn1c(=O)cc(C)[nH]c1=S
BDBM73807 COC(=O)c1cc(OC)nc(OC)c1
BDBM73808 [H]C12CC(NC(=S)N3CCC(CC3)C(=O)OCC)C([H])(C1)C=C2 |c:23,THB:4:3:20:21.22|
BDBM73849 CCc1ccc(cc1)C(C)NC(=O)c1ccncc1
BDBM73850 CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
BDBM73889 Cc1cccnc1Nc1nc(cs1)-c1ccccc1
BDBM73890 [H]C12CC([H])(C=C1)C1C2C(=O)N(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C1=O |c:5,TLB:25:7:2:5.6,THB:9:8:2:5.6|
BDBM73970 Clc1cccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)c1 |c:19,t:11|
BDBM73971 COc1ccc(NC(=O)C2(CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC
BDBM73972 COc1ccccc1N1CCN(CC1)C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1
BDBM73973 COc1ccc(cc1)S(=O)(=O)CCC(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
BDBM73974 CCC1=Nc2cc(ccc2Sc2ccc(C)cc12)C(=O)NCCN1CCOCC1 |t:2|
BDBM73975 Cc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccccc1
BDBM73976 CCCCN(C)CCNC(=O)CN1C(=O)CSc2ccc(cc12)S(=O)(=O)N1CCCC1
BDBM73977 O=C(Cn1ccc2cc(ccc12)S(=O)(=O)N1CCCC1)NCCc1ccccc1
BDBM73978 CCC(=O)N1CCN(CC1)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1
BDBM73979 COc1ccc(cc1)-c1nnc(SCC(=O)NC2CCCCC2)[nH]1
BDBM73980 COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCC1
BDBM74049 CN1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccc(F)cc2)C1=O
BDBM74050 COc1ccc(Cl)cc1NC(=O)CC(C)=NNC(=O)C(=O)NCc1ccccc1 |w:15.16|
BDBM74051 Cc1ccc(cc1)N1CC(CC1=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM74052 CC(C)NC(=O)C(N(C(=O)CCC(=O)Nc1ccccn1)c1ccc(C)cc1)c1ccc(F)cc1
BDBM74053 [O-][N+](=O)c1ccccc1S(=O)(=O)N(CC1CO1)c1ccccc1
BDBM74054 Clc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(Cl)c1
BDBM74055 CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)Nc1cc(C)cc(C)c1
BDBM74056 Cc1cccn2c1nc1sc(cc1c2=O)C(=O)NC1CCCCC1
BDBM74057 Cc1cc(C)cc(NC(=O)CCCN2C(=O)C(Oc3cccnc23)c2ccccc2)c1
BDBM74058 CCCCNC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
BDBM74059 CC(C(=O)NCc1ccc(Cl)cc1)n1cccc1C(=O)c1ccccc1
BDBM74060 Cc1ccc(CCN2CC(CC2=O)C(=O)NC2CCCCC2)cc1
BDBM74061 O=C(NCCCN1CCCCC1)C1CN(CCc2ccccc2)C(=O)C1
BDBM74062 Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
BDBM74145 COc1ccc(CCNC(=O)C2CCC(CC2)C(C)(C)C)cc1OC |(8.41,-8.86,;7.08,-8.09,;7.08,-6.54,;8.41,-5.78,;8.41,-4.24,;7.08,-3.47,;7.08,-1.93,;8.41,-1.16,;8.41,.39,;9.75,1.16,;11.08,.39,;9.75,2.7,;8.41,3.47,;8.41,5,;9.75,5.78,;11.08,5,;11.08,3.47,;9.75,7.32,;9.75,8.86,;11.29,7.32,;8.21,7.32,;5.75,-4.24,;5.75,-5.78,;4.41,-6.54,;3.08,-5.78,)|
BDBM74146 Fc1ccc(cc1)N1C2CS(=O)(=O)CC2SC1=NC(=O)C1CC1 |w:17.20|
BDBM74147 CCCCc1cc(=O)oc2cc(OCC(=O)NCCN3CCOCC3)ccc12
BDBM74148 CC(C)N(Cc1nc(no1)-c1ccccc1)C(=O)c1ccoc1C
BDBM74149 O=C(COc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1)N1CCCC1
BDBM74150 COC(=O)c1ccc(C=NNC(=O)C2CN(C(=O)C2)c2ccc(F)cc2)cc1
BDBM74151 [H][C@]12CN(C[C@]([H])(C1)c1cccc(=O)n1C2)C(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O |TLB:9:8:7:3.2.4|
BDBM74152 Cc1cc(OCC(=O)NCc2ccncc2)c2c3CCCc3c(=O)oc2c1
BDBM74153 CN(C1CCS(=O)(=O)C1)C(=O)CN1C(=O)S\C(=C/c2ccc(Cl)cc2)C1=O
BDBM74154 C=CCN(CC=C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
BDBM74155 Clc1ccc(CCNC(=O)CNC(=O)N2CC(=O)Nc3ccccc23)cc1
BDBM74156 CCOc1ccccc1CN1CCNC(=O)C1CC(=O)NCCc1ccccn1
BDBM74157 CN(c1c(C)cc(C)c(c1C)S(N)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1
BDBM74158 COc1ccc(CCN2CCCC(CN(C)C(=O)c3ccoc3)C2)cc1
BDBM74159 Fc1cccc(CN2CCNC(=O)C2CC(=O)NCCCN2CCCC2=O)c1
BDBM73662 COc1cccc2cc(oc12)C(C)N(CCCN1CCOCC1)C(=S)Nc1cccc(C)c1
BDBM73663 CCOc1ccc(cc1)-n1c(O)c2ON(C(c3ccco3)c2c1O)c1ccccc1
BDBM73664 Fc1ccccc1NC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O
BDBM73665 CN(Cc1ccccc1)C(=O)C1CCCN1S(=O)(=O)c1ccc2n(C)c(=O)c(=O)n(C)c2c1
BDBM73666 CC(C)C1COC(=N1)c1cccn1Cc1ccccc1Cl |c:6|
BDBM73667 Cc1cccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
BDBM73668 Fc1cccc(NC(=O)CCn2c3ccccc3oc2=S)c1
BDBM73669 CCOC(=O)N1CCC(CC1)NC(=O)c1cc(ccc1CO)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM73775 Cc1ccc(cc1)-c1ccc(\C=C(/C#N)C(N)=S)n1C
BDBM73776 CN(C)c1ccc(\C=C2/S\C(=N\CC=C)N(CC=C)C2=O)cc1
BDBM73777 CCN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:7.7|
BDBM73809 CCOC(=O)C(C(Nc1ccc(F)cc1)c1ccccn1)c1ccccc1
BDBM73810 Cc1cc(CSC(N)=N)c(CSC(N)=N)cc1C
BDBM73811 CC(=O)c1nnn(c1C)-c1ccc(Cl)cc1C#N
BDBM73851 CCCCN1C(=O)C2(OCCCO2)c2cccc(C)c12
BDBM73852 CN(C)C(=O)Cn1c2ccccc2n(c1=O)S(=O)(=O)c1ccccc1
BDBM73853 Clc1ccc(C(=O)CC=Nc2ccccc2)c(Cl)c1 |w:9.9|
BDBM73891 Cc1ccc(cc1Cl)C(=O)Nc1cccnc1
BDBM73892 CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1
BDBM73893 Cc1ccc(cc1)-c1noc(n1)C1CCCN(C1)C(=O)c1cccc(F)c1
BDBM73933 Clc1ccc(OCCNc2ncccc2C#N)cc1
BDBM73981 CC(=O)CCC(C)=O
BDBM74063 CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
BDBM74064 COc1ccc(OCc2cc(no2)C(=O)N2CCN(CC3CC3)CC2)c(Cl)c1
BDBM74160 O=CN1CCN(CC1)C(=O)c1ccc2OCOc2c1
BDBM73671 [#6]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
BDBM73778 COC(=O)c1ccc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)cc1
BDBM73779 Oc1cccc(C=NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1
BDBM73780 OC(=O)CCNC(=O)CCCn1nnc2ccccc2c1=O
BDBM73781 CCN1CCN(CC1)C(c1nnnn1CCc1ccc(OC)c(OC)c1)c1ccccc1
BDBM73782 NC(=O)C1CCN(CC1)C(c1nnnn1Cc1ccc2OCOc2c1)c1ccccc1Cl
BDBM73783 Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1S(=O)(=O)N1CCOCC1
BDBM73784 CC(=O)Nc1ccc2nc(NC(=O)c3ccc(s3)[N+]([O-])=O)sc2c1
BDBM73785 [H]C12CC3([H])CC([H])(C1)CC(CCN1[C@H](CNC1=S)C(C)CC)(C2)C3 |TLB:5:3:23:6.9.8,THB:2:1:9:3.24.5,2:3:9:1.23.8|
BDBM73812 Cc1cc(C)cc(NC(=O)N2CCCN(CC2)c2ncccc2[N+]([O-])=O)c1
BDBM73813 COc1cc(C)nc(n1)-c1csc(C)n1
BDBM73814 Cc1noc2c(C)nn(-c3ccc(C)cc3)c(=O)c12
BDBM73854 COc1ccccc1N1CCN(CC1)C(=O)c1cc2cc(C)ccc2[nH]1
BDBM73855 COC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)NC(C)CCc1ccccc1
BDBM73856 COc1ccc2[nH]cc(CCNC(=O)C3CCCCC3)c2c1
BDBM73857 CC(C(=O)O[N-]C(=[NH2+])c1ccc(C)cc1)c1ccc(cc1)[N+]([O-])=O
BDBM73858 COc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM73859 COc1ccc(cc1)N=CCC(=O)c1cc(OC)c(OC)c(OC)c1 |w:8.8|
BDBM73860 CCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
BDBM73861 COc1ccccc1C=CC(=O)NC(=S)Nc1ccccn1 |w:8.8|
BDBM73894 O=C(C1c2ccccc2Oc2ccccc12)N(CCC#N)CCC#N
BDBM73895 O=C(N1CCCCC1)c1cccc2ccccc12
BDBM73896 COCCNC(=S)N1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1
BDBM74065 FC(F)(F)c1cccc(c1)C(=O)N1CCC(CC1)n1nccc1NC(=O)C1CC1
BDBM74066 Cc1cccc(C)c1OCc1cc(no1)C(=O)NC1CCC(O)CC1 |(3.08,-5.82,;4.41,-6.59,;4.41,-8.13,;5.75,-8.9,;7.08,-8.13,;7.08,-6.59,;8.41,-5.82,;5.75,-5.82,;5.75,-4.28,;7.08,-3.51,;7.08,-1.97,;8.33,-1.07,;7.85,.4,;6.31,.4,;5.84,-1.07,;8.76,1.64,;10.29,1.48,;8.13,3.05,;9.04,4.29,;8.41,5.7,;9.31,6.95,;10.85,6.79,;11.75,8.03,;11.47,5.38,;10.57,4.13,)|
BDBM74067 Cc1cc(C)n(n1)-c1ccc(NC(=O)C2CCCCN2C(=O)c2ccoc2)cc1
BDBM74068 FC(F)(F)c1ccccc1CN1CCNC(=O)C1CC(=O)NC1CCC1
BDBM74069 COCCC1CCCCN1C(=O)c1cccc(OC2CCN(CC2)S(C)(=O)=O)c1
BDBM74070 COc1ccc(cc1OC1CCN(CC1)C(C)=O)C(=O)NC(C)Cn1nc(C)cc1C
BDBM74071 Cc1cccn2c(CNCCc3ccccn3)c(nc12)C(=O)N1CCOCC1
BDBM74072 Cc1cccc(c1)-c1nnc(SCC(=O)NC2CC2)n1C
BDBM74073 CC(=O)NC(Cc1cccc(C)c1)C(=O)NC1CCN(CC1)S(=O)(=O)c1ccccc1
BDBM74161 CC(C)n1cc(CN2CCC(CC2)Oc2ccc(cc2)C(=O)N2CCCC2)cn1
BDBM74162 Cc1cccc(c1)N(Cc1ccccc1)C(=O)c1ccc(cc1)S(C)(=O)=O
BDBM73624 Cc1[nH]c(=O)c(C#N)c(C)c1[N+]([O-])=O
BDBM73625 Cc1ccccc1C(=O)Nc1sc2CCCc2c1C(O)=O
BDBM73626 COc1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1
BDBM73627 Cc1sc2nc(SCc3ccc(cc3)C(=O)NCCO)n(CC=C)c(=O)c2c1C
BDBM73628 COc1ccc(cc1)-c1csc2ncn(CC(=O)N3CCOCC3)c(=O)c12
BDBM73629 CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
BDBM73630 CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2C)cc1
BDBM73743 O=C(Nc1nncs1)\C=C\c1cccs1
BDBM73744 Cc1ccc(o1)C(=O)N1C(=O)c2cccc(N)c2C1=O
BDBM73745 Clc1ccc(CNC(=O)COC(=O)c2cncc(Br)c2)cc1
BDBM73746 OC(=O)C(CC(N=O)c1ccc(Br)cc1)P(=O)(c1ccccc1)c1ccccc1
BDBM73747 NC(=O)COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
BDBM73748 CCCOc1ccc(C=NNC(=O)CSc2ccccn2)cc1OC
BDBM73749 NC(=NOC(=O)c1cccc2ccccc12)c1ccccn1 |w:2.2|
BDBM73750 CN1C(C)=C(C(NC1=O)c1ccccc1C(F)(F)F)[N+]([O-])=O |c:3|
BDBM73751 Cc1ccc(c(C)c1)-n1c(O)c2[nH][nH]c(C(=O)CN3C(=O)c4ccccc4C3=O)c2c1=O |(16.23,-6.57,;15.76,-5.11,;16.78,-3.96,;16.31,-2.5,;14.8,-2.18,;13.77,-3.33,;12.26,-3.01,;14.25,-4.79,;14.32,-.72,;15.22,.53,;16.76,.53,;14.32,1.77,;14.31,3.31,;12.85,3.77,;11.95,2.54,;10.41,2.54,;9.64,1.2,;9.64,3.87,;8.1,3.87,;7.2,5.11,;7.68,6.57,;5.75,4.64,;4.41,5.41,;3.08,4.64,;3.08,3.1,;4.41,2.33,;5.75,3.1,;7.2,2.63,;7.68,1.17,;12.85,1.3,;12.85,-.24,;11.61,-1.15,)|
BDBM73752 COc1ccccc1-n1c(O)c2[nH][nH]c(C(=O)CN3C(=O)c4ccccc4C3=O)c2c1=O |(11.24,-4.89,;12.26,-3.74,;13.77,-4.06,;14.25,-5.52,;15.76,-5.84,;16.78,-4.69,;16.31,-3.23,;14.8,-2.91,;14.32,-1.45,;15.22,-.2,;16.76,-.2,;14.32,1.04,;14.31,2.57,;12.85,3.04,;11.95,1.8,;10.41,1.8,;9.64,.47,;9.64,3.14,;8.1,3.14,;7.2,4.38,;7.68,5.84,;5.75,3.91,;4.41,4.68,;3.08,3.91,;3.08,2.37,;4.41,1.6,;5.75,2.37,;7.2,1.9,;7.68,.43,;12.85,.56,;12.85,-.98,;11.61,-1.88,)|
BDBM73753 [O-][N+](=O)c1cccc(c1)C(=O)c1ccc2OCCOCCOCCOCCOc2c1
BDBM73754 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1
BDBM73755 Cc1ccc(NC(=O)C(\NC(=O)c2ccco2)=C/c2ccccc2)cc1
BDBM73756 CCc1cc(c(O)cc1OC)-c1nc(N)ncc1-c1ccc(Br)cc1
BDBM73815 CNc1nnc(s1)C(F)(F)F
BDBM73816 COc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12
BDBM73817 FC(F)(F)c1cccnc1-n1cncn1
BDBM73897 COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCCO2)c1
BDBM73898 Clc1ccc(Cn2cnc3ccccc3c2=O)cc1Cl
BDBM73899 CCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cn1
BDBM73936 COc1cc2ccccc2cc1C(=O)Nc1nccs1
BDBM73937 COc1ccc(CNC(=O)CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
BDBM73938 Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
BDBM73982 CN(C)N=O
BDBM73983 COc1cccc(CN2CC(CCC2=O)C(=O)N(C)Cc2ccc(C)cc2)c1
BDBM73984 Cc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)s1
BDBM73985 CCN(CCn1cccn1)C(=O)c1cc(COc2cc(C)ccc2C)on1
BDBM74163 COc1ccc(CCNC(=O)c2cc(C)oc2C)cc1
BDBM73758 CN1CCc2c(C1)sc(N=Cc1c[nH]c3ccccc13)c2C#N |w:9.9|
BDBM73759 COc1ccc(CC(=O)NN=Cc2ccc(o2)-c2cccc(c2)C(O)=O)cc1OC
BDBM73760 COCCCn1c(=O)c(=Cc2ccc(OC(F)F)c(OC)c2)sc1=C(C#N)C(N)=O
BDBM73761 Cc1cc(O)c(C(=O)C=Cc2cccc(c2)[N+]([O-])=O)c(=O)o1 |w:9.9|
BDBM73762 CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2c(F)cccc2Cl)o1
BDBM73763 CN(C)c1ccc(cc1)P(=O)(OCc1ccccc1)C(O)c1ccc(C)cc1
BDBM73764 CN(C)CCN1C(C(C(=O)c2c(C)nc3c(C)cccn23)C(=O)C1=O)c1ccccc1
BDBM73765 COc1ccc(CCN2C3CS(=O)(=O)CC3SC2=NC(=O)CC(C)C)cc1OC |w:18.20|
BDBM73766 CC(=O)Oc1cccc(\C=C2/Sc3ccccc3C2=O)c1
BDBM73818 CSc1nnc(o1)-c1ccc(cn1)C(F)(F)F
BDBM73819 CSCC(O)Cn1[nH]c(=O)c2cc(Cl)c(Cl)cc2c1=O
BDBM73820 CC(C)(C)C(=O)Nc1ccc(F)cc1[N+]([O-])=O
BDBM73821 CN(C)c1ccc(cc1)-c1cc(ccc1F)[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:20|
BDBM73822 CC12CCC3C(CCC4=Cc5oncc5CC34C)C1CC[C@@]2(O)C#C |t:8|
BDBM73823 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|
BDBM73824 CC(C)N(Cc1ccc(cc1)N(C)C)C(=O)c1c(C)onc1-c1ccccc1Cl
BDBM73825 CC(C)CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
BDBM73900 CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC(=O)NC(C)C)CC2)c1
BDBM73901 Cc1ccc(cc1)-c1nc(NCCCO)c2ccccc2n1
BDBM73902 CC(C)CC(=O)N1CCN(CC1)C(=O)c1ccc(F)cc1
BDBM73939 OC(=O)c1ccccc1SCc1csc(n1)-c1ccccc1
BDBM73940 COc1ccc(OC)c(NC(=O)CC2(CC(O)=O)CCCC2)c1
BDBM73941 Fc1cc(Cl)c(cc1F)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1
BDBM73942 CN(C)CCNC(=O)C(=O)Nc1cc2CCN3c2c(CCC3=O)c1
BDBM73986 CC(C)(C)C(=O)Nc1ccnn1C1CCN(CC1)C(=O)c1ccc(Cl)cc1F
BDBM73987 COCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCCC(CCCO)C1
BDBM73988 Fc1ccc(cc1)N1CCN(CC1)C1CCCN(C1)C(=O)CCN1CCCCO1
BDBM73989 COc1ccc(OCc2cc(no2)C(=O)N(C)Cc2cc(C)no2)c(Cl)c1
BDBM73990 CCc1ccc(CN(C)C(=O)C2CCC(=O)N(CCc3ccc(OC)cc3)C2)nc1
BDBM74075 CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C1)C(=O)c1ccoc1C
BDBM74076 CCOC(=O)C1CCCN(C1)C(=O)c1cc(COc2ccc(C)nc2)on1
BDBM74077 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccccc1Cl
BDBM74078 CC(C)OCCCNC(=O)CN1C(=O)CSc2ccc(cc12)S(=O)(=O)N1CCCCC1
BDBM74079 O=C(CN1C(=O)CSc2ccc(cc12)S(=O)(=O)N1CCCCC1)NCc1ccccc1
BDBM74080 CC1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O
BDBM74081 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cn(C)cn1
BDBM74082 CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc2c(C(O)=O)c(C)oc2c2ccccc12
BDBM74083 CC1Sc2ccc(cc2NC1=O)S(=O)(=O)CCC(=O)N1CCN(CC1)c1cccc(Cl)c1
BDBM74084 COc1ccc(N(C)C(=O)c2cc3COc4ccccc4-c3s2)c(OC)c1
BDBM74085 Clc1ccc(cc1)S(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccccc1
BDBM74086 CCn1cc(C(=O)NCCCOC)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCC1
BDBM74087 CN(CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)CCc1ccccc1
BDBM74088 COc1ccc(cc1)C(=O)Nc1ccnn1C1CCN(CC2CCC=CC2)CC1 |c:26|
BDBM74089 C\C=C(/C)CN1CCC(CC1)n1nccc1NC(=O)c1ccc2OCOc2c1
BDBM74090 Cc1onc(c1C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
BDBM74091 COCc1ccc(s1)C(=O)N1CCCC(C1)Nc1ccc(F)c(F)c1
BDBM74092 COc1ccc(CCN2CC(CCC2=O)C(=O)N(C)Cc2ccccc2OC)cc1
BDBM74093 COCCc1nc2ccc(cc2o1)C(=O)N1CCCC(CCCO)C1
BDBM74094 CN(CCOc1ccc(C)cc1)C(=O)c1cc(COc2ccc(F)cc2F)on1
BDBM74095 CC(C)c1ccc(NC2CCCN(C2)C(=O)c2c(C)noc2C)cc1
BDBM74096 Cc1ccc(cn1)C(=O)N1CCCC(CCC(=O)N2CCN(CC2)c2ccccn2)C1
BDBM74097 CCN1C(=O)NC(=O)\C(=C/c2cn(CC(=O)N3CCCCC3C)c3ccccc23)C1=O
BDBM74098 [O-][N+](=O)c1cccc(NC(=O)NNC(=O)CCN2CCN(Cc3ccccc3)CC2)c1
BDBM74099 COc1cc(Cl)ccc1OCc1cc(no1)C(=O)NC1CCc2ccccc12
BDBM74100 COCCC1CCCCN1C(=O)c1cc(COc2ccc(C)nc2)on1
BDBM74101 COc1ccc(NC2CCCN(C2)C(=O)CCN2Cc3ccccc3C2=O)cc1
BDBM74102 Brc1ccc2oc(cc2c1)C(=O)N1CCN(CC1)c1ccccc1
BDBM74103 COc1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc(OC)c1OC
BDBM74104 Clc1cccc(NC(=O)CCNC(=O)N2CC(=O)Nc3ccccc23)c1
BDBM74105 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCCC(=O)NCc1ccccc1OC
BDBM74106 COc1cccc(\C=C2/SC(=S)N(C(C)C(=O)NC3CS(=O)(=O)C=C3)C2=O)c1 |c:23|
BDBM74107 CC(Oc1ccc2c3CCCCc3c(=O)oc2c1)C(=O)NCCN1CCOCC1
BDBM74108 CN1CCN(CC1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
BDBM73631 NNC(=O)CCc1nc2ccc(O)cc2[nH]1
BDBM73632 Cc1cc(C)c(NC(=O)c2cc(ccc2C(O)=O)C(O)=O)c(c1)[N+]([O-])=O
BDBM73670 CCCCC(C(N)Cc1ccc(F)cc1)C(=O)OCC
BDBM73672 CC1(C)CNC(=O)CC(C)(C)N1
BDBM73673 O=C(NCCc1ccccc1)c1cnc2SCCn2c1=O
BDBM73674 CCN(CC)CCN(C(=O)c1cccc(c1)[N+]([O-])=O)c1nc2ccc(OC)cc2s1
BDBM73862 S=C(NCc1ccccc1)NN=Cc1cccs1 |w:11.11|
BDBM73863 Cc1cccc(N2CCN(CC2)C(=O)Cc2ccccc2[N+]([O-])=O)c1C
BDBM73864 CCOC(=O)N1CCN(CC1)C(=O)c1cc2cc(C)ccc2[nH]1
BDBM73903 CCN(CC)C(=O)C1c2ccccc2Oc2ccccc12
BDBM73904 COc1cccc(CNCCc2cccc(F)c2)c1OC
BDBM73905 Cc1c(CC(O)=O)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
BDBM73943 COc1ccc(cc1)C(=O)NC(CCSC)C(=O)N1CCCCCC1
BDBM73944 CCOc1c(C)cnc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12
BDBM73945 CCCCc1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
BDBM73946 COCCNC(=O)C(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23
BDBM73947 Cc1cccc(c1)-c1nc2Oc3c(C)ncc(CO)c3Cc2c(SCC(=O)N2CCOCC2)n1
BDBM73948 OCCCNC(=O)C(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23
BDBM73949 CCN(CC)CCNC(=O)C(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23
BDBM73950 CN(Cc1c(F)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccc(cc1)C(C)=O
BDBM73951 COc1ccc(cc1)C(=O)C1CCN(CC(=O)Nc2ccc(OC)cc2OC)CC1
BDBM73952 COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCCN(C1)S(=O)(=O)c1ccc(C)cc1
BDBM73953 Oc1ccc(cc1)C(=O)NN=Cc1c[nH]c2ccccc12 |w:10.10|
BDBM73954 Cc1ccc(cc1)S(=O)(=O)NCCNS(=O)(=O)c1ccc(C)cc1
BDBM73955 CC1=Nc2nc(CCCO)nn2C(C1C(N)=O)c1ccc(Br)cc1 |t:1|
BDBM73956 Cn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N
BDBM73957 COc1ccc(cc1[N+]([O-])=O)-c1nn(CCC#N)cc1C(=O)Nc1cccc(c1)C(O)=O
BDBM73992 CCOc1ccc(cc1)N(C)S(=O)(=O)c1ccc(s1)-c1ccc(=O)[nH]n1
BDBM73993 CCC(C)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCc1ccccn1
BDBM73994 CN(Cc1c(nc2ccc(Cl)cn12)C(=O)N1CCCCCCC1)C1CCOC1
BDBM73995 Fc1cccc(CN2CC(CCC2=O)C(=O)NC2CCC2)c1
BDBM73996 FC(F)(F)c1cccc(CN2CCCC(C2)C(=O)Nc2cccc(c2)-n2cnnn2)c1
BDBM73997 COCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N(C)CCCC1CCCC1
BDBM73998 [O-][n+]1ccc(cc1)C(=O)N1CCCC(C1)N1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM73999 NC(=O)C1CCCN(Cc2c(nc3ccc(Cl)cn23)C(=O)N2CCc3ccccc3C2)C1
BDBM74000 COc1ccc(NC(=O)C2CCCN(C2)c2nn3c(nc(C)cc3=O)s2)c(OC)c1
BDBM74001 CCN1CCN(CC1)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1
BDBM74002 CC(NC(=O)c1cc(COc2cccc3cnccc23)on1)c1cnn(C)c1C
BDBM74003 CN(C1CCOCC1)C(=O)CCc1nnc(o1)-c1ccc(cc1)-c1ccccc1
BDBM74004 CC(C)Oc1ccc(CNC(=O)CCC(=O)N2CC(C)Sc3ccccc23)cc1
BDBM74005 Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(cc12)S(=O)(=O)N1CCCC1
BDBM74006 COc1ccc(NC(=O)CCCN2C(=O)C(Oc3cccnc23)c2ccccc2)cc1
BDBM74007 CCCNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
BDBM74008 O=C(COc1ccccc1)NC1CCCCCCC1
BDBM73633 Brc1ccc(cc1)S(=O)(=O)NNC(=O)c1cccs1
BDBM73634 CCOC(=O)N1CC(=O)Nc2ccc(Br)cc2C1c1ccccc1
BDBM73712 Brc1ccc(\C=C\C(=O)Nc2nccs2)o1
BDBM73713 CCn1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)c(=O)c2ccc(C)nc12
BDBM73714 [H]C12CCC3(C)C1(C)COC3(C2)C(=O)Nc1ccc2ccccc2c1 |TLB:3:4:1.11:9.8,2:1:4:9.8,THB:8:6:10.11:3.2,5:4:1.11:9.8,7:6:10.11:3.2|
BDBM73768 CC(C)N1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:8.8|
BDBM73786 [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccc(-[#6])c(-[#6])c1 |w:2.2|
BDBM73787 O=C(CN1CCN(CC1)c1ccccn1)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM73788 NNc1ccc(Cl)c(c1)C(O)=O
BDBM73789 Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(Cc1ccccc1)c3=O
BDBM73865 COc1cc(ccc1-n1c(O)cc(Sc2nccc(C)n2)c1O)[N+]([O-])=O |(3.08,-2.76,;4.41,-1.99,;5.75,-2.76,;5.75,-4.3,;7.08,-5.07,;8.41,-4.3,;8.41,-2.76,;7.08,-1.99,;7.08,-.45,;5.84,.45,;4.37,-.02,;6.31,1.92,;7.85,1.92,;8.76,3.16,;8.13,4.57,;9.04,5.82,;8.41,7.22,;6.88,7.38,;5.97,6.14,;4.44,6.3,;6.6,4.73,;8.33,.45,;9.79,-.02,;7.08,-6.61,;8.41,-7.38,;5.75,-7.38,)|
BDBM73866 COc1ccccc1N1CCN(CC1)c1cc(O)n(c1O)-c1cccc(Cl)c1
BDBM73867 CCc1n(nc2ccccc12)-c1ccccc1C(=O)C(C)=O
BDBM73906 Clc1ccccc1C1=NOC(C1)C(=O)Nc1ccc2OCCOc2c1 |t:8|
BDBM73907 OC(=O)c1sccc1Oc1ccccc1NC(=O)c1ccccc1F
BDBM74009 [O-][N+](=O)c1ccc(\C=C(\NC(=O)c2ccco2)C(=O)N2CCOCC2)cc1
BDBM74010 CC(C)n1cc(CN2CCC(CC2)n2nccc2NC(=O)c2ccccc2C)cn1
BDBM74011 CC(C)Cc1ccc(CN2CCCC(C2)NC(=O)c2cccc(c2)-n2cnnc2)cc1
BDBM74012 O=S(=O)(N1CCCCC1)c1ccc2[nH]c3CCCCc3c2c1
BDBM74013 Clc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1
BDBM74014 COc1ccc(OC)c(c1)N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1
BDBM74015 CCN(CC)c1ccc(NC(=O)CCc2nnc3ccc(nn23)N2CCCC2)c(C)c1
BDBM74016 COc1ccc(cc1OC1CCN(Cc2ccc(SC)cc2)CC1)C(=O)NC1CC1
BDBM74017 CN(CC1COCCO1)C(=O)c1cc(COc2c(F)cccc2F)on1
BDBM74018 Clc1cccc(c1)N1CCN(CC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)CC1
BDBM74019 CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1C
BDBM74074 Cc1cc(nn1CC(=O)NC1CCCCC1)[N+]([O-])=O
BDBM73635 COc1ccccc1NC(=O)C(\NC(=O)c1ccco1)=C/c1cccs1
BDBM73636 CCOc1ccc(CC(=O)Nc2nccs2)cc1OCC
BDBM73637 COc1cc(cc(OC)c1OC)C(=O)NCCCn1ccnc1
BDBM73675 Cc1nnsc1C(=O)Nc1cccc(Cl)c1
BDBM73676 FC(F)(F)c1cccc(CSc2nc3ccccn3c(=O)n2)c1
BDBM73677 CN(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1
BDBM73715 Cn1c2ccccc2sc1=NC(=O)C1=NNC(=O)CC1 |w:10.12,t:15|
BDBM73716 CCOC(=O)c1ccc(cc1)\N=c1/scc(C)n1CC
BDBM73717 CN(C)C(C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1
BDBM73718 CC(=O)N(N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1)C(C)=O
BDBM73790 OC(=O)Cc1sc(N=NCc2ccccn2)nc1O |w:7.6|
BDBM73791 OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3ccccc3O)sc2=O)c1
BDBM73826 Clc1ccc(CC(=O)N2CCc3ccccc3C2)cc1
BDBM73827 Cc1ccc(Sc2ncccc2N)cc1
BDBM73868 Cc1cc(C)nc(Sc2cc(O)n(c2O)-c2ccc(C)c(C)c2)n1
BDBM73908 Cc1cc(O)c(C(=O)C=Cc2ccccc2O)c(=O)o1 |w:9.9|
BDBM73909 COC(CN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1)OC
BDBM73910 CCOc1ccc2n(C)c3nc4ccccc4nc3c2c1
BDBM73638 COc1ccc(NC(=O)CSc2nc3cccnc3n2C)cc1
BDBM73639 COc1ccc(cc1)C(N)=NOC(=O)N1CCOCC1 |w:10.11|
BDBM73640 CCOc1ccccc1Cn1c2ccccc2sc1=O
BDBM73678 Cc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1
BDBM73679 Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)c1ccccc1F
BDBM73680 [#6]-[#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]\[#7]=[#6](\c1ccccc1)-c1ccccc1
BDBM73719 [#6]-[#7]-1\[#6](=[#6]/[#6]=[#6](/C#N)C#N)C([#6])([#6])c2ccccc-12
BDBM73720 CSc1nc(cn1-c1ccc(NC(C)=O)cc1)-c1ccccc1
BDBM73770 O=C(\C(=C/[C-](C#N)C#N)[n+]1ccccc1)c1ccccc1
BDBM73792 COc1ccc(CCN2C(=O)NC(=O)C(=CNc3ccc(F)cc3)C2=O)cc1OC |w:15.15|
BDBM73793 COc1ccc(Cl)cc1NC(=O)c1cc(n[nH]1)-c1ccc(C)cc1O
BDBM73828 COc1ccccc1C(=O)CC(=O)c1ccccc1
BDBM73829 CCOC(=O)c1cc2cc3ccccc3cc2oc1=O
BDBM73830 COc1ccc(cn1)-n1c(C)ccc1-c1ccccc1
BDBM73869 Fc1ccc(CCNC(=O)CCc2ccccc2)cc1
BDBM73870 COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1O
BDBM73911 CC(C)CN(CCNC(=O)CN1N=C(CCC1=O)c1ccc(C)cc1)CC(C)C |c:12|
BDBM73912 COc1ccc(cc1)N1C(SCC1=O)c1cccc(F)c1
BDBM73913 Brc1ccc(NC(=O)CCN2CCCCC2)c(c1)C(=O)c1ccccc1
BDBM74109 CCCCCCCCc1ccc(O)cc1
BDBM74110 Fc1ccc(cc1)N1CCN(CC1)C1CCCN(C1)C(=O)c1cc(on1)C1CC1
BDBM74142 Nc1nnc(SCCCOc2ccc(F)cc2)s1
BDBM74173 COc1ccc(CCNC(=O)c2cccn2C)cc1
BDBM73641 COc1ccccc1NC(=O)C(=O)NN=C(C)CC(=O)Nc1ccccn1 |w:14.14|
BDBM73642 CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1C
BDBM73643 CCC(N1CCC(CC1)C(N)=O)c1nnnn1C1CCCC1
BDBM73681 Fc1ccc(cc1)S(=O)CC(=O)Nc1ccccc1Cl
BDBM73682 NC(=S)Nc1ncc(cc1Cl)C(F)(F)F
BDBM73683 Cc1cc(C)cc(NC(=O)C(=S)NCc2ccccc2)c1
BDBM73721 [H]C12CC3([H])CC(Cl)(C1)CC(C2)(C3)C(=O)OCC(=O)Nc1ccc(OC)cc1OC |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
BDBM73722 [O-][n+]1ccc(cc1)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1
BDBM73723 COC(=O)c1cc(NC(=O)c2ccccc2F)cc(c1)C(=O)OC
BDBM73724 Cc1cc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)no1
BDBM73725 Oc1ccccc1N1CCN(CC1)C(=S)NCc1ccccc1
BDBM73726 CC(OC(=O)c1ccc(cc1)S(=O)(=O)N(C)C)C(=O)Nc1ccc(Cl)cn1
BDBM73757 CCC(C)[C@H](NC(=O)NCCC1=CCCCC1)C(O)=O |t:11|
BDBM73794 COc1ccc(C(C)=NN2CCOCC2)c(O)c1 |w:8.8|
BDBM73795 O=C(NC1CCCCC1)C1(CCCCC1)N(CC1CCCO1)C(=O)c1ccccn1
BDBM73796 O=C(N1CCC2(CC1)OCCO2)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O
BDBM73797 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCN1CCOCC1 |c:31,t:5,7|
BDBM73798 COCCN1C=C2C(=CC(=O)C(C)(OC(=O)CCc3ccccc3)C2=O)C=C1c1ccc(cc1)C#N |c:5,7,28|
BDBM73799 COC(=O)CCCC1=CC2=C(C(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CN1C1CC1)c1ccccc1 |c:27,t:7,9|
BDBM73800 O=C(CN1CCOCC1)Nc1nc(cs1)-c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1
BDBM73801 COCCNC(=O)CN(Cc1ccc2OCOc2c1)C(=O)CCC(=O)Nc1nccs1
BDBM73802 COc1ccc(\C=C\C(=O)Nc2nnc(s2)C(C)C)cc1OC
BDBM73831 COC(=O)c1ccc(SCc2ccccc2)nc1
BDBM73832 CC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)cc1
BDBM73833 CN(C)C(=NS(=O)(=O)c1ccccc1)c1ccc(F)cc1
BDBM73871 CC1(C)CC(C)(c2ccccc2)c2ccccc2N1C(N)=O
BDBM73872 CC(NC(=O)CCC(=O)N1CCCCCC1)c1ccccc1
BDBM73873 COc1ccc(cc1)C(N(CCO)C(=O)c1snc(C(N)=O)c1N)C(=O)NCCC(C)C
BDBM73874 CC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(C1)c1ccccc1 |t:1|
BDBM73914 COc1ccc2CCC(=O)c3cccc1c23
BDBM73915 CC(N=Nc1nncc2ccccc12)c1ccc(O)cc1 |w:3.3|
BDBM74047 COc1ccc(NC(=O)CSc2cnn[nH]2)c(OC)c1
BDBM74048 CCCCN=O
BDBM74111 Cc1ccc(OCCNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)cc1
BDBM74112 COc1ccc(CC(=O)N(Cc2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
BDBM74113 COc1cc(C=NNC(=O)C(NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)ccc1OCC(N)=O |w:6.6|
BDBM74114 Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1
BDBM74115 OCc1ccc(CN2CCCC(C2)C(=O)Nc2ccc(cc2)-c2cscn2)o1
BDBM74116 Oc1ccc(C(=O)OCC(=O)c2ccc3OCOc3c2)c(O)c1
BDBM74117 CCOc1ccc(cc1)S(=O)(=O)NCCC(=O)NCC1(CCCCC1)N1CCCCC1
BDBM74118 CN(CCC1CCOCC1)C(=O)CC1N(Cc2c(F)cccc2Cl)CCNC1=O
BDBM74119 Clc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1
BDBM74120 CC1(C)CC(NC(=O)Cn2cncn2)c2cnn(c2C1)-c1ccc(F)cc1
BDBM74121 COc1cc(CN2CCC(CC2)n2nccc2NC(=O)c2ccc3OCOc3c2)ccc1O
BDBM74122 CC1CN(CC(C)O1)c1oc(nc1S(=O)(=O)c1ccc(C)cc1)-c1ccccc1F
BDBM73644 CC(C)C(N1CCC(CC1)C(N)=O)c1nnnn1Cc1ccc(F)cc1
BDBM73645 [O-][N+](=O)c1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1
BDBM73646 COC(=O)C(CCCN1C(=O)c2ccccc2C1=O)(NC(C)=O)c1nnn[nH]1
BDBM73647 COCCN(C(=O)\C=C\c1ccccc1)c1nnc(s1)-c1cccnc1
BDBM73648 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)C1CCN(CC1)S(C)(=O)=O
BDBM73649 CCOc1nc(NCC=C)nc(Nc2ccccc2F)n1
BDBM73684 Cn1[nH]c(c(CN=O)c1=O)-c1ccccc1
BDBM73685 Cc1cc(n(n1)-c1nc(c(CC(O)=O)s1)-c1ccccc1)C(F)(F)F
BDBM73834 CCOc1cc(ccc1OCc1ccccc1)C(=S)N1CCCC1
BDBM73835 Fc1ccc(COc2ccc(cc2)C(=S)N2CCCC2)cc1
BDBM73836 OC(COc1ccccc1CC=C)CN1C(=O)c2ccccc2C1=O
BDBM73875 Clc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(Cl)cc1Cl
BDBM73876 COc1ccc(OC)c(\C=C2/N=C(OC2=O)c2ccccc2)c1 |c:11|
BDBM73877 CCCCCCOc1ccc(\C=C\C(=O)N2CCOCC2)cc1OC
BDBM73916 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1nc2ccccc2s1
BDBM73917 OC(=O)C1(CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1
BDBM73918 COCCn1c(nc2n(CC(C)C)c(=O)[nH]c(=O)c12)-c1ccc(NC(C)=O)cc1
BDBM73919 [H]C12CC3([H])CC(Br)(C1)CC(CC(=O)NC1CCCC1)(C2)C3 |TLB:7:6:21:1.20.2,8:6:21:1.20.2,8:1:21:6.9.5,THB:2:1:9:3.21.5|
BDBM73686 CS\C(=N/C#N)N1CCN(CC1)c1ccccn1
BDBM73687 CC1(C)CNC(=O)c2sc(NC(=O)c3ccccc3)nc2C1
BDBM73688 CC(=O)c1cnc(s1)-c1ccccn1
BDBM73837 CCOC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C(C)(C)C
BDBM73838 CCOC(=O)C1C(C(C(=O)OCC)C(=O)C=C1C)c1cccc(c1)[N+]([O-])=O |c:15|
BDBM73839 Cc1ccc(C)c(NC(=O)CSc2cccc3cccnc23)c1
BDBM73840 Brc1ccccc1NC(=O)Cc1ccc2ccccc2c1
BDBM73920 COc1ccc(OCCN2CCN(CC2)C(=O)c2ccc(OC)cc2)cc1
BDBM73921 Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O
BDBM73922 CC(N=Nc1ccc(Cl)c(c1)C(O)=O)c1ccc(cc1)N1CCOCC1 |w:2.1|
BDBM73923 Clc1cccc(c1)N1CCN(CC(=O)NC2CCCc3ccccc23)CC1
BDBM73924 COc1ccc(cc1OC)C1(C)NC(=O)N(CC(=O)NCc2ccccc2)C1=O
BDBM73925 NC(=O)NC(CC(=O)NCCc1ccccn1)c1ccccc1Cl
BDBM73926 OC(=O)C(=C/c1cccc(OCc2ccccc2)c1)\c1ccc(F)cc1
BDBM74020 Cn1ncc(Cl)c1C(=O)NCC1CCCO1
BDBM74021 O=C(CCN1C(=S)S\C(=C/c2cccs2)C1=O)N1CCCCC1
BDBM74180 Cc1c(CCO)c(=O)[nH]n1S(=O)(=O)c1ccc(F)cc1
BDBM73650 O=C1NC(=S)NC(=O)C1C1CCCCC1
BDBM73689 CCn1c(NC(=O)C(C)C)c2ccccc2nc1=O
BDBM73690 CC(Oc1cccc(Cl)c1)c1ccnc2nc(N=CN(C)C)nn12
BDBM73691 COC(=O)c1cc2C(=O)N(Cc3cccc(OC)c3)CCn2n1
BDBM73727 CSCCC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
BDBM73728 O=C(CSC1=NCCS1)NC(NC(=O)CSC1=NCCS1)c1ccccc1 |t:4,17|
BDBM73729 COc1cc(\C=C\C(=O)OCC(=O)NC(=O)NC(C)C)cc(c1OC)S(=O)(=O)N1CCc2ccccc12
BDBM73730 CC(C)(CN1CCc2ccccc2C1)NS(=O)(=O)c1ccc(Cl)cc1
BDBM73841 CN1CCCN(CC1)C(=O)c1cccc(Br)c1
BDBM73842 COC(=O)CSc1nnc(CCc2ccccc2)n1C
BDBM73843 Fc1ccccc1N1CCN(CC(=O)NCc2ccccc2)CC1
BDBM73844 COc1ccc2oc(=O)c(cc2c1)C(=O)NCCc1ccc(OC)c(OC)c1
BDBM73845 Cc1cc(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)c1
BDBM73846 COc1cc(CN2CCC(Cc3ccccc3)CC2)cc(c1O)[N+]([O-])=O
BDBM73847 Cc1ccccc1CN1CCN(CC(=O)NCc2ccccc2)CC1
BDBM73848 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)NC(CC)c1ccc(C)cc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
BDBM73878 [O-][N+](=O)c1ccccc1NC(=O)C[n+]1ccccc1
BDBM73879 COC(=O)c1cc(NC(=O)c2cc3ccccc3o2)cc(c1)C(=O)OC
BDBM73880 CCOc1ccc(cc1)N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O
BDBM73928 CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCC1
BDBM73991 O=C(CCn1cccn1)Nc1ccc2OCOc2c1
BDBM74022 O=C(CN1CCCC1)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM74023 Cc1onc(c1C(=O)Nc1nnc(s1)C(C)(C)C)-c1ccccc1
BDBM74024 Cc1ccc(cc1)C(N(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1)C(=O)NC(C)(C)C
BDBM74025 CCn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2Br)c1=O
BDBM74026 COc1ccccc1N1CCN(CC1)C(=O)c1ccco1
BDBM74124 CCOc1ccc(cc1)-c1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(Br)c1
BDBM74125 CC(C)c1ccc(\C=C2\C(=O)N=C3SC(CC(=O)N4CCCCC4)=NN3C2=N)cc1 |c:24,t:11|
BDBM74126 Cc1ccc(\C=C2\C(=O)N=C3SC(CC(=O)N4CCOCC4)=NN3C2=N)o1 |c:22,t:9|
BDBM74127 [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1
BDBM74128 CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccncc1
BDBM74129 CCOc1ccc(OCCCC(=O)NCCc2ccc(OC)cc2)cc1
BDBM74130 COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)C(C)C)cc1OC
BDBM74131 COc1cc(NC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)cc(OC)c1OC
BDBM74132 COC(=O)c1c(NC(=O)C(=O)N2CCOCC2)sc2CCCc12
BDBM74133 Cc1ccc(cc1)-c1nnc(SCC(=O)NN=Cc2ccc(cc2)C(O)=O)n1C1CCCCC1
BDBM74134 CC1Cc2cc(ccc2O1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccc1F
BDBM74135 COc1ccc(cc1)-c1cc(=O)oc2cc(OCC(=O)NCCN3CCOCC3)ccc12
BDBM74136 [H][C@@]12CN(C[C@]([H])(C1)c1cccc(=O)n1C2)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCC)cc2)cc1 |TLB:9:8:7:3.2.4|
BDBM74137 Cc1csc2nc(SCC(=O)Nc3ccccc3F)[nH]c(=O)c12
BDBM74138 COc1ccccc1CC(=O)N(Cc1ccccc1)c1ccc(C)cc1
BDBM74139 CCOc1cc(ccc1OC(F)F)C(=O)\N=c1\sccn1C
BDBM74140 COCCN(CCOC)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
BDBM74141 CC(N(C)CCOc1ccccc1)C(=O)Nc1ccc(F)c(F)c1F
BDBM73651 [#6]-[#6]\[#7+](-[#6]-[#6])=[#6](/[#16]-c1ccccc1)\[#6](=[#6](/Cl)-[#6-](Cl)Cl)\[#7+](-[#8-])=O
BDBM73652 Cc1ccccc1OCC(=O)NN=Cc1ccccn1
BDBM73653 CC(C=CC=Cc1ccccc1)=NNC(=O)c1cncc(Br)c1 |w:12.13,5.5,2.1|
BDBM73692 CN(CCO)c1cnccn1
BDBM73693 COC(=O)c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12
BDBM73694 Fc1cccc(F)c1-n1c(CN2CCCC2)csc1=S |(3.12,-1.04,;4.46,-1.81,;4.46,-3.35,;5.79,-4.12,;7.12,-3.35,;7.12,-1.81,;8.46,-1.04,;5.79,-1.04,;5.79,.5,;7.04,1.41,;8.5,.93,;9.65,1.96,;11.15,1.64,;11.92,2.97,;10.89,4.12,;9.48,3.49,;6.56,2.87,;5.02,2.87,;4.54,1.41,;3.08,.93,)|
BDBM73695 Cc1n[nH]c(SCC(=O)NCCc2ccccc2)c1[N+]([O-])=O
BDBM73696 Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1c[nH]cn1
BDBM73697 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1c[nH]cn1
BDBM73698 Fc1ccccc1NC(=S)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 |w:11.11|
BDBM73731 CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1
BDBM73881 Cc1ccc(cc1)S(=O)(=O)Cc1ccc(cc1)[N+]([O-])=O
BDBM73882 CCCOc1ccc(cc1Cc1c(O)[nH]c(=S)[nH]c1=O)C(C)=O
BDBM73883 CN(C)CCCNC(=S)N(CCCN(C)C)Cc1cc2cc3OCOc3cc2[nH]c1=O
BDBM73884 CCN(CC)C(=O)c1ccc(cc1)S(=O)(=O)c1ccccc1
BDBM73930 CC(NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1cccnc1
BDBM73931 CC(=O)Nc1ccc(cc1)C(=O)OCCc1ccccc1
BDBM73932 OC(=O)c1nn(CCOc2ccc(Br)cc2)c(=O)c2ccccc12
BDBM73958 Brc1c[nH]n2c1nnc1ccc(=O)cc21
BDBM73959 O=C(CCn1c2ccccc2sc1=O)NC1CCCCC1
BDBM73960 COc1ccc(cc1)N(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1c(C)noc1C
BDBM74027 Clc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)N2CCCCC2)cc1Cl
BDBM74028 CC(CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)c(C)c1)n1cncn1
BDBM74029 COc1ccc(N(C(C(=O)NC2CCCCC2)c2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)c(OC)c1
BDBM74030 CSc1nsc(SCC(=O)Nc2ccc(cc2)C(N)=O)n1
BDBM74031 CC(=O)Nc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccccc1)C(=O)c1ccco1
BDBM74032 Brc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)o1
BDBM74033 COc1ccc(C(=O)CC=Nc2ccc(cc2)S(=O)(=O)Nc2cc(OC)nc(OC)n2)c(OC)c1 |w:10.10|
BDBM74034 Clc1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1CCCO1
BDBM74035 COc1cccc(c1)C(N(C1CC1)C(=O)c1csnn1)C(=O)NC1CCCCC1
BDBM74036 OCC1CCCN1C(=O)C(\NC(=O)c1ccccc1)=C\c1ccco1
BDBM74037 O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccco1
BDBM74038 Fc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2cccc3ccccc23)cc1
BDBM74039 COc1ccc(cc1OC)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CC1CCCO1
BDBM74040 CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1CC1CCCO1
BDBM74041 Cc1cc(NC(=O)C2CN(C(=O)C2)c2cccc(Cl)c2)no1
BDBM74042 Clc1ccc(cc1)N1CC(CC1=O)C(=O)N1CCOCC1
BDBM74043 Cc1ccc(cc1C)N(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1
BDBM74044 CC(C)c1ccc(cc1)N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1
BDBM74045 COc1ccc(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)c(OC)c1
BDBM74046 COc1ccc(cc1)C(N(CCC(C)C)C(=O)CCC(=O)Nc1cc(C)on1)C(=O)NC(C)(C)C
BDBM74164 [O-][N+](=O)c1ccc(OCC(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)c2ccco2)cc1
BDBM74165 CN(C)C1(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CCCCC1
BDBM74166 CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccncc1
BDBM74167 Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCc1ccccn1
BDBM74168 CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NC(=O)NC1CCCC1
BDBM74169 Cc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)c(C)o1
BDBM74170 O=S(=O)(N1CCCCC1)c1cccc(c1)-c1cn2ccccc2n1
BDBM74171 COc1ccc(cc1)C(=O)Nc1nnc(s1)S(=O)(=O)Cc1ccc(F)cc1
BDBM74172 CCOC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O |c:25|
BDBM73654 Cc1nonc1OCCNCCNc1ccccc1[N+]([O-])=O
BDBM73655 Cc1ccnc(NC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c1
BDBM73656 Cc1cc(cc2c1NC(=O)C2(O)N1CCOCC1)[N+]([O-])=O
BDBM73732 Oc1ccccc1N1CCN(CC1)C(=S)Nc1ccc(SC(F)F)cc1
BDBM73733 O=S(=O)(NC(=S)NC1CCCCC1)c1ccccc1
BDBM73734 NNC(=O)C1CC(O)CN1S(=O)(=O)c1ccc(Cl)cc1
BDBM73767 Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
BDBM73803 CCCc1c(cnn1-c1ccccc1)C(=O)NNc1ccccc1OC
BDBM73804 Cc1cc(C)cc(NC(=O)Nc2ccccc2N2CCCCC2)c1
BDBM73885 OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(Br)cc1
BDBM73887 CC(=O)C1C(N(C(=O)C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)[N+]([O-])=O
BDBM73888 Cc1cccc(Cc2cc(O)n(c2O)-c2ccc(C)cc2Br)c1 |(8.02,7.54,;7.12,6.29,;5.59,6.46,;4.68,5.21,;5.31,3.8,;6.84,3.64,;7.47,2.24,;6.56,.99,;5.02,.99,;4.54,-.48,;3.08,-.95,;5.79,-1.38,;7.04,-.48,;8.5,-.95,;5.79,-2.92,;7.12,-3.69,;7.12,-5.23,;5.79,-6,;5.79,-7.54,;4.46,-5.23,;4.46,-3.69,;3.12,-2.92,;7.74,4.89,)|
BDBM73961 COc1ccc(CNC(=O)CN(c2ccc(cc2)C(C)C)S(=O)(=O)c2c(C)noc2C)cc1
BDBM73962 COc1ccc(CCNC(=O)CS(=O)Cc2nc(oc2C)-c2ccccc2Cl)cc1OC
BDBM73963 CCN(CC)CCNC(=O)c1cn(CC)c2ccc(cc2c1=O)S(=O)(=O)N1CCOCC1
BDBM73964 COc1ccc(cc1)N1CCN(CC1)C(=O)CS(=O)Cc1nc(oc1C)-c1ccc(OC)c(OC)c1
BDBM73965 Cc1ccc(NC(=O)c2cccc(NC3=NC4CS(=O)(=O)CC4S3)c2)cc1C |t:14|
BDBM73966 CCOC(=O)C1CCN(CC1)C(=O)Cn1cnc2sc(C)c(c2c1=O)S(=O)(=O)N1CCCCC1
BDBM73967 COc1ccc(cc1)-c1cc(no1)C(=O)N1CCN(CC1)c1ccccc1OC
BDBM73968 CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)NCCc1ccc(C)cc1
BDBM73969 CCOc1ccc(cc1)-n1c(=O)n(CC(=O)NC2CCCCC2)c2ccsc2c1=O
BDBM74143 CC(C)(CNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)C(F)(F)F)N1CCOCC1
BDBM74144 O=C(CCc1c[nH]c2ccccc12)N1CCCCCCC1
BDBM74174 NC(=O)CN1C(=O)\C(=N/NC(=O)CNC(=O)\C=C\c2ccccc2)c2ccccc12
BDBM74175 CN(C1CCS(=O)(=O)C1)C(=O)CCN1C(=O)S\C(=C/c2ccccc2)C1=O
BDBM74176 COc1ccc(\C=C2/SC(=S)N(CC(=O)N(C)C3CCS(=O)(=O)C3)C2=O)cc1
BDBM74177 Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCN4CCOCC4)c(C)c3cc2c1C
BDBM74178 Cc1cc(OCC(=O)NC2CC2)c2c(C)cc(=O)oc2c1
BDBM74179 Cn1c(SCC(=O)Nc2ccc(cc2)C(N)=O)nnc1-c1cccs1
BDBM73657 Cc1[n-][o+]nc1OCCN1CCN(CC1)c1ccccc1[N+]([O-])=O
BDBM73658 [O-][N+](=O)c1ccc(NC(=O)CCOc2ccccc2)cc1
BDBM73735 OC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
BDBM73736 COc1ccccc1CNC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12
BDBM73737 COc1ccc(cc1)N1CCN(CCNC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)CC1
BDBM73769 CC(C)(C)c1ccc(SCCc2cccnc2)cc1
BDBM73771 CC1CCCC(O)(CNC(C)=O)C1
BDBM73886 COc1ccccc1NC(=O)c1c(cnn1C)[N+]([O-])=O
BDBM73927 Cc1ccc(cc1)-c1cc(N)nc(c1)-c1ccccc1
BDBM73929 CC(C)(NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1
BDBM73934 CCOc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
BDBM73935 COc1cc(CN(C)c2ncnc3sccc23)ccc1OC(F)F
BDBM72927 CCOc1cc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)ccc1OC
BDBM72512 CC(C)(C)c1ccc(Cn2c3ccccc3n(CC(O)c3ccco3)c2=N)cc1
BDBM72709 O=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM73523 CC(CC(=O)Nc1cccc(F)c1)=NNC(=O)C(=O)NC1CCCCC1 |w:13.14|
BDBM73542 CCCCc1c(O)c2ccccc2n(CCCC)c1=O
BDBM73543 Cn1c(N)c(C(c2ccccc2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
BDBM73579 Cc1cc(C)nc(n1)-n1ncc(C#N)c1N
BDBM73580 O=C(NN=Cc1ccco1)c1cc(=O)[nH]c2ccccc12
BDBM73250 S=c1[nH]cnc2n(CCC#N)cnc12
BDBM73251 COCCNc1ncnc2n(ncc12)-c1ccc(Cl)cc1
BDBM73252 O=c1[nH]c(Cc2ccccc2)nc2c3ccccc3oc12
BDBM73253 CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCN(Cc2ccccc2)CC1
BDBM73254 CCNC(=O)C1CC(=O)N(Cc2ccc3OCOc3c2)\C(S1)=N\c1ccc(OCC)cc1
BDBM73255 COc1ccc(cc1)C1C(C(=O)c2ccc(OCC=C)cc2)C(=O)C(=O)N1CCCN1CCOCC1
BDBM73256 CCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12
BDBM73257 CC(NC(=O)CSc1nnc(COc2ccccc2)o1)c1ccccc1
BDBM73258 Cn1c2nc(NCCCn3ccnc3)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O
BDBM73322 O=C(NCc1cccs1)c1cnc2ccccn2c1=O
BDBM73395 CCCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=N
BDBM73396 Cc1onc(c1C(=O)N1CCc2ccccc12)-c1c(F)cccc1Cl |(10.17,-3.3,;10.33,-1.77,;11.67,-1,;11.35,.51,;9.82,.67,;9.19,-.73,;7.68,-1.05,;6.65,.1,;7.2,-2.51,;8.1,-3.75,;7.2,-4.99,;5.75,-4.52,;4.41,-5.29,;3.08,-4.52,;3.08,-2.98,;4.41,-2.21,;5.75,-2.98,;9.82,2.21,;11.16,2.98,;12.49,2.21,;11.16,4.52,;9.83,5.29,;8.49,4.53,;8.49,2.99,;7.15,2.22,)|
BDBM73397 CCOC(=O)C1=C(CSc2nc(ccc2C#N)-c2ccccc2)OC(=N)C(C#N)C1c1ccccc1 |c:5|
BDBM73398 Cc1cc(C)n(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)c(=O)n1
BDBM73437 CC(C)C(=O)Nc1nnc(CCN2CCOCC2)s1
BDBM73544 CCOc1ccccc1OCCNC1CCCC1
BDBM73545 C[C+]([N-]Nc1nc(O)c(C)s1)c1ccc(cc1)[N+]([O-])=O
BDBM73546 COc1cc(CN=O)c(Br)cc1OCC(=O)Nc1ccccc1C
BDBM73581 NC(=O)C1CCN(CC1)C(=S)c1ccc(o1)-c1ccc(Br)cc1
BDBM73582 COCCNC(=O)C(=O)NNC(=O)COc1ccc(OC)cc1
BDBM73583 CN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
BDBM73323 COc1ccc(OC)c(NC(=O)Cn2cccc2)c1
BDBM73324 COCCN(CCOC)C(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N(C)c1ccc(F)cc1
BDBM73360 Cc1cc2cc(CNC(=O)c3cccs3)ccc2n1C
BDBM73361 CC1CC(C)CN(C1)c1nc2n(C)c(=O)n(C)c(=O)c2n1CCSc1ncccn1
BDBM73362 COCCn1c(SCC(=O)N2CCc3ccccc23)nc2CC(C)Sc2c1=O
BDBM73363 CCN1CCN(CC1)C(CNS(=O)(=O)c1ccc(OC)cc1)c1cccnc1
BDBM73438 CC(N1CCSCC1)C(=O)c1c[nH]c2ccccc12
BDBM73439 CC1(C)CC(=O)C(C(C#Cc2ccccc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1
BDBM73440 COC(=O)CC1=C(C(C(C#N)C(=N)O1)c1cc(OC)c(OC)cc1OC)C(=O)OC |t:5|
BDBM73441 Cc1ccc(s1)C(=O)NCC(=O)N1CCN(CC1)c1ncccn1
BDBM73472 CC(C)NC(=O)C(=O)NCCOC=C
BDBM73473 Cc1ccc(C(=O)COC(=O)CSc2cccc3cccnc23)c(C)c1
BDBM73474 COC(=O)Cc1cc(=O)oc2cc(OC)ccc12
BDBM73475 [H]C12CC3([H])CC(C1)(CC(C2)(C3)c1ccccc1)C(=O)Nc1ccc(OCC)cc1 |TLB:5:3:10:6.8.7,THB:5:6:10:3.11.2,2:3:8:1.10.7,18:6:10:3.11.2|
BDBM73547 [O-][N+](=O)c1ccc(F)c(NC(=O)C2CC2)c1
BDBM73548 COc1cc(\C=C\C(=O)N2CCCC2)cc(OC)c1OC
BDBM73549 [H][C@]12CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@]1([H])c1cc(C(=O)N3CCCC3)n(CCc3ccccn3)c1C2
BDBM73550 Cc1cc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)nn1C
BDBM73551 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
BDBM73552 CC1=CC2=NC(=O)CC(C)(N2C=C1)C(=O)N(CC(=O)NC1CCCC1)c1ccccc1C |c:12,t:1,3|
BDBM73584 CCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
BDBM73585 COc1ccc(c(Cl)c1Cl)S(=O)(=O)Nc1cccnc1
BDBM73586 [#6]-[#6]-c1nnc(-[#7]S(=O)(=O)c2ccc(-[#7]\[#6]=[#6]-3/[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-3=O)cc2)s1
BDBM73325 N#Cc1ccccc1NCc1ccccc1
BDBM73326 CN(C#N)c1nc(nc(n1)N1CCOCC1)N1CCOCC1
BDBM73327 O=C(CCCN1C(=O)c2cccnc2C1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
BDBM73399 CCCSc1nc(O)cc(=O)n1CC=C
BDBM73400 COc1ccc(cc1)C1=NC(=S)NC(C1)c1cc(OC)c(OC)c(OC)c1 |t:9|
BDBM73401 CC(C)COc1ccc(cc1)C(=O)NNC(=S)NCC=C
BDBM73402 CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
BDBM73442 O=C(Nc1ccc(cc1)-n1cnnn1)C1CCCCC1
BDBM73443 Cc1sc2nc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n(CC=C)c(=O)c2c1C
BDBM73444 Cc1cc(NC(=O)CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)no1
BDBM73445 CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1
BDBM73446 CC(OC(=O)Cn1c(nc2ccccc12)C(F)(F)F)C(=O)N1CCCc2ccccc12
BDBM73447 CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2OCCOc2c1
BDBM73448 Clc1cc(NC(=O)CSc2nnnn2-c2cccc3ccccc23)ccc1N1CCOCC1
BDBM73449 CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccccc1
BDBM73450 CC(=O)Nc1ccc(OCC(=O)c2cc(C)ccc2C)cc1
BDBM73476 Cc1cc(Nc2ccccc2)nc(N)n1
BDBM73477 [O-][N+](=O)c1cccc(CN=Nc2nccnc2Cl)c1 |w:10.10|
BDBM73587 O=C(CP(=O)(c1ccccc1)c1ccccc1)N1CCOCC1
BDBM73588 CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN(C)C)c1
BDBM73589 Clc1cccc(CNC(=O)c2ccc3N4CCS(=O)(=O)N=C4Sc3c2)c1 |c:20|
BDBM73590 COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(c1)[N+]([O-])=O
BDBM73591 COc1cc(\C=C2/SC(=O)N(CCNC(=O)c3sc4cc(F)ccc4c3Cl)C2=O)cc(OC)c1OC
BDBM73592 OC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2Cl)cc1 |(3.08,-8.43,;4.41,-7.66,;5.75,-8.43,;4.41,-6.12,;3.08,-5.35,;3.08,-3.81,;4.41,-3.04,;4.41,-1.5,;5.75,-.73,;7.08,-1.5,;5.75,.81,;7.08,1.58,;7.08,3.12,;5.84,4.02,;6.31,5.49,;7.85,5.49,;8.76,6.73,;8.13,8.14,;9.04,9.39,;10.57,9.23,;11.19,7.82,;10.29,6.57,;8.33,4.02,;9.79,3.55,;10.94,4.58,;12.4,4.1,;12.72,2.6,;11.58,1.57,;10.11,2.04,;8.97,1.01,;5.75,-3.81,;5.75,-5.35,)|
BDBM73593 [H]C12C=CC([H])(C3C1C(=O)N(C3=O)c1ccc(OC(C)=O)c(c1)[N+]([O-])=O)C21CC1 |c:2,TLB:8:7:26:3.2,THB:11:6:26:3.2|
BDBM73297 CCOc1cc2C(C(N(C)C(=O)c2cc1OCC)c1cc(Br)c(O)c(OC)c1)C(O)=O
BDBM73298 COc1ccccc1-c1cc(no1)C(=O)NCCN1CCOCC1
BDBM73299 CN1CCN(CCNC(=O)Nc2ccccc2C(F)(F)F)CC1
BDBM73300 Cc1ccc(cc1)-n1nnc2c1ncn(CC(=O)N1CCCC1)c2=O
BDBM73301 COc1cccc(CNC(=O)C2CCCN(C2)c2nc3ccccc3o2)c1
BDBM73302 CCCOC(=O)NC(CC)COC(=O)Nc1cc(C)ccc1C
BDBM73328 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N1CCN=C1SCc1cccnc1 |c:20|
BDBM73329 CC1(C)N(O)C2(CCCCCC2N=O)[N+]([O-])=C1c1cccs1 |c:16|
BDBM73330 COCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1
BDBM73331 CCN(CC)CCN1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccccn1
BDBM73332 CCOC(=O)NC1(N=C(NC1=O)c1ccccc1)C(F)(F)F |c:7|
BDBM73364 Cc1cc(C(=O)N2CCCC2C(O)=O)c(C)o1
BDBM73365 COC(=O)Cn1c(C)nc(=O)c(c1C)-c1ccccc1
BDBM73366 O=C1N(CCCSc2nc3ccccc3o2)C(=O)c2ccccc12
BDBM73367 CCOC(=O)C1C(C(C(=O)OCC)C(C)(O)CC1=O)c1ccc2OCOc2c1
BDBM73368 CC(Oc1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1
BDBM73403 OC(=O)CCc1ccc(-c2ccc(F)cc2)n1CC1CCCO1
BDBM73404 COCCNC(=S)NNC(=O)c1ccco1
BDBM73451 CSCCC(NS(=O)(=O)c1ccc2ccccc2c1)C(O)=O
BDBM73452 Cc1ccccc1Nc1nnc(SCc2cc(cc3COCOc23)[N+]([O-])=O)s1
BDBM73453 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)N1CCc2ccccc12
BDBM73454 Fc1ccccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O
BDBM73455 COC(=O)c1ccccc1Nc1cc(O)n(c1O)-c1c(C)cccc1C |(11.71,5.58,;10.18,5.75,;9.28,4.5,;9.9,3.09,;7.74,4.66,;7.12,6.07,;5.59,6.23,;4.68,4.98,;5.31,3.58,;6.84,3.41,;7.47,2.01,;6.56,.76,;5.02,.76,;4.54,-.7,;3.08,-1.18,;5.79,-1.61,;7.04,-.7,;8.5,-1.18,;5.79,-3.15,;4.46,-3.92,;3.12,-3.15,;4.46,-5.46,;5.79,-6.23,;7.12,-5.46,;7.12,-3.92,;8.46,-3.15,)|
BDBM73456 Cc1ccc(cc1)S(=O)(=O)C(=C\c1c[nH]c2ccccc12)\C#N
BDBM73457 COc1cccc(c1)C(=O)Nc1ccc(NC(C)=O)cc1
BDBM73458 COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C2CC2C)c1
BDBM73459 Cc1nc(Sc2ccccc2)c(cc1-c1ccccc1)C#N
BDBM73460 Clc1ccc(cc1)C(=C/c1ccc(o1)N1CCOCC1)\C#N
BDBM73461 CCOc1n(C)nc2cc(ccc12)C(=O)NCc1ccc2OCOc2c1
BDBM73462 Cc1ccccc1NC(=S)N1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM73463 Clc1ccc(cc1)N1CCN(CC1)C(=N)C(=CC(C#N)C#N)C#N |w:16.18|
BDBM73464 Cc1nc(nn1-c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(F)cc1
BDBM73478 COc1ccccc1NC(=S)N1CCN(CC1)C(=O)c1ccco1
BDBM73479 NC(=NOC(=O)C1CCCCC1)c1cccc(c1)[N+]([O-])=O |w:2.2|
BDBM73480 CCn1c2ccccc2c2cc(NC(=O)c3cccc(c3)[N+]([O-])=O)ccc12
BDBM73553 Cc1ccc(cc1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12
BDBM73229 Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccc4OCOc4c3)cc12
BDBM73230 COCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCc1ccccc1
BDBM73231 Cc1ccc2cc(C#N)c(NCCNC(=O)C3CCC3)nc2c1C
BDBM73232 Cc1nc2cc(N3CCOCC3)c(NC(=O)C3CC3)cc2c(=O)n1Cc1ccccc1
BDBM73233 Cc1cc(NC(=O)C2CCN(CC2)S(=O)(=O)Cc2ccccc2)ccc1-n1cnnn1
BDBM73234 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(NC(=O)C(C)C)nc1
BDBM73235 COCCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCC1
BDBM73236 O=C(NC1CCCCC1)NC1(CCCCC1)C(=O)N1CCN2CCCC2C1
BDBM73237 O=C1NC(SCc2ccccc2)=C(C#N)C2(CCCC2)C1C#N |t:12|
BDBM73259 Cn1nc(-c2ccccc2)c2nc3ccccc3nc12
BDBM73260 CC(C)OCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccncc1
BDBM73261 Cc1ccc(SCc2cc(=O)[nH]c(n2)N2CCOCC2)cc1
BDBM73296 CC1CCc2nc3sc(C(O)=O)c(C)c3c(=O)n2CC1
BDBM73333 CC(C)c1ccc(C)cc1OCC(=O)Nc1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
BDBM73334 CCOc1cc(ccc1F)S(=O)(=O)NC1CCCCCC1
BDBM73335 Cc1cc(C)nc(Nc2nnc([nH]2)-c2ccccc2Br)n1
BDBM73336 Cc1cc(C)c2nc(nc(NCCCN3CCCC3=O)c2c1)C(F)(F)F
BDBM73337 CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C11C(=O)N2c3c1cccc3C(C)CC2(C)C |c:5|
BDBM73338 O=C(Nc1ncc2C(=O)CC(Cc2n1)c1ccco1)c1ccccc1
BDBM73339 CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1ccc2OCOc2c1
BDBM73340 COc1ccc(CC(=O)Nc2ccc(OC)c(NC(=O)c3ccco3)c2)cc1
BDBM73405 CC1CCC2(CC1)NN(C(=S)N2)c1ccccc1 |(3.08,-.98,;4.62,-.98,;5.39,-2.31,;6.93,-2.31,;7.7,-.98,;6.93,.35,;5.39,.35,;8.61,.27,;10.07,-.21,;10.07,-1.75,;11.32,-2.65,;8.61,-2.22,;11.32,.7,;12.72,.07,;13.97,.97,;13.81,2.51,;12.4,3.13,;11.16,2.23,)|
BDBM73406 Cc1ccccc1Cn1ccc(NC(=O)c2cnn3C(CC(Nc23)c2ccccc2)C(F)(F)F)n1
BDBM73407 O=C(N1CCc2ccccc12)c1cnc2sccn2c1=O
BDBM73408 Cc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1C
BDBM73467 COc1ccc(cc1)C1=NN2C(C1)c1ccc(OC)c(OC)c1C2=O |t:9|
BDBM73468 O=C(Nc1nc(cs1)-c1ccccc1)C1c2ccccc2Oc2ccccc12
BDBM73469 COc1cc(cc(OC)c1OC)C(=O)NNC(=O)NC1CCCCC1
BDBM73470 COc1cc(C=NN2CCN(CC2)C2c3ccccc3-c3ccccc23)ccc1O |w:6.6|
BDBM73471 O=C(NCCCN1CCOCC1)C(Sc1ccccc1)c1ccccc1
BDBM73481 O=C(COc1ccccc1)NCC(=O)NN=Cc1cccs1
BDBM73482 CCCCc1ccc(NN=C(C(C)=O)C(=O)Nc2ccc(NC(C)=O)cc2OC)cc1 |w:9.8|
BDBM73483 CCOc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1cc(C)ccn1
BDBM73484 Clc1ccc2[nH]c3c(CCCC3=NNC(=O)c3ccncc3)c2c1 |w:12.13|
BDBM73485 COc1ccc(CNC2CCCc3ccccc23)cc1OC
BDBM73486 O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)N1CCN(CC1)c1ccccc1
BDBM73487 Cc1ccc(C)c(c1)C(=O)COC(=O)CCCC(=O)Nc1cc(ccc1Cl)C(F)(F)F
BDBM73488 COc1cc(CNCCc2ccccc2)ccc1OCC(N)=O
BDBM73489 Cc1cc(C)cc(NC(=S)N2CCN(CC2)c2ncccn2)c1
BDBM73490 CCN1CCN(CC1)c1nc(N)c(c(Nc2ccc(C)cc2)n1)[N+]([O-])=O
BDBM73554 COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)c(OC)c1
BDBM73555 CN(C)c1ccc([CH+][N-]NC(N)=S)cc1[N+]([O-])=O
BDBM73556 Cc1nc(cs1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cc(F)ccc1F
BDBM73557 CC(=O)Nc1ccc(NC(=O)CSc2nnc(o2)-c2ccco2)cc1
BDBM73558 O=C(NNC(=O)c1ccncc1)C1CCCN(C1)c1ncccn1
BDBM73559 Cc1cccc(NC(=O)CN2C(=O)N\C(=C/c3ccc(o3)-c3cccc(c3)C(O)=O)C2=O)c1
BDBM73262 CC1CCCN(Cc2nc3n(C)c(=O)n(C)c(=O)c3n2CC(N)=O)C1
BDBM73263 Cc1cc(C(=O)CSc2nnc(C)s2)c(C)n1-c1ccc2OCOc2c1
BDBM73369 CC1(CCS(=O)(=O)C1)NC(=O)N1CCCCC1
BDBM73370 COC(=O)C1C(C2CCC=CC2)C(C(=O)OC)=C(C)N=C1C |c:9,20,t:17|
BDBM73371 CC(Oc1ccc(Cl)cc1)C(=O)Nc1nccs1
BDBM73372 CCOC(=O)C1CCCN(C1)C(=O)C1c2ccccc2Oc2ccccc12
BDBM73373 CN(C(C)=O)c1nc(C)nc(n1)-c1ccccc1OC(C)=O
BDBM73374 OC(COCc1ccc(Cl)cc1)CS(=O)Cc1ccc(Cl)cc1
BDBM73375 COc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1
BDBM73409 Clc1ccc(OCCN2CCOCC2)cc1Cl
BDBM73240 CCCCOC(=O)CSc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(/C)Cl
BDBM73264 CC1(C)C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:9|
BDBM73265 C1Oc2ccccc2OC1c1nnc2CSc3ccccc3-n12
BDBM73410 FC(F)(F)c1cccc(c1)N1C(=O)Cn2c1nc1ccccc21
BDBM73411 Cc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1
BDBM73412 COCCCNC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1
BDBM73522 COc1ccc(cc1)N=CCC(=O)c1ccc(Cl)cc1 |w:8.8|
BDBM73524 CCN(C(=O)Nc1ccccc1)c1ccccc1
BDBM73594 CC1Cc2ccccc2N1C(=O)Nc1ccccc1C
BDBM73595 CC1(C)CC(=O)c2cnc(NC3CC3)nc2C1
BDBM73596 Cc1ccc(NC(=S)N2CCCC(CO)C2)c(C)c1
BDBM73597 Cc1ccc(s1)C(=O)CC1(O)C(=O)Nc2ccc(C)cc12
BDBM73266 Cc1noc(C)c1CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12
BDBM73267 Cc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1
BDBM73268 COc1ccc(C)cc1NC(=O)C1CN(Cc2ccco2)C(=O)C1
BDBM73269 CN(Cc1nc(N)nc(Nc2ccccc2C)n1)c1ccccc1
BDBM73270 CCc1ccc(NC(=O)C(C)Nc2ccc(cc2)S(=O)(=O)NC(C)=O)cc1
BDBM73303 Cc1nc([nH]c1C(O)=O)-c1ccco1
BDBM73342 COc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCN1CCOCC1
BDBM73343 COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(CC(=O)N2CCOCC2)s1
BDBM73344 [H]C12CCC([H])(C1)C(C2)NS(=O)(=O)c1ccc2OCCOc2c1 |TLB:9:7:6:3.2|
BDBM73376 [H]C12CC([H])(C(CN(C)C)C1N=O)C(C)(C)C2C |TLB:11:10:13.16:2,17:16:2:5.10,THB:6:5:13.16:2|
BDBM73413 Cc1ccc(CCN2CC(CC2=O)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
BDBM73414 CN(C)CCNC(=O)C1CN(C(=O)C1)c1ccc(F)c(Cl)c1
BDBM73415 CCOC(=O)c1cc(OC(=O)c2ccccc2Br)n(n1)-c1ccccc1
BDBM73416 CC(C)Oc1ccc(cc1)C(=O)C(=C/c1sccc1C)\c1nc2ccccc2o1
BDBM73417 Fc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccccc1Cl
BDBM73525 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]=[#6]-[#6]=[#6]\[#6]-1=[#6]\[#6]=[#6](\C#N)C#N |c:7,9|
BDBM73526 Cc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c(cc1C)[N+]([O-])=O
BDBM73527 Fc1cc(F)c(F)c(NNC(=O)Cc2ccc(Cl)cc2)c1F
BDBM73560 Clc1ccc(Br)cc1C(=O)N1CCCC1
BDBM73561 O=C(CCc1nnc(CCC2CCCCC2)o1)NCCn1cccn1
BDBM73562 CC(N1C(=O)COc2ccc(C)cc12)C(=O)NCc1cccs1
BDBM73598 Cc1cc(nc2c(Br)c(=O)[nH]n12)-c1ccccc1
BDBM73599 CCCN(CCC)C(=O)C1CC(=O)OC11CCCCC1
BDBM73600 COc1ccccc1C(=O)Nc1ccc2n3CCN(Cc4ccccc4)Cc3nc2c1
BDBM73106 CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)n2)c1C
BDBM73242 Clc1ccc(NC(=O)NC2CCCC2Cc2ccco2)cc1
BDBM73243 CCOC(=O)CSc1nc(N2CCOCC2)c2CN(C)C(C)(C)Cc2c1C#N
BDBM73244 CCCC1C(c2ccccc2)C(C#N)(C#N)C2(CC1(N)NC2=O)C#N |TLB:22:21:17:3.4.11,2:3:17:20.21|
BDBM73245 CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC
BDBM73246 Brc1ccc2N(CC=C)C(=O)\C(=C3/SC(=NC3=O)N3CCOCC3)c2c1 |c:14|
BDBM73247 COC(=O)C1CCN(CC1)C(=O)c1ccc(SC)cc1OC
BDBM73248 CCOC(=O)C1CCCN(C1)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC
BDBM73249 O=C(CN1CCc2[nH]c3ccccc3c2C1)N1CCCCC1
BDBM73304 CCN(CC)CCCNC(=O)c1cc(on1)-c1ccc(Cl)c(Cl)c1
BDBM73305 Cc1c(NC(=O)c2cc(on2)-c2cccs2)c(=O)n(-c2ccccc2)n1C
BDBM73306 CCOC(=O)C1CCN(CC1)C(=O)c1sc2nc(cn2c1C)-c1ccc(F)cc1
BDBM73307 O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NCCc1ccccc1
BDBM73308 O=C(NCCc1ccccc1)C1CCN(CC1)c1nc2ccccc2o1
BDBM73309 Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)C(=O)NCc1ccoc1
BDBM73310 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)NCc2ccc3OCOc3c2)C1=O |c:5,TLB:26:7:2:5.6,THB:9:8:2:5.6|
BDBM73311 COCC(C)NC(=O)c1cc(on1)-c1ccccc1OC
BDBM73347 COc1cccc(OCCOc2c(OC)cccc2OC)c1
BDBM73377 O=C(NCc1ccco1)C1CCC(CC1)N1C(=O)c2ccccc2C1=O |(15.03,2.53,;14.26,1.2,;15.03,-.13,;16.57,-.13,;17.34,-1.47,;18.88,-1.63,;19.2,-3.13,;17.86,-3.9,;16.72,-2.87,;12.72,1.2,;11.95,-.13,;10.41,-.13,;9.64,1.2,;10.41,2.53,;11.95,2.53,;8.1,1.2,;7.2,2.44,;7.68,3.9,;5.75,1.97,;4.41,2.74,;3.08,1.97,;3.08,.43,;4.41,-.34,;5.75,.43,;7.2,-.04,;7.68,-1.5,)|
BDBM73378 N#Cc1cc(Oc2ccccc2)c(cc1C#N)-n1nnc2ccccc12
BDBM73379 COCCCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O
BDBM73380 Fc1ccc(cc1)C1CC(=O)C(=CNCCN2CCNCC2)C(=O)C1 |(10.16,9.3,;9.39,7.97,;10.16,6.64,;9.39,5.3,;7.85,5.3,;7.08,6.64,;7.85,7.97,;7.08,3.97,;5.75,3.2,;5.75,1.66,;4.41,.89,;7.08,.89,;7.08,-.65,;5.75,-1.42,;5.75,-2.96,;4.41,-3.73,;4.41,-5.27,;3.08,-6.04,;3.08,-7.58,;4.41,-8.35,;5.75,-7.58,;5.75,-6.04,;8.41,1.66,;9.75,.89,;8.41,3.2,)|
BDBM73528 CCOc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)OCC(=O)Nc1cccc(C)c1
BDBM73529 Cc1cccc(NC(=O)COC(=O)Cc2cccc(c2)C(F)(F)F)c1C
BDBM73530 COc1cc2c(cc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)oc1ccccc21
BDBM73531 O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1cccc2ccccc12
BDBM73532 COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)C2CC2C)cc1
BDBM73533 Cc1c(oc2c(cccc2c1=O)C(=O)OCC(=O)Nc1ccc(cc1)C(N)=O)-c1ccccc1
BDBM73534 Fc1cccc(c1)C(=O)Oc1ccccc1\C=C/C(=O)c1cc2ccccc2o1
BDBM73535 Cc1ccc(SCc2nc(N)nc(Nc3ccccc3C)n2)c(C)c1
BDBM73536 CCCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
BDBM73563 CC(C)c1onc(C(=O)N2CCCCCC2)c1[N+]([O-])=O
BDBM73564 COc1cc2NC(=O)CC(c3cccc(C)c3)c2cc1OC
BDBM73565 CCn1ccnc1CN(C)Cc1cn(nc1-c1ccccc1)-c1cc(C)ccc1C
BDBM73601 O=c1cc(CN2CCCCCC2)nc2sccn12
BDBM73602 COC(=O)c1ccccc1NC(=O)NCc1ccncc1
BDBM73271 Cc1sc2ncnc(-n3cnc4ccccc34)c2c1C
BDBM73272 Cc1nc(C)c(c2-c3ccccc3C(F)(F)c12)C(F)(F)F
BDBM73312 CC1CCCCC1NC(=O)C1CCN(CC1)S(=O)(=O)N1CCOCC1
BDBM73313 CCOC(=O)C1CCCN(C1)c1c(NCCCN(CC)c2ccccc2)c(=O)c1=O
BDBM73314 COc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc12
BDBM73315 O=C(C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12)N1CCC2(CC1)OCCO2
BDBM73316 CCOC(=O)c1ccc(cc1)-n1c(N)c(sc1=S)C(=O)NCC=C
BDBM73317 CCn1ncc(C2=NOC(C2)C(=O)NCc2ccc(Cl)cc2)c1C |t:6|
BDBM73318 [H]C12CC(C)(CN1C(=O)c1cc(on1)-c1ccc(OC)c(OC)c1)CC(C)(C)C2 |TLB:7:6:2:25.24.28|
BDBM73319 Cn1c2ccc(cc2n(C)c(=O)c1=O)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
BDBM73341 Brc1cccc(c1)-c1nnc([nH]1)-c1ccccc1
BDBM73418 Cc1ccc(NC2=CS(=O)(=O)CC2[N+]([O-])=O)cc1 |t:6|
BDBM73419 Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1CC=C
BDBM73491 Cc1ccc(SCCCCN2CCNCC2)cc1
BDBM73492 Oc1c(cnc2ccccc12)[N+]([O-])=O
BDBM73493 CN(CCOC(=O)c1cccc(F)c1)Cc1ccccc1
BDBM73494 [O-][N+](=O)c1ccccc1\C=C\C=C1/N=C(OC1=O)c1ccccc1 |c:14|
BDBM73495 Cc1cc(Oc2ccc(C)c(Cl)c2)nc(SCC(=O)c2ccccc2)n1
BDBM73496 CCc1ccc(nc1)C(=O)NN=Cc1ccc(Cl)cc1Cl
BDBM73497 O=S(=O)(NC1CCCCC1Sc1ncccn1)c1ccccc1
BDBM73498 O=C(CSc1nc(CCC2CCCC2)nc2ccccc12)NCc1ccc2OCOc2c1
BDBM73566 [O-][N+](=O)c1ccc(\C=N\NC(=O)CNC(=O)c2cccc(F)c2)s1
BDBM73567 Cc1nc([nH]c(=O)c1Cc1ccccc1)N1CCc2ccccc2C1
BDBM73568 COc1ccc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2c1
BDBM73569 Brc1ccc2[nH]c(=S)n(Cc3ccc(cc3)C(=O)N3CCN(CC3)C3CCCCC3)c(=O)c2c1
BDBM73570 COc1ccc(N=C2C(Cl)C(=O)N(C2=O)c2ccccc2)c(OC)c1 |w:6.5|
BDBM73571 CCN(Cc1nc(no1)-c1ccc(cc1)C(=O)OC)Cc1ccncc1
BDBM73572 CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(CCCn2cccn2)CC1
BDBM73603 Cc1ccc(NC(=O)Nc2ccc(F)cc2F)c(OC(F)F)c1
BDBM73604 Cc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccco1
BDBM73605 OC(=O)c1ccc(NC(=O)c2cccc(NC(=O)Cc3cccs3)c2)cc1
BDBM73273 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)Cn2nnc3ccccc3c2=O)c1
BDBM73274 C(N1CCCc2ccccc12)c1nnc2CCCCCn12
BDBM73275 OC(=O)c1cccc(NC(=O)Cc2sc(nc2O)N2CCCCC2)c1
BDBM73381 CC(=O)Oc1ccc(cc1)C(=O)Nn1cnnc1
BDBM73382 CCOc1ccc(cc1)N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1
BDBM73383 Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1Cl
BDBM73384 CCOC(=O)c1c(oc2cc(CN(C)C)c(O)c(CN(C)C)c12)-c1ccccc1
BDBM73420 Clc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCN(CC1)C(=O)c1ccco1
BDBM73421 COc1ccc(F)cc1S(=O)(=O)NC1CCCC1
BDBM73422 O=C(N1CCN(CC1)c1ccccc1)c1cccn2c1nc1cc3ccccc3cc1c2=O
BDBM73423 COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC
BDBM73424 Cc1ccc(CN2C(CCC2=O)C(=O)NCc2cccnc2)cc1
BDBM73574 OC(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(c1)C(F)(F)F
BDBM73575 COc1ccc(cc1)N(CC(=O)Nc1cccc(c1)N(C)S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1
BDBM73576 CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2Cl)c1
BDBM73577 Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)NC1CCCCC1
BDBM73578 Cc1ccc(cc1)S(=O)(=O)NNC(=O)CCCCC(=O)NNS(=O)(=O)c1ccc(C)cc1
BDBM73606 Cc1[nH]c(=S)[nH]c(=O)c1CCCO
BDBM73607 CCOCC(=O)Nc1cc(ccc1OC)[N+]([O-])=O
BDBM73608 CC(N(c1ccccc1)S(C)(=O)=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
BDBM73609 CCC(C(O)=O)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
BDBM73610 COc1ccc(cc1)N(CC(=O)NN=Cc1cc(Br)c(C)o1)S(=O)(=O)c1ccc(NC(C)=O)cc1
BDBM73216 O=C(CNC(=O)c1ccco1)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1cccnc1
BDBM73217 C(Nc1c2CCCCc2nc2nnnn12)c1cccnc1
BDBM73218 CCCC(=O)Nc1ccc(NC(=O)c2ccccn2)cn1
BDBM73219 Cc1ccccc1OCC1CN(CN2CCOCC2)C(=O)O1
BDBM73220 CCC(C)(C)NC(=O)c1ccc2OC(C)(C)C(=O)N(CC(=O)OC)c2c1
BDBM73221 Cc1ccc(OCc2nnc(SCC(=O)CC(=O)Nc3ccccc3)o2)cc1
BDBM73222 Cn1nc(CC(=O)Nc2cccnc2N2CCOCC2)c2ccccc2c1=O
BDBM73223 CC(C)C(N1CCOCC1)c1nnnn1C1CCCCC1
BDBM73224 COc1ccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
BDBM73225 Fc1ccccc1N1CCN(CC1)C(c1nnnn1C1CCCCC1)c1ccccn1
BDBM73226 CC(=O)Nc1cccc(NC(=O)c2c(C)onc2-c2ccccc2)c1
BDBM73227 Cn1c2nc(N3CCNCC3)n(Cc3cccc4ccccc34)c2c(=O)[nH]c1=O
BDBM73228 O=C(CN1c2ccccc2C(=O)N2CCCC2C1=O)Nc1ccccc1-n1cccc1
BDBM73238 Cn1c(SCC(=O)c2ccccc2)nc2cccnc12
BDBM73239 CCCn1nnnc1SCC(=O)NCc1cccs1
BDBM73276 CNC(=O)COC(=O)c1cc(F)c(F)cc1Cl
BDBM73277 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(-c2ccccc2)n1CC)C(C)=O
BDBM73345 CC(=O)Nc1ccc(cc1)-c1cn2ccsc2n1
BDBM73346 O=C1CC(C(=O)N1)c1c[nH]c2ccccc12
BDBM73386 COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1 |t:25|
BDBM73387 O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccc1
BDBM73425 Clc1ccc(CCNC(=O)C2CCC(=O)N2Cc2ccccc2Cl)cc1
BDBM73426 CCOc1cc(ccc1OC)C1C2C(=O)CCCC2=Nc2nc(nn12)C(=O)OC |c:20|
BDBM73241 COc1ccc(cc1)C(=O)CCN1CCCCCC1
BDBM73278 CCCc1ccc(cc1)C(=O)CCC(O)=O
BDBM73279 O=C(CCOc1ccccc1)NCC(N1CCCCC1)c1ccco1
BDBM73348 Cn1c(NCc2cccs2)nc2ccccc12
BDBM73349 COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1Cl
BDBM73350 COc1ccc(NC(=O)CCc2ccccc2)cc1NC(=O)c1ccco1
BDBM73385 Oc1ccccc1CNc1cnc2ccccc2c1
BDBM73499 ClCc1nnc(o1)-c1ccccc1
BDBM73500 CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1cccs1 |w:2.2|
BDBM73537 Fc1cc(Br)ccc1NC(=S)NCC=C
BDBM73538 FC(F)(F)c1cccc(CC(=O)OCC(=O)Nc2ccc3OCCOc3c2)c1
BDBM73539 Cn1cccc1CC(=O)NNC(=O)Nc1ccc(Cl)cc1
BDBM73540 FC(F)(F)c1ccc(=O)n(CC(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)c1
BDBM73541 CCCC(=NNC(=O)c1cccc(Cl)c1)c1ccccc1 |w:4.4|
BDBM73573 Cc1ncc(n1S(=O)(=O)c1ccc(C)c(C)c1)[N+]([O-])=O
BDBM73611 O=C(NC(=S)NCc1ccccc1)C1CC1
BDBM73612 CSc1ncccc1C(=O)N1CCCC(CCC(=O)NCc2ccc(F)c(F)c2)C1
BDBM73613 COc1cccc(CCNC(=O)CC2N(CC(C)(C)C)CCNC2=O)c1
BDBM73280 CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
BDBM73281 Cc1cc(NC(=O)CN2CCCC2c2nc3ccccc3s2)no1
BDBM73282 Cc1noc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCCc1ccc(Cl)cc1
BDBM73283 Cc1nn(c(OC(=O)c2ccco2)c1S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
BDBM73351 Cc1c(NC(=O)CN2C(=O)c3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C
BDBM73352 CCCc1c([nH]c2CCCC(=O)c12)C(=O)OCC
BDBM73353 CN(CCO)c1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1cccc(C)c1
BDBM73388 O=C(COc1ccccc1)Nc1nccs1
BDBM73389 COc1ccc(cc1)-c1cc(nc(SCCC(=O)NCc2ccccc2)n1)C(F)(F)F
BDBM73390 CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1nnc[nH]1
BDBM73427 COc1ccc(Cl)cc1NC(=O)NC1CCCCC1
BDBM73428 Fc1ccc(cc1)C(=O)Cc1nc2ccccc2n(-c2ccccc2)c1=O
BDBM73429 COCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1
BDBM73501 [#6]-c1ccc(cc1)-[#6](=O)-[#7]\[#6](=[#6](\Cl)Cl)S(=O)(=O)c1ccccc1
BDBM73502 Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NN=Cc1ccco1
BDBM73503 Clc1ccc(NC(=O)Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1Cl
BDBM73504 OCCn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O
BDBM73505 Brc1ccccc1C(=O)N\C(=C/c1ccco1)C(=O)NCCc1nc2ccccc2[nH]1
BDBM73506 COC(CNC(=O)C(=O)NCC1OCCN1C(=O)c1ccc(Cl)cc1)OC
BDBM73507 CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(CC)SC(CC)C2=O)cc1
BDBM73508 CN(Cc1ccccc1)C(=O)COc1ccc(C)nc1[N+]([O-])=O
BDBM73614 Cc1oc(nc1CN1CCC(CO)(CCOc2ccccc2)CC1)-c1cccs1
BDBM73615 CC(C)CN1CCN(Cc2ccc(CN3CCCCC3)s2)CC1CCO
BDBM73616 CCc1noc(C)c1C(=O)N1CCCC(C1)C(=O)c1ccc(OC)c(F)c1
BDBM73617 CC(NC(=O)c1cc(COc2c(F)cccc2F)on1)c1cnn(c1)-c1ccccc1
BDBM73618 Cc1cc(nc(C)n1)C(=O)N1CCCC(C1)C(=O)c1cccc(c1)C(F)(F)F
BDBM73619 C(C1CCCN(Cc2cn(nc2-c2ccc3OCOc3c2)-c2ccccc2)C1)N1CCCC1
BDBM73620 CC(C)c1nc(cs1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
BDBM73621 COc1cccc(c1)-c1nn(cc1CN(C)Cc1c(C)nc2ccccn12)-c1ccccc1
BDBM73622 O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OCCO2
BDBM73623 CC(C)C(=O)NC(c1ccc(cc1)N(C)C)c1c(O)ccc2ccccc12
BDBM73285 Fc1ccc(cc1)-c1cc(no1)C(=O)NCCN1CCOCC1
BDBM73354 Cc1ccc(cc1)N(CC(N)=O)C1SC(=O)NC1=O
BDBM73355 Cc1ccccc1C1CC(Nc2nc(N)nn12)c1ccc(Br)cc1
BDBM73391 Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccccc2)no1
BDBM73430 CC(C)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc12
BDBM73431 COc1ccc(NC(=S)NNC(=O)OC(C)(C)C)cc1OC
BDBM73432 CCC(C)NC(=O)c1ccccc1NC(=O)Nc1ccccc1
BDBM73465 Clc1cccc(c1)C1CC(=O)CC(=O)C1n1cncn1
BDBM73466 Cc1cc(NC(=S)Nc2ccccc2)ccc1Br
BDBM73284 CC(C)c1cc(no1)C(=O)Nc1cc(Cl)ccc1O
BDBM73286 OC(=O)CSCCC(=O)Nc1ccc(F)cc1
BDBM73287 O=C(NCCCN1CCCC1)Nc1cccc2ccccc12
BDBM73288 CCOCCCNC(=O)C(NC(=O)c1ccccn1)c1ccc(C)cc1
BDBM73289 Cn1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
BDBM73290 COc1ccccc1CNC(=O)CSc1nc2nc(C)cc(C)n2n1
BDBM73291 CCc1ccc(CNC(=O)CN2C(=O)COc3ccccc23)cc1
BDBM73292 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)C1CC1
BDBM73293 Cc1c(\N=C\c2ccc(Cl)o2)c(=O)n(-c2ccccc2)n1C
BDBM73294 CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NC2CCCC2)c1=O
BDBM73295 O=C(C1CCN(CC1)S(=O)(=O)c1c[nH]cn1)N1CCN(CC1)c1ncccn1
BDBM73320 O=C(Nc1cccnc1)c1cc(on1)-c1cccs1
BDBM73321 Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(on1)-c1ccco1
BDBM73356 CCOc1ccc(cc1)C1CC(c2ccccc2C)n2nc(N)nc2N1
BDBM73357 Fc1ccc(cc1)N1CCN(CC1)C(=O)C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12
BDBM73358 Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NC1CCCC1
BDBM73359 CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)cc1
BDBM73392 COCCSc1nnc(NC(=O)C(C)(C)C)s1
BDBM73393 CCCC(C)c1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1
BDBM73394 C[C@@H]1NC(=O)c2cc(cc(I)c2NCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)[N+]([O-])=O
BDBM73433 COc1ccc(CN2CNc3nc4ccccc4n3C2)cc1
BDBM73434 CC(C)c1nnc(NC(=O)CCC(=O)NCc2cccs2)s1
BDBM73435 COc1ccc(Cc2c(O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2=O)c(OC)c1
BDBM73436 COc1ccccc1CNC(=O)CCC(=O)Nc1nnc(s1)C(C)C
BDBM73509 COc1cc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c(C)cc1[N+]([O-])=O
BDBM73510 Cc1ccc(cc1F)C(NC(=O)NCc1ccccc1)C(Cl)Cl
BDBM73511 CC1CCCC(C)N1C(=O)c1cc2ncc(CCCl)cn2n1
BDBM73512 [O-][N+](=O)c1cccc(\C=C/C=N/NC(=O)c2ccccn2)c1
BDBM73513 CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)O1 |(15.29,8.65,;14.52,7.32,;15.85,6.55,;13.53,8.49,;13.75,5.98,;12.57,6.97,;15.08,5.21,;15.08,3.67,;16.42,2.9,;13.75,2.9,;13.75,1.36,;12.42,.59,;11.08,1.36,;9.75,.59,;9.75,-.95,;8.41,-1.72,;8.41,-3.26,;7.08,-4.03,;5.75,-3.26,;7.08,-5.57,;5.75,-6.34,;4.41,-5.57,;3.08,-6.34,;3.08,-7.88,;4.41,-8.65,;5.75,-7.88,;11.08,-1.72,;12.42,-.95,;12.42,3.67,;11.08,2.9,;12.42,5.21,)|
BDBM73514 CCOc1ccc(cc1)N(CC(=O)Nc1cccc(c1)N(C)S(C)(=O)=O)S(=O)(=O)c1ccccc1
BDBM73515 C\C(NNC(=O)c1ccncc1)=c1\cc2C=CC(=O)C=c2oc1=O |c:16,20|
BDBM73516 COc1ccc2c(COC(=O)CC3Sc4ccccc4NC3=O)cc(=O)oc2c1
BDBM73517 Cc1cc(OCCCC(=O)NCc2cccs2)ccc1Cl
BDBM73518 COc1ccc(C)cc1Nc1nc(cs1)-c1c(C)[nH]c2ccccc12
BDBM73519 CCOc1ccc(C=NOCC(=O)Nc2cc(C)on2)cc1
BDBM73520 CCOc1ccccc1Nc1nnc(SCC(=O)NC(=O)c2cccn2C)s1
BDBM73521 Fc1ccc(CN2C3=NCCCN3c3ccccc23)cc1 |t:7|
BDBM71975 CCCCc1nnc(NC(=O)C(C)Sc2nc(C)cc(=O)[nH]2)s1
BDBM72148 [O-][N+](=O)c1ccc(NC(=O)C2C(=C2c2ccccc2)c2ccccc2)cc1 |c:11|
BDBM74268 Fc1ccc(C=CC(=O)OCC(=O)c2ccc[nH]2)cc1 |w:5.4|
BDBM74269 CN(C)C(CNC(=O)c1ccc(cc1)N(C)S(=O)(=O)c1ccc(C)cc1)c1ccco1
BDBM74270 O=S(=O)(N1CCCCCC1)c1ccc(=S)[nH]c1
BDBM74272 O=C(CCc1nc(no1)-c1ccccc1)NCc1ccccc1CN1CCOCC1
BDBM74273 O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCNC1=O
BDBM74335 CC(Sc1ncccn1)C(=O)NC1(CCCCC1)C#N
BDBM74274 CC(N1CCN(CC1)C(=O)c1ccco1)C(=O)Nc1ccccc1
BDBM74275 CCC1CCCCN1C(=O)COc1ccc2c3CCCc3c(=O)oc2c1
BDBM74276 O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCc1ccccc1
BDBM74277 Cn1nc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)c2ccccc2c1=O
BDBM74278 Clc1cc(C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2n1
BDBM74279 CCN1C(=O)N(CC(=O)Nc2cc(C)ccc2C)C(=O)C1=O
BDBM74280 CC(Sc1ccc(cn1)S(=O)(=O)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl
BDBM74281 Clc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)N1CCCCC1
BDBM74282 CN(C)C(CNC(=O)c1cc(ccc1C)S(=O)(=O)Nc1cccc(C)c1)c1ccccc1
BDBM74283 CCOc1ccc(OCCCC(=O)N(CC)CC(=O)Nc2c(F)cccc2F)cc1
BDBM74338 Clc1cccc(\C=C\C(=O)OCC(=O)NC2CC2)c1
BDBM74194 [O-][n+]1c2ccccc2cc2ccccc12
BDBM74195 CC1C(=O)N2CCCc3cc(NC(=O)C(=O)NCCc4ccccc4)cc1c23
BDBM74196 CNC(=O)c1c(NC(=O)c2ccco2)sc2CCCc12
BDBM74197 Cc1cccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)c1
BDBM74198 COc1cc(OC)cc(c1)C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
BDBM74199 Fc1ccc(cc1)C(=O)NCc1nnc(SCC(=O)NCC2CCCO2)o1
BDBM74200 Brc1cccc(c1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
BDBM74285 COc1cccc(NC(=O)CN(C)C(=O)c2cc(nc3ccccc23)-c2ccc(C)o2)c1
BDBM74286 CCCCN(C(=O)CC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
BDBM74287 CC12CCC(=O)N1C(CS2)C(=O)NNC(=O)c1ccc(Cl)cc1
BDBM74288 O=C(Nc1ccccn1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
BDBM74289 COc1ccc(CCN2CC(CC2=O)C(=O)Nc2nnc(Cc3ccccc3)s2)cc1OC
BDBM74290 CN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc2c(c1)nc1CCCn1c2=O
BDBM74291 FC(F)(F)c1cccc(CNC(=O)CCC(=O)N2CCOCC2)c1
BDBM74292 Cc1cccc(Oc2ccccc2NC(=O)C2=COCCO2)c1 |t:17|
BDBM74293 COc1ccccc1C(=O)NCCC(=O)NCC1COc2ccccc2O1
BDBM74294 COc1ccc2oc(C(=O)Nc3nc(C)cs3)c(C)c2c1
BDBM74295 CCCCN(C(=O)CCCc1nc2ccccc2s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
BDBM74296 CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O)cc1OCC |c:21|
BDBM74297 Cc1ccc(C)c(OCCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1
BDBM74298 CCOc1ccc(NC(=O)CN(C)C(=O)c2nc3nc(C)cc(C)n3n2)cc1OCC
BDBM74299 Cc1ccc(NC(=O)CC2OC(=O)c3ccccc23)cc1S(=O)(=O)N1CCCCCC1
BDBM74300 COc1ccc(NC(=O)CN(C)C(=O)C(Sc2ccccc2)c2ccccc2)cc1
BDBM74301 Fc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC2CCCO2)cc1
BDBM74302 Fc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC2(CCCCC2)N2CCCCC2)cc1
BDBM74303 CC(=O)N1CCN(CC1)C(=O)c1c(C)onc1-c1ccccc1
BDBM74304 Brc1ccc(cc1)C(=O)NCCC(=O)NCCCN1CCOCC1
BDBM74305 CNC(=O)c1ccc(NC(=O)Cc2sc(nc2O)N2CCCC2)cc1
BDBM74306 Clc1ccccc1-c1nnc(CN(C2CC2)C(=O)CC2OC(=O)c3ccccc23)o1
BDBM74307 Cc1oc(NC(=O)CSc2nnc(-c3ccco3)n2C)c2c1c(C)n[nH]c2=O
BDBM74308 OC1CCC(CC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1 |(4.41,-8.23,;4.41,-6.69,;5.75,-5.92,;5.75,-4.38,;4.41,-3.61,;3.08,-4.38,;3.08,-5.92,;4.41,-2.07,;5.75,-1.3,;7.08,-2.07,;5.75,.24,;4.41,1.01,;4.41,2.55,;5.75,3.32,;5.75,4.86,;7.08,5.63,;6.31,6.96,;7.85,4.3,;8.41,6.4,;8.41,7.94,;9.75,8.71,;11.08,7.94,;11.08,6.4,;9.75,5.63,;12.42,5.63,;13.75,6.4,;12.42,4.09,;7.08,2.55,;7.08,1.01,)|
BDBM74309 [H]C12CC3([H])CC(Cl)(C1)CC(C2)(C3)C(=O)N(C)CC(=O)Nc1cccc(OC)c1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:3:9:1.11.8|
BDBM74310 CCN(C(=O)COC(=O)c1cc(Cl)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
BDBM74311 CN(CC(=O)Nc1ccc(C)cc1)C(=O)c1cc2CCCCCc2s1
BDBM74312 Cc1cc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)c(C)cc1Br
BDBM74313 CNc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM74314 COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
BDBM74315 CC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
BDBM74316 CC(OC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1)C(=O)NC1CCCC1
BDBM74317 Cc1cc(C)cc(NC(=O)COC(=O)c2ccc3OCCOc3c2)c1
BDBM74318 CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O
BDBM74319 CC1CCCCC1NC(=O)Cn1cc(ccc1=O)[N+]([O-])=O
BDBM74320 CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N1CCCCC1)c1ccco1
BDBM74321 CN(CC(=O)Nc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc12 |t:14|
BDBM74322 CC(=O)c1cccc(OC(=O)C2=C3NS(=O)(=O)C=CN3C=CC2)c1 |c:11,17,21|
BDBM74323 CCN(CC)C(=O)c1cccc(NC(=O)C2=COCCO2)c1 |t:15|
BDBM74324 COc1cc(NC(=O)COc2cccc3CC(C)(C)Oc23)cc(OC)c1OC
BDBM74325 CC(=O)Nc1cccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2)c1
BDBM74326 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2nc(sc2c1)N1CCOCC1
BDBM74327 Cc1ccc(C(=O)OCC(=O)Nc2cc(no2)C(C)(C)C)c(C)c1
BDBM74328 CCS(=O)(=O)c1ccc2oc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)nc2c1
BDBM74329 Cc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)cc1C
BDBM74330 NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1
BDBM74331 COc1cccc(C=CC(=O)OCC(=O)c2ccc(C)c(C)c2)c1OC |w:7.6|
BDBM74332 COc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1OC
BDBM74333 COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1ccccn1
BDBM74334 CN(C1CCS(=O)(=O)C1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccc(C)c(C)c1
BDBM74406 CCc1noc(C)c1C(=O)NNC(=O)c1ccccc1
BDBM74201 COc1ccc(NC(=O)CSc2nn3c(nnc(C)c3=O)s2)cc1
BDBM74202 Cc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)c1ccc(F)c(F)c1
BDBM74203 COc1ccc(C)c2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc12
BDBM74204 O=C(CCS(=O)(=O)c1ccccc1)NCc1ccccc1
BDBM74205 CCN(CC)CCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)C1CCCCC1)c1nc2ccc(OC)cc2s1
BDBM74235 C=CC(=O)NCNC(=O)C=C
BDBM74236 C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cn2cc(Cl)ccc2n1
BDBM74411 Cc1ccc(N)c(C)c1
BDBM74237 [H]C12CCCC([H])(CC(C1)C(=O)OCC(=O)NNC(=O)c1ccccc1F)C2=O
BDBM74238 Brc1ccc(cc1)C(=O)NCCC(=O)NCc1cccnc1
BDBM74239 CCOc1ccc(CCNC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)cc1OCC
BDBM74240 CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)cc1
BDBM74241 O=C(COC(=O)COc1ccccc1)NCc1ccco1
BDBM74336 CCOC(=O)C1CCN(CC1)C(=O)c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O
BDBM74337 Fc1ccccc1-n1c(SCC(=O)NC2CCS(=O)(=O)C2)nc2ccccc2c1=O |(8.18,-1.31,;8.18,-2.85,;6.85,-3.62,;6.85,-5.16,;8.18,-5.93,;9.52,-5.16,;9.52,-3.62,;10.85,-2.85,;10.85,-1.31,;9.52,-.54,;9.52,1,;8.18,1.77,;6.85,1,;8.18,3.31,;6.85,4.08,;6.69,5.61,;5.18,5.93,;4.41,4.6,;3.08,5.37,;3.27,3.57,;5.44,3.45,;12.19,-.54,;13.52,-1.31,;14.9,-.49,;16.29,-1.28,;16.29,-2.88,;14.9,-3.67,;13.52,-2.85,;12.19,-3.62,;12.19,-5.16,)|
BDBM74412 CCOc1ccccc1N
BDBM74413 CC(=O)Nc1cccc(N)c1
BDBM74414 CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCCCCCCCc2ccccc12
BDBM74284 Fc1ccc(cc1)C(=O)NNC(=O)CCC1CCCC1
BDBM74415 OC(=O)c1c(Cl)cccc1Cl
BDBM74416 [#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6])-[#6]-[#8]-[#6](=O)-[#6](\C#N)=[#6](\c1ccccc1)-c1ccccc1
BDBM74206 C\C=C\c1ccc2OCOc2c1
BDBM74207 [O-][N+](=O)c1ccc(F)cc1F
BDBM74242 COc1cccc(CNC(=O)c2cccc(c2)S(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)c1
BDBM74243 CCCCN(C(=O)C(C)N1C(=O)c2ccccc2C1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
BDBM74339 CC(C)N(CCn1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc2c1=O)C(C)C
BDBM74340 O=C(Cn1c2ccccc2ncc1=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM74341 COc1ccc(OCC(=O)NCCCNC(=O)COc2ccc(OC)cc2)cc1
BDBM74342 CS(=O)(=O)c1ccc(cc1)C(=O)CN1C(=O)NC2(CCCc3ccccc23)C1=O
BDBM74343 FC(F)(F)c1ccc(CCNC(=O)c2ccc3OCOc3c2)cc1
BDBM74344 Cc1nn(c(Cl)c1C(=O)NCC1CCCO1)-c1ccccc1
BDBM74345 Cc1ccc(NC(=O)CCCOc2ccccc2)cc1S(=O)(=O)N1CCOCC1
BDBM74346 CC(C)Cn1c(N)c(C(=O)COC(=O)C2CCCN2C(=O)c2cccs2)c(=O)n(C)c1=O
BDBM74347 COc1ccccc1NC(=O)C(C)OC(=O)C1COc2ccccc2O1
BDBM74348 Cc1nnc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)s1
BDBM74349 Nc1nc(SCc2c(Cl)cccc2Cl)c(C#N)c(=S)[nH]1
BDBM74417 CCCCCCCCOc1ccc(cc1)C(O)=O
BDBM74418 C(Nc1ccc(cc1)N1CCOCC1)c1ccccc1
BDBM74419 O=CNc1ccccc1
BDBM74420 CC(C)CC(C)N
BDBM74421 Fc1cccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCCC2)c1
BDBM74422 O=c1c2ccccc2oc2ccc(cc12)C#Cc1ccc(cc1)C#N
BDBM74423 COc1ccc(C=CC(=O)ON=C(N)c2ccccn2)cc1OC |w:11.10,6.5|
BDBM74424 CCN(C(=O)CN1CCCC(C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
BDBM74425 COc1ccccc1CNC(=O)COC(=O)\C=C\c1ccc2ccccc2n1
BDBM74426 Oc1nc(sc1CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)N1CCOCC1
BDBM74427 C[C@H](COC(=O)[C@@H](CC=C)Cc1ccc(F)cc1)NC(=O)[C@H](CC=C)CC(=O)NCCO
BDBM74428 OCCNC(=O)C[C@@H]1C\C=C/CC[C@H](Cc2ccc(F)cc2)C(=O)OC[C@@H](Cc2ccccc2)NC1=O |c:9|
BDBM74429 OC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1C\C=C\CCCC(=O)O[C@@H](CNC1=O)c1ccccc1 |t:17|
BDBM74430 CNC[C@H]1Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC(=O)N(C[C@H]1C)[C@@H](C)CO
BDBM74431 C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C1=O
BDBM74432 COc1ccc(cc1)S(=O)(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc4OCOc4c3)cccc2C(=O)N(C[C@@H]1C)[C@H](C)CO
BDBM74433 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O
BDBM74434 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O
BDBM74435 CN(C1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2c(=O)n1C
BDBM74436 COc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCCC1
BDBM74437 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)COC(=O)c1cncc(Br)c1 |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8|
BDBM74438 CC(OC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1)C(=O)Nc1ccccc1
BDBM74439 OC(=O)c1ccccc1C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
BDBM74440 Cc1nc(SCC(=O)N2CCNC2=O)c2ccccc2n1
BDBM74441 COc1cc(cc(OC)c1OC)C(=O)NNC(=O)CCOc1ccccc1
BDBM74442 O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1
BDBM74443 CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1cccc(c1)C(O)=O
BDBM74208 OC(=O)c1ccc(O)cc1O
BDBM74209 CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1SCC(=O)N1CCCC1
BDBM74210 CC(=O)c1sc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc1-c1ccccc1
BDBM74244 Nc1c(Br)cc(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM74245 Cc1cccc(c1C(O)=O)[N+]([O-])=O
BDBM74246 Nc1cc(Cl)cc(C(O)=O)c1Cl
BDBM74247 CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
BDBM74351 CC1(O)CCN2C(=O)CCc3cccc1c23
BDBM74352 CCOc1ccc(cc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)S(=O)(=O)N1CCOCC1
BDBM74353 CC(Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM74354 CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1
BDBM74355 Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc2OCCOc2c1
BDBM74356 O=C(COc1ccccc1)NCC(=O)N1CCCCCC1
BDBM74211 CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)cc1
BDBM74212 CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F
BDBM74248 Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1
BDBM74249 [O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O
BDBM74250 CCCCOC(=O)COc1ccc(Cl)cc1Cl
BDBM74251 [O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl
BDBM74357 Cc1ccc(cc1)-n1nnnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O
BDBM74358 CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCCC1
BDBM74359 Fc1ccccc1SCC(=O)Nc1ccc(cc1)N1CCOCC1
BDBM74360 COc1ccc(cc1NC(=O)CCc1c(C)noc1C)C(C)(C)C
BDBM74361 CC(N1C(=O)C2CC=CCC2C1=O)C(=O)Nc1nnc(s1)C1CC1 |c:7|
BDBM74362 COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2nc(C)cc(C)n2n1
BDBM74363 Fc1ccc(cc1F)S(=O)(=O)Nc1ccc2OCOc2c1
BDBM74364 CC(NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1)c1ccccc1
BDBM74365 COc1cccc(CNC(=O)c2ccc(NC(=O)Cc3sc(nc3O)N3CCCC3)cc2)c1
BDBM74366 Cc1occc1-c1nnc(SCC(=O)NC2CCCCC2)o1
BDBM74367 CCOc1ccc(cc1)C(=O)COC(=O)c1nn(CC)c(=O)c2ccccc12
BDBM74368 CC(Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C
BDBM74369 Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(8.52,4.41,;8.52,2.87,;9.85,2.1,;9.85,.56,;8.52,-.21,;7.18,.56,;7.18,2.1,;5.67,.83,;5.14,2.27,;4.68,-.35,;8.52,-1.75,;9.85,-2.52,;11.23,-1.7,;12.62,-2.49,;12.62,-4.09,;13.95,-4.87,;11.23,-4.89,;9.85,-4.06,;8.52,-4.83,;7.18,-4.06,;5.81,-4.89,;4.41,-4.09,;3.08,-4.87,;4.41,-2.49,;5.81,-1.7,;7.18,-2.52,)|
BDBM74370 Fc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1
BDBM74371 CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc2OCOc2c1
BDBM74372 COc1ccccc1C(=O)NCC(=O)OC(C)C(=O)N(C)C1CCCCC1
BDBM74373 Fc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c(F)c1
BDBM74374 CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(c1)C(=O)NCc1ccncc1
BDBM74375 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)n1ccnc1
BDBM74376 Cc1noc(C)c1COC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
BDBM74377 COc1cc(OC)cc(c1)C(=O)NC(C(C)C)C(=O)Nc1ccc2OCOc2c1
BDBM74378 NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccc(Br)o2)cc1
BDBM74379 OCc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
BDBM74380 CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)Cc1coc2cc(C)c(C)cc12
BDBM74381 CC(C)CN(C(=O)c1ccc(cc1)N1CCCC1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
BDBM74382 CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
BDBM74383 CN(C)C(CNC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1
BDBM74384 CCCCn1nc(C(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2c1=O
BDBM74385 Clc1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
BDBM74386 COc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)N1CC(C)OC(C)C1
BDBM74387 CC(NC(=O)COC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1ccc(F)cc1
BDBM74388 O=S(=O)(NN=C1CCCc2ccccc12)c1ccccc1 |w:4.3|
BDBM74389 CC(OC(=O)COc1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(C)cc1
BDBM74390 CN(C(=O)c1ccccc1C(=O)OCC(=O)c1ccccc1)c1ccccc1
BDBM74391 C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCN(CC1)c1ccccc1
BDBM74392 O=C(CSc1ccccc1)NCC(N1CCCCC1)c1ccco1
BDBM74393 CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(C)cc2C)c1C
BDBM74394 CCN(C(=O)C(C)Sc1ccc(cn1)S(=O)(=O)N1CCOCC1)c1ccccc1
BDBM74395 Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)NNC(=O)c2ccccc2F)C1=O
BDBM74396 Cc1ccccc1NC(=O)Cc1nc(COC(=O)CCC(=O)c2ccccc2)cs1
BDBM74213 CCCCN(C(=O)C1CN(C(=O)C1)c1ccc2OCCOc2c1)c1c(N)n(CCCC)c(=O)[nH]c1=O
BDBM74214 CCCCCCn1nc(C(=O)N(CCOC)c2c(N)n(CCCC)c(=O)[nH]c2=O)c2ccccc2c1=O
BDBM74252 CCc1ccc(cc1)C(C(Cl)Cl)c1ccc(CC)cc1
BDBM74253 COC(=O)CC#N
BDBM74254 CCOC(=O)C(C)C(C)=O
BDBM74255 Cc1c(N)cccc1N
BDBM74256 C1CCC(CC1)NC1CCCCC1
BDBM74398 CCOc1ccccc1OCCCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
BDBM74399 [H][C@]12COc3ccc(C)cc3[C@]1([H])N1C(=O)c3cc(C)ccc3NC(=O)[C@@]1(C)[C@H]2c1ccccc1
BDBM74400 CN(CC(=O)Nc1ccc(C)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
BDBM74401 CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1c(C)nc2ccccc2c1C
BDBM74402 Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccco1)[N+]([O-])=O
BDBM74403 Cn1c(CC(=O)NNC(=O)c2cccnc2)nc2ccccc12
BDBM74404 Clc1ccc(OCC(=O)NNC(=O)c2ccncc2)cc1
BDBM74405 Cc1sc2nc(CSCC(=O)Nc3c(C)cc(C)cc3Cl)[nH]c(=O)c2c1C
BDBM74215 CC1Cc2ccccc2N1C(=O)CSc1ncccn1
BDBM74216 COc1ccc2oc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c(C)c2c1
BDBM74217 CC1CCCCC11NC(=O)N(CC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)C1=O
BDBM74218 CCOC(=O)C1CCCN(C1)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC
BDBM74219 COc1ccc(cc1)C(CNC(=O)c1oc2c(Cl)cccc2c1C)N1CCCC1
BDBM74220 CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCNC(=O)c1ccccc1OC
BDBM74221 COc1cc(\C=C\C(=O)OC(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O
BDBM74222 COc1ccc(NC(=O)CN(C)C(=O)c2ccccc2SCC(=O)N2CCCC2)cc1
BDBM74223 Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1
BDBM74224 CC[C@H]1c2[nH]c3ccccc3c2Cc2c(O)n(-c3ccc(F)cc3)c(=O)n12
BDBM74225 CN(C)C(CNC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1C)c1ccco1
BDBM74226 Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)NC2(CCCCC2)C#N)c1Cl
BDBM74257 [H][C@]12COc3ccc(Cl)cc3[C@]1([H])N1C(=O)c3cc(Br)ccc3NC(=O)[C@@]1(C)[C@H]2C(=O)OCC
BDBM74258 CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O
BDBM74259 Brc1ccc(cc1)-c1ccccc1
BDBM74260 [#6][N+]1([#6])[#6]-[#6]\[#6](-[#6]-[#6]1)=[#6](\c1ccccc1)-c1ccccc1
BDBM74261 [H]C12CC3([H])CC(Cl)(C1)CC(C2)(C3)C(=O)OCC(=O)N1C(C)CCCC1C |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
BDBM74262 COc1ccc(CC(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCOCC1
BDBM74263 CC1CCN(CC1)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1
BDBM74227 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCC(=O)OCc1nc(N)nc(Nc2ccccc2C)n1
BDBM74228 COc1cccc(CNC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)c1
BDBM74229 COc1cccc(COC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2C)c1OC
BDBM74230 COc1ccc2nc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)sc2c1
BDBM74231 CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCc1nc2ccccc2c(=O)[nH]1
BDBM74232 CCN(CC)c1ccc(cc1NC(=O)C1CCC1)S(=O)(=O)N1CCCCC1
BDBM74233 CC(C)Oc1ccc(cc1NC(=O)CC1OC(=O)c2ccccc12)S(=O)(=O)N1CCOCC1
BDBM74234 Cc1ccc(cc1)S(=O)(=O)CCC(=O)OCC(=O)NC1CCS(=O)(=O)C1
BDBM74264 Cc1ccc(C)c(c1)C(=O)COC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
BDBM74265 Clc1ccc(cc1NC(=O)Cc1cccs1)S(=O)(=O)N1CCCCC1
BDBM74266 CC(N(C)CC(=O)Nc1cccc(F)c1)C(=O)N1CCCCC1
BDBM74267 O=C(NCC1COc2ccccc2O1)c1cccc(c1)S(=O)(=O)N1CCOCC1
BDBM74350 COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12 |(12.56,9.29,;13.55,8.11,;13.02,6.67,;14.01,5.49,;11.5,6.4,;11.5,7.94,;10.17,8.71,;8.84,7.94,;8.84,6.4,;10.17,5.63,;10.17,4.09,;8.84,3.32,;7.46,4.14,;6.06,3.35,;6.06,1.75,;4.73,.97,;7.46,.95,;8.84,1.78,;10.17,1.01,;11.5,1.78,;12.88,.95,;14.28,1.75,;15.61,.97,;14.28,3.35,;12.88,4.14,;11.5,3.32,)|
BDBM74407 Fc1ccccc1C(=O)NCC(=O)NCCN1C(=O)S\C(=C/c2ccc3OCOc3c2)C1=O
BDBM74408 CN(CC(=O)Nc1ccc(C)cc1)C(=O)CCSc1ccc(F)cc1
BDBM74409 Brc1cccc(\C=C\C(=O)NNC(=O)c2ccncc2)c1
BDBM74410 Fc1ccc(cc1)[C@H]1CC(=O)C=C(C1)c1ccc2ccccc2c1 |c:12|
BDBM74397 Cc1cccnc1NC(=O)CCC(=O)c1cccs1
BDBM50034026 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O
BDBM50059293 O1c2ccccc2Sc2ccccc12
BDBM50094569 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|
BDBM50250470 C[C@@H]1O[C@@H](OC[C@H]2OC(Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50242014 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10|