BindingDB logo
myBDB logout

1010 SMILES Strings for karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b

Compound NameSMILES String
BDBM29638 CC(C)c1cc(N2CCN(CC2)C(=O)c2ccco2)n2c3ccccc3nc2c1C#N
BDBM29641 CCCOc1ccc(cc1)C1C(=CN(CCOC)C=C1C(=O)OC)C(=O)OC |c:12,19|
BDBM29663 CCC(=O)Nc1c(c2nc3ccccc3nc2n1Cc1ccccc1)S(=O)(=O)c1ccccc1
BDBM29642 Oc1ccc(cc1)\N=C\c1ccc(s1)-c1cccs1
BDBM29675 Cc1nc2ccc(cc2s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
BDBM29679 Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
BDBM29681 OCCNc1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
BDBM29630 CCc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2c1c(=O)nc1nc(C)[nH]n21 |t:10|
BDBM30644 CCc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
BDBM30737 Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1ccc(Cl)cc1
BDBM30856 Cc1ccc(cc1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
BDBM33129 [O-][N+](=O)c1cc(\C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)ccc1N1CCCC1
BDBM33951 COc1ccc(C=NNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 |w:7.7|
BDBM33675 Cc1ccccc1-n1cnc2cc(NCc3cccs3)ccc12
BDBM33686 Cc1sc(NC(=O)c2cccc(C)c2)c(C#N)c1-c1ccccc1
BDBM32136 CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O
BDBM32344 [O-][N+](=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
BDBM32106 Clc1ccc(CS(=O)(=O)Nc2ccc3OCOc3c2)cc1
BDBM34946 OC(=O)\C=C\C(=O)Nc1ccc2OCC(=O)Nc2c1
BDBM34434 Cc1sc(NC(=O)c2oc3ccccc3c2C)c(C#N)c1C
BDBM37439 Clc1ccc(cc1)C1C(C#N)C(=N)Oc2cc3OCOc3cc12
BDBM38704 COc1cc2CCN(Cc3cccs3)Cc2cc1OC
BDBM38980 C1COc2cc3sc(nc3cc2O1)N1CCOCC1
BDBM39046 COc1cc(cc(OC)c1OC)C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12
BDBM37426 NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N
BDBM38385 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc3CN(CCOC)C(=O)c23)cc1
BDBM36913 Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1
BDBM37092 CCc1ccc(cc1)-c1nc(CSCC(=O)N2CCN(CC2)c2ccccn2)c(C)o1
BDBM37317 OCCN1CCN(CC1)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
BDBM40977 CCN1CCc2c(C1)sc(N)c2C#N
BDBM41489 Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(F)cc1 |c:14|
BDBM40662 CCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
BDBM40017 O=C1CC(\C=C\c2ccco2)=Nc2ccccc2N1 |c:11|
BDBM40464 CCN1C(=S)S\C(C1=O)=C1/Sc2ccccc2N1CCCS(O)(=O)=O
BDBM39421 Cc1ccc(o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
BDBM39718 CCN1\C(=C/C=C/C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:7|
BDBM39444 COc1ccc(cc1OC)C(=O)CC=Nc1cccc(C)n1 |w:14.15|
BDBM43590 CCn1c(cc2sc(Cl)cc12)C(=O)Nc1ccsc1C(=O)OC
BDBM43550 COC(=O)c1n[nH]c2ccccc12
BDBM42770 COC(=O)c1sccc1NC(=O)c1csc(C)c1
BDBM41819 CC(C)Sc1nc(N2CCOCC2)c2CN(C)C(C)(C)Cc2c1C#N
BDBM41832 CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3|
BDBM44743 CCOc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc23)cc1
BDBM45212 COc1ccc(CN2C(=O)C(=CNc3ccc(OC)cc3)c3ccccc3C2=O)cc1 |w:11.11|
BDBM44828 COCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
BDBM44834 Oc1cccc(c1)C1C(C#N)C(=N)SC(=N)C1C#N
BDBM45650 Fc1ccccc1NC(=S)NN=C1C(=O)N(CC=C)c2ccc(cc12)S(=O)(=O)N1CCOCC1 |w:11.11|
BDBM45026 CCCOC(=S)NC(=O)c1sc2ccccc2c1Cl
BDBM44462 CCn1c(SCc2nc(no2)-c2ccccc2)nnc1-c1cccs1
BDBM48520 CCc1ccc(cc1)C(=O)CSc1nnc[nH]1
BDBM47961 Cc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)o1
BDBM48443 CCN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
BDBM48187 Cc1ccc(cc1)-c1nc2cc(N)ccc2o1
BDBM48554 Oc1ccc(-c2n[nH]cc2-c2cccc3cccnc23)c(O)c1
BDBM48426 CCN1C2=C(C(C3=C1CCCC3=O)c1ccc(O)c(Br)c1)C(=O)CCC2 |c:3,6|
BDBM48144 Cc1ccccc1Cn1nnc(n1)-c1cccc(c1)C(O)=O
BDBM49006 COCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc12
BDBM48967 C(Nc1nc2ccccc2n2nnnc12)C1CCCO1
BDBM47575 Clc1ccc(cc1)C(=O)Oc1c(Br)cc(cc1Br)C(=S)N1CCOCC1
BDBM47499 Clc1ccc(\C=C/c2nccc3c4ccccc4[nH]c23)cc1
BDBM47317 Clc1cccc(-c2ccc(\C=N\c3ccc(cc3)N3CCOCC3)o2)c1Cl
BDBM46558 Oc1ccc(C(=O)NNc2c3ccccc3nc3ccccc23)c(O)c1
BDBM51488 Oc1ccc2c3CCCCc3c(=O)oc2c1CN1CCOCC1
BDBM51037 Cc1cc(C)c[n+](c1)-c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)s1
BDBM51498 CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
BDBM51499 Cc1c(O)c(CN2CCCCC2)cc2c3CCCc3c(=O)oc12
BDBM51502 CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
BDBM51503 CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12
BDBM51286 Clc1ccccc1C(=O)[N-]c1ccc[n+](c1)-c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
BDBM51524 CN(C)CCCNc1cc(C)nc2c3c(C)cc(C)nc3nn12
BDBM51117 COc1ccc(cc1)-n1c(C)cc(\C=C2\SC(=S)N(C)C2=O)c1C
BDBM51155 Cc1oc2cc(O)ccc2c(=O)c1-c1nncn1-c1ccccc1 |(8.62,2.38,;9.39,1.05,;10.72,1.82,;12.06,1.05,;13.43,1.87,;14.83,1.08,;16.16,1.85,;14.83,-.53,;13.43,-1.32,;12.06,-.49,;10.72,-1.26,;10.72,-2.8,;9.39,-.49,;8.05,-1.26,;7.89,-2.8,;6.39,-3.12,;5.62,-1.78,;6.65,-.64,;5.62,.51,;6.09,1.97,;5.06,3.12,;3.56,2.8,;3.08,1.33,;4.11,.19,)|
BDBM51291 C\C=C\C=C\[C@H]1Cc2cc(O)cc(O)c2O1
BDBM51481 CCOC(=O)c1c(N)n(CCCOC(=O)c2ccco2)c2nc3ccccc3nc12
BDBM51188 COc1ccc(cc1OC)\[NH+]=C\c1c[c-](Cc2ccccc2Cl)cc([N+]([O-])=O)c1=O
BDBM51002 CCN1\C(Sc2ccccc12)=C1/SC(=S)N(Cc2ccccc2)C1=O
BDBM50173 Cc1ccc(cc1C)-n1[nH]c([O-])c([CH+]c2cc3OCOc3cc2[N+]([O-])=O)c1=O
BDBM50355 Cc1ccccc1CN=Nc1ccnc2cc(Cl)ccc12 |w:9.10|
BDBM50085 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2cccc(-[#7]\[#6]=[#6]-3\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-3=O)n2)-[#6](=O)-[#6]1
BDBM50693 Fc1ccc(NC2=NC(=O)C(S2)=Cc2c[nH]c3ccccc23)cc1 |w:12.13,t:6|
BDBM50835 CCOC(=O)N1CCC(CC1)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
BDBM50593 Cc1ccc(cc1)C(=O)NNc1c2ccccc2nc2ccccc12
BDBM49671 CCOC(=O)c1sc(NC(=O)Nc2ccc(F)cc2)nc1C
BDBM49220 COc1ccc(cc1)C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12
BDBM49624 Cc1ccc(cc1)C(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc23)s1
BDBM49246 COc1cccc(c1)C(=O)CC=Nc1cc(C)ccc1O |w:12.13|
BDBM53670 CN(C)c1oc(nc1C#N)-c1cccs1
BDBM53681 OC(=O)C1CCC(CNC(=O)Cc2cc(=O)oc3cc(O)ccc23)CC1 |(3.08,-6.86,;4.41,-6.09,;5.75,-6.86,;4.41,-4.55,;3.08,-3.78,;3.08,-2.24,;4.41,-1.47,;4.41,.07,;5.75,.84,;5.75,2.38,;4.41,3.15,;7.08,3.15,;7.08,4.69,;5.75,5.46,;5.75,7,;4.41,7.77,;7.08,7.77,;8.41,7,;9.79,7.82,;11.19,7.03,;12.52,7.8,;11.19,5.42,;9.79,4.63,;8.41,5.46,;5.75,-2.24,;5.75,-3.78,)|
BDBM52569 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(F)cc2)c(C)n1-c1ccc(cc1)C(O)=O |w:4.3|
BDBM52433 CN1C(=O)\C(=C\c2ccc3OCOc3c2)N=C1c1ccccc1 |c:17|
BDBM52272 Cc1ccc(cc1C)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
BDBM52704 CC(C)Cc1nn2c(N)c(\C=C3/C=Nc4ccccc34)c(=O)nc2s1 |c:12|
BDBM52520 CSc1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:12|
BDBM52555 Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
BDBM52925 CCOC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2CN(C)CCc12
BDBM53072 CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
BDBM53249 CSCC(C)N1CCC(CC1)N1CCC(CC1)C(=O)NCc1ccccn1
BDBM53308 CSCC(C)N1CCC(CC1)Oc1cccc(c1)C(=O)NCc1ccccn1
BDBM53311 COc1ccc(CCNC(=O)c2cc3c(nc4c(C)cccn4c3=O)n(CCCN3CCOCC3)c2=N)cc1
BDBM53320 COc1ccc(CCn2c3nc4ccccn4c(=O)c3cc(C(=O)NC3CCCCC3)c2=N)cc1
BDBM53321 Brc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCCC2)c1=N
BDBM53328 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1nc(no1)-c1cccc(C)c1
BDBM53334 COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)C(C)CSC
BDBM52775 CC1OC2(C)OC(=N)C1(C#N)C(C#N)(C#N)C2C |TLB:7:6:16.11:2.1,0:1:16.11:5.6,THB:17:16:2.1:5.6|
BDBM53021 CCCCN(C)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1
BDBM52844 NS(=O)(=O)c1ccc(cc1)N=Nc1c[nH]c(=O)c(O)c1 |w:10.10|
BDBM53177 CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(C)n(c2C)-c2cc(cc(c2)C(O)=O)C(O)=O)C1=O |w:15.16|
BDBM53108 COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12
BDBM51650 COc1ccc(cc1)-c1cc(n2nc(N)nc2n1)C(F)(F)F
BDBM51528 CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
BDBM51605 O=C(Oc1ccc2c3CCCCc3c(=O)oc2c1)c1ccco1
BDBM51981 CC(=O)c1ccc(cc1)-c1ccc(Cn2c(C)nc3cc(N)c(C)nc23)cc1
BDBM51577 CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(CC)c(=O)oc12
BDBM51619 COc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
BDBM51665 CCOC(=O)CC(=O)CSc1nc2CCCc2cc1C#N
BDBM51669 CN(C)Cc1c(O)ccc2c3CCCCCc3c(=O)oc12
BDBM52071 COc1cc(ccc1OC(C)C)C1C2CN(C)CCC2=C(C#N)C(=N)C1(C#N)C#N |t:21|
BDBM51579 CN(C)Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12
BDBM51581 CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
BDBM52121 CCOC(=O)N1CCN(CC1)\C=C(/C#N)c1nc2ccccc2s1
BDBM52123 N#C\C(=C/N1CCN(Cc2ccc3OCOc3c2)CC1)c1nc2ccccc2s1
BDBM51758 CN1CCCC1CCNc1ccc2c(c1)oc1cc(C)c(C)cc1c2=O
BDBM51632 CC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
BDBM51820 Oc1cc2ccccc2cc1C(=O)NNc1c2ccccc2nc2ccccc12
BDBM51648 CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12
BDBM51934 Cc1nc(Nc2cnc(\C=C\c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc(n1)N1CCNCC1
BDBM55950 O=C(Cn1nnc(n1)-c1ccncc1)NCCc1ccccc1
BDBM55814 Clc1ccc(Cl)c(c1)-c1ccc(C=C2C(=O)NC(=O)NC2=O)[nH]1 |(3.08,4.19,;4.61,4.35,;5.24,5.76,;6.77,5.92,;7.67,4.68,;9.21,4.84,;7.05,3.27,;5.52,3.11,;7.95,2.02,;9.49,2.02,;9.97,.56,;8.72,-.35,;8.72,-1.89,;10.06,-2.66,;10.06,-4.2,;8.72,-4.97,;11.39,-4.97,;12.72,-4.2,;14.06,-4.97,;12.72,-2.66,;11.39,-1.89,;11.39,-.35,;7.48,.56,)|
BDBM55832 COc1cc(C=NNC(=O)c2cc(C)oc2C)ccc1O |w:6.6|
BDBM55566 O=C(NCCc1c[nH]c2ccccc12)C(=C/c1ccc(o1)N1CCCCC1)\C#N
BDBM55598 Cc1ccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)cc1
BDBM54401 Cc1csc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12
BDBM54824 COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)cc1[N+]([O-])=O
BDBM54453 CC(Nc1ncnc2sccc12)c1ccccc1
BDBM55300 CN(CC(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
BDBM55309 COc1ccc(cc1)C1C(C#N)C(=N)Oc2cc3OCOc3cc12
BDBM55284 CSc1sc(C)cc1C1C(C#N)C(=N)N(C2=C1C(=O)CCC2)c1cccnc1 |c:16|
BDBM53973 OC(=O)Cn1cc(\C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c2ccccc12
BDBM54113 CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
BDBM54019 CC(C)S(=O)(=O)c1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:16|
BDBM53985 O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1cccnc1
BDBM54022 CC(=O)c1ccc(s1)-c1cccs1
BDBM57978 Oc1ccc(CN=Nc2ccc3ccccc3c2)c(O)c1 |w:7.7|
BDBM58045 COCCCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc12
BDBM57955 CC(=NNC(=S)NCc1ccccc1)c1cccc(Br)c1 |w:2.2|
BDBM58159 O=C1N=C(Nc2ccccc2)SC1=Cc1c[nH]c2ccccc12 |w:13.15,t:2|
BDBM57998 COc1ccc(cc1)C1=N\C(=C/c2c(C)[nH]c3ccccc23)C(=O)O1 |t:9|
BDBM57152 Oc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1
BDBM56912 COCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
BDBM57118 Oc1c(CN2CCN(CC2)c2ccc(F)cc2)cc(Cl)c2cccnc12
BDBM56946 Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(C)n1
BDBM56675 O=C(Nc1ccccc1-c1ccccc1)c1cccs1
BDBM57733 COc1ccccc1N1CCN(CC1)C(=O)\C=C\c1ccc(C)cc1
BDBM56574 Clc1ccc(cc1)-c1csc(n1)-c1cc2ccccc2oc1=N
BDBM56297 CC(=O)N1CN2CN(CC(C2)(C1)C(=O)c1ccccc1)C(C)=O
BDBM60208 [#6]=[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#6]=[#6](\C#N)C#N)-[#6]=[#6]-1 |c:4,14|
BDBM60177 Cc1cc(ccc1-c1ccc(\C=C2/NC(=O)N(Cc3ccccc3Cl)C2=O)o1)C(O)=O
BDBM60329 Cc1cc(C)c(C#N)c(Nc2ccccc2C)n1
BDBM58991 Cc1c(Br)c(=O)oc2c(Br)c(O)c(O)cc12
BDBM59056 Oc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1O |w:5.4|
BDBM59270 Fc1ccccc1N1CC(C(=N1)c1cccs1)c1ccccc1 |c:11|
BDBM59935 O=C(N1CCOCC1)C(=C\c1ccc(o1)N1CCOCC1)\C#N
BDBM58584 CCOC(=O)c1ccc(cc1F)-c1ccc2c(c1)n(C)c1ccccc1c2=O
BDBM58638 CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\C=C\c4cnc(Nc5cc(nc(C)n5)N5CCNCC5)cn4)c3)cc2C(F)(F)F)CC1
BDBM58411 CCc1ccc(CNc2ccc3n(cnc3c2)C(C)(C)C)cc1
BDBM62811 Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
BDBM62412 Brc1ccc(cc1)C(=O)Cn1cnc2c(C#N)n3CCCc3c2c1=O
BDBM62523 Cc1ccc2nc(N3CCN(Cc4nnnn4Cc4ccccc4)CC3)c(cc2c1)C#N
BDBM62710 CCOC(=O)c1ccc2ncc(C(C)=O)c(O)c2c1
BDBM62798 CCOc1ccc(cc1OC)C1N2CCCC2C(=O)N1c1ccc(F)cc1
BDBM62205 Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
BDBM61161 CCCCn1c(NC(=O)c2ccc(Br)o2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
BDBM66429 CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1[N+]([O-])=O
BDBM66286 Cc1cc(C2C(C#N)C(=N)SC(=N)C2C#N)c(C)s1
BDBM66463 COc1ccc(cc1)-c1nc(NC(=O)c2n[nH]c(=O)c3ccccc23)sc1C
BDBM66209 Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccc(Cl)c1
BDBM66432 CCN1C(=S)O\C(C1=O)=C1\Sc2ccccc2N1CC
BDBM66082 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM64013 COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1ccccc1F)C(=O)OC |c:19,t:4|
BDBM64082 OC1(CCCCC1)C#Cc1ccc2sc3ccccc3c(=O)c2c1
BDBM64544 Oc1c(ccc2cccnc12)C(Nc1nc2ccccc2s1)c1ccco1
BDBM64935 Cc1ccc(cc1)C1C2CSCCC2=C(C#N)C(=N)C1(C#N)C#N |t:15|
BDBM65540 CCN(CC)c1ccc(C=NNC(=O)c2ccc3nc[nH]c3c2)c(O)c1 |w:10.10|
BDBM65337 [H]C12CCC(C)(C(C1)OCC[N+](C)(C)CC(=O)OC(C)CC)C2(C)C |TLB:8:6:22:3.2|
BDBM65365 COc1ccc(NC(=O)C(=C/c2ccc(o2)N2CCOCC2)\C#N)cc1
BDBM65630 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1 |w:4.3|
BDBM64889 CC(C)CCNC(=O)C(N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N)c1ccco1
BDBM65016 COCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12
BDBM65490 Clc1cc(CN2CCOCC2)c(OC(=O)c2ccccc2)c2ncccc12
BDBM64782 Oc1ccccc1CN=Nc1cc(nc(n1)N1CCCC1)N1CCCC1 |w:9.10|
BDBM64785 Oc1cccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)c1 |w:8.8|
BDBM63660 [#6]-[#8]-c1ccc(cc1)-[#6]-1-[#7]-[#6](=S)-[#7]=[#6]2-[#6]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]-1\[#16]-[#6]-[#6]-[#16]-1 |c:13|
BDBM63780 FC(F)(F)c1ccc(cc1)C1=NOC(C1)C(=O)NCc1ccccc1C(F)(F)F |t:11|
BDBM63726 COc1cc(SC)ccc1C(=O)Nc1nc(C)cs1
BDBM68031 Cc1ccc(cc1)N=Cc1cc2C(C(C#N)C(=N)Oc2cc1O)c1ccccc1 |w:7.7|
BDBM68654 CC1(C)CC(=O)C=C(C1)Nc1ccccc1F |c:6|
BDBM68441 Cc1nc2nc(=O)c3C(C4=C(CC(C)(C)CC4=O)Nc3n2[nH]1)c1ccccc1 |t:9|
BDBM68445 Cc1nc2nc(=O)c3C(C4=C(CC(C)(C)CC4=O)Nc3n2[nH]1)c1ccc(F)cc1 |t:9|
BDBM68523 COc1ccc(cc1OC)-c1c(N)nnc2c3ccccc3[nH]c12
BDBM68486 CC1(C)CC(=O)C=C(C1)Nc1ccccc1O |c:6|
BDBM67157 CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1 |c:17,t:1|
BDBM71882 COc1ccc(cc1)-c1nnc(SCC(O)=O)n1CC(C)=C
BDBM71267 O=c1[nH]c(Nc2ccccn2)cc2ccccc12
BDBM71273 Clc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
BDBM71627 Cc1nnc(Sc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2Cl)s1
BDBM71628 CN(C)CCCn1c(N)c(C#N)c2nc(C#N)c(nc12)C#N
BDBM71831 Cc1cccc(C)c1N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
BDBM71110 Cc1c(C)n(Cc2ccccc2)c(NC(=O)CCl)c1C#N
BDBM70347 CC(C)c1[nH]nc2OC(=N)C(C#N)C3(CCN(Cc4ccccc4)CC3)c12
BDBM70582 CCCCNC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
BDBM70151 CC(=O)N1CCc2c(C1)sc(NC(=O)CS(=O)(=O)c1ccc(F)cc1)c2C(N)=O
BDBM70159 CC(=O)N1CCc2c(C1)sc(NC(=O)CCS(=O)(=O)c1ccc(C)cc1)c2C(N)=O
BDBM70245 Cc1[nH]nc2OC(=N)C(C#N)C(c3ccoc3)c12
BDBM70084 OC1CCN(CC1)[C@@H]1CCN(C[C@H]1O)C(=O)c1cccc(c1)-c1ccccc1
BDBM69839 COc1ccc(OC)c(Nc2c3ccccc3nc3ccccc23)c1
BDBM69006 Fc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc12
BDBM68782 CSc1nc(NCC(C)C)c2c3CCN(C)Cc3sc2n1
BDBM73775 Cc1ccc(cc1)-c1ccc(\C=C(/C#N)C(N)=S)n1C
BDBM73643 CCC(N1CCC(CC1)C(N)=O)c1nnnn1C1CCCC1
BDBM72857 CCc1cc(=O)oc2c(CNCc3ccccc3F)c(O)c(Cl)cc12
BDBM73231 Cc1ccc2cc(C#N)c(NCCNC(=O)C3CCC3)nc2c1C
BDBM73420 Clc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCN(CC1)C(=O)c1ccco1
BDBM73221 Cc1ccc(OCc2nnc(SCC(=O)CC(=O)Nc3ccccc3)o2)cc1
BDBM73138 COC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CN(CCc12)C(C)C
BDBM72239 CCN(N=CC=Cc1ccccc1)c1cc(=O)n(C)c(=O)[nH]1 |w:3.2,5.4|
BDBM74750 Nc1nc(cc(=O)[nH]1)N1CCOCC1
BDBM75226 CCCCc1cc(-c2nnc(S)o2)c2ccccc2n1
BDBM75227 NC(=O)NN=Cc1ccccc1OC(=O)c1cc2ccccc2oc1=O |w:4.3|
BDBM75228 COc1ccc(cc1)-c1c(C)c2ccc(O)cc2oc1=O
BDBM74783 Cc1cc([nH]n1)C(=O)NNC1=CC(=O)CC(C)(C)C1 |t:11|
BDBM74817 Cc1ccc(NC(=S)NCCN2CCOCC2)cc1
BDBM74850 O=C1NC(=O)\C(=C/N2CCCc3ccccc23)C(=O)N1Cc1ccccc1
BDBM74851 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2)c1CSc1ccc(Cl)cc1
BDBM74852 CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1\C=C(/C#N)C(=O)NCC=C
BDBM74853 CC1CC1c1ccc(\C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1
BDBM74854 CC1CC1c1ccc(\C=C(/C#N)C(=O)Nc2ccccc2Cl)o1
BDBM74855 Cc1ccccc1N=Cc1cc2C(C(C#N)C(=N)Oc2cc1O)c1ccccc1 |w:7.7|
BDBM74856 CC(C)CC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cccc(C)c1)C2=N |c:9,t:4|
BDBM74857 COc1ccc(cc1)C1c2c(Oc3ncn(Cc4ccco4)c(=N)c13)ccc1ccccc21
BDBM74858 COC(=O)Cn1c2ccc(OC)cc2s\c1=N\C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM74886 COc1ccc(NC(=O)COC(C)=O)cc1Cl
BDBM74887 Cc1cccc(Nc2nnc(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)s2)c1C
BDBM74888 Oc1ccc2c(CN3CCN(CC3)S(=O)(=O)\C=C\c3ccccc3)cc(=O)oc2c1
BDBM74889 CC(C)Cn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O
BDBM74930 CCOc1ccc(OCc2ccc(cc2)C(=O)N(CC)CC)cc1
BDBM74931 Clc1ccccc1C(=O)NN=Cc1sc(nc1-c1ccccc1)N1CCOCC1
BDBM74932 OC(=O)Cn1cc(\C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc12
BDBM74933 Cc1ccc(C2C(C#N)C(=N)N(C3=C2C(=O)CCC3)c2cccnc2)c(C)c1 |c:12|
BDBM75044 COC(=O)c1cc(NC(=O)c2ccc(cc2)[N+]([O-])=O)c(=O)oc1C
BDBM75045 OC(=O)c1cn(Cc2cccnc2)c(=O)c2ccccc12
BDBM75119 Cc1ccc(Nc2nc(N)[nH]c(=O)c2N=O)cc1
BDBM75179 CCc1cc(=O)oc2c(CNCc3ccc(OC)cc3OC)c(O)c(Cl)cc12
BDBM75180 CC(N1CCCCC1)c1nc2ccccc2n1Cc1ccccc1
BDBM75181 COc1ccccc1Nc1c2ccccc2nc2ccccc12
BDBM75182 COCCNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(CC1)c1ccccc1)\C#N
BDBM75183 CCOC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(CC1)c1ccc(OC)cc1)\C#N
BDBM75184 COCCNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(CC1)c1ccc(OC)cc1)\C#N
BDBM75185 COc1cccc(c1)-c1coc2c(C)c3oc(=O)c(CC(O)=O)c(C)c3cc12
BDBM75186 Cc1c(CC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12
BDBM75187 COc1cc2sc3ccc(cc3c(=O)c2cc1OC)C#CC1(O)CCCCC1
BDBM75188 CN(C)C(=O)Oc1ccc2C(=O)\C(Oc2c1C)=C\c1ccco1
BDBM75189 COc1cc2CCN(CC(=O)Nc3ccc(F)cc3)Cc2cc1OC
BDBM75229 Cc1cnc(=O)[nH]c1SCC(=O)c1ccc(F)cc1
BDBM75230 CC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(O)cc1O |w:2.2|
BDBM75231 CC1CN(Cc2cc(=O)oc3cc(O)ccc23)CC(C)O1
BDBM74751 CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)c(C#N)c1C
BDBM74752 COCC(C)OC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12
BDBM74786 NC(=N)SCc1nc2ccccc2c(=O)n1-c1ccccc1Cl |(2.16,14.08,;2.16,12.54,;.83,11.77,;3.49,11.77,;3.49,10.23,;4.83,9.46,;6.16,10.23,;7.49,9.46,;8.87,10.28,;10.27,9.49,;10.27,7.88,;8.87,7.09,;7.49,7.92,;6.16,7.15,;6.16,5.61,;4.83,7.92,;3.49,7.15,;3.49,5.61,;2.16,4.84,;.83,5.61,;.83,7.15,;2.16,7.92,;2.16,9.46,)|
BDBM74787 Nc1c(C#N)c2nc3ccccc3nc2n1CCNC(=O)c1ccc(Cl)cc1
BDBM74788 Cc1ccc2nc(NCC(O)=O)nc(-c3ccccc3)c2c1
BDBM74789 CCCN1CCC2(CC1)C(C#N)C(=N)Oc1c2sc2nc(C)cc(C)c12
BDBM74790 Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc2OCOc2c1
BDBM74791 Fc1ccc(cc1)C(=O)Cc1nc2ncc(Br)cc2[nH]c1=O
BDBM74792 CN(C)c1nc(cc(c1C#N)C(F)(F)F)-c1ccccc1
BDBM74793 FC(F)(F)c1cccc(c1)-c1nc2c(C#N)c(ccn2n1)-c1ccc2OCOc2c1
BDBM74794 [H]C12CCC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(OCC)cc1[N+]([O-])=O |c:6,TLB:10:9:3.2:6.7,THB:13:8:3.2:6.7|
BDBM74890 COCCNC(=O)C(=C\c1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)\C#N
BDBM74891 NS(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
BDBM74892 CCOC(=O)C1C(c2sccc2C)C2=C(CCCC2=O)OC1=N |t:14|
BDBM74893 CC1=NN(C(=O)Cn2nc(cc2C)[N+]([O-])=O)C(O)(C1)C(F)(F)F |t:1|
BDBM74894 Cc1[nH]c2ccccc2c1C=C1SC(Nc2ccc(C)cc2)=NC1=O |w:10.11,c:24|
BDBM75046 COc1ccccc1NC(=O)c1cc2ccccc2nc1C
BDBM75047 Cc1ccc(NC(=O)COC(=O)Cc2ccsc2)c(C)c1
BDBM75048 O=C(CSc1ccccn1)C(C#N)c1nc2ccccc2s1
BDBM75120 CN1CC2=CC(O)CC3Oc4c(c(C1)ccc4O)[C@]23C |t:3|
BDBM75121 Cc1ccc(C2=Nc3ncnn3C(C2)c2ccccc2)c(C)c1 |t:5|
BDBM75122 Cc1cc(C)c(cc1C)C1=Nc2ncnn2C(C1)c1ccccc1 |t:10|
BDBM75232 OC(=O)c1c2CCC\C(=C/c3ccc(OC(F)F)cc3)c2nc2ccccc12
BDBM75233 O=C(N1CCN(Cc2ccccc2)CC1)c1cc2c(nc3ccccn3c2=O)s1
BDBM75234 Clc1cccc(c1)N1CCN(CC1)C(=O)c1cc2c(nc3ccccn3c2=O)s1
BDBM75235 Cc1cccn2c1nc(Oc1ccc(F)cc1)c(\C=C(/C#N)C(=O)NC1CCS(=O)(=O)C1)c2=O
BDBM75236 COc1ccc(cc1)-c1nc2ccc(cc2nc1-c1ccc(OC)cc1)C(=O)NCCCN1CCOCC1
BDBM75237 CCN1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N1CC(C)OC(C)C1)c2C(N)=O
BDBM75238 COc1cccc(c1)-c1cc(C(=O)NC2CC2)c2ccccc2n1
BDBM75239 COc1ccc(cc1)N1C(=O)N2[C@@H]([C@H]3[C@H](C(=O)N(C3=O)C(C)(C)C)[C@]2(Cc2ccccc2)C1=O)c1ccc(Br)cc1
BDBM75240 Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
BDBM75241 CC(C)c1ccc(CN2CCC(CC2)Oc2ccc(cc2)C(=O)N2CCCC2)cc1
BDBM75242 CC(C)Cc1ccc(CN2CCC(CC2)n2nccc2NC(=O)C2CCCC2)cc1
BDBM75243 CC1CC(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc2S1(=O)=O
BDBM75244 COc1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)C(C)CC2=O)cc1
BDBM75245 CC(CC(F)(F)F)N1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
BDBM75246 COc1ccc2c(C)c(oc2c1)C(=O)N1CC[C@H]([C@H](O)C1)N1CCC(O)CC1
BDBM75247 CC1CCCCN1C(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC1
BDBM75248 OC[C@@H]1CCCN1Cc1c(nc2ccc(Cl)cn12)C(=O)N1CCCCCCC1
BDBM75249 COc1ccc(cc1)S(=O)Cc1ccc(o1)C(=O)NC1CC1
BDBM75250 CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)NCc1ccccc1
BDBM75251 CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(Cl)c1
BDBM75252 CC(NC(=O)C(=C\c1ccc(cc1)N1CCOCC1)\C#N)c1ccccc1
BDBM75253 NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2OCCOc2c1
BDBM75254 COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)C1CC1
BDBM75255 Cc1ccc(OCC(=O)NCCNC(=O)c2ccc(C)nc2)cc1
BDBM75256 CCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM75257 CCc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CCC(=O)Nc1nccs1
BDBM75258 CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)NCc2ccncc2)cc1
BDBM75259 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C1CCCCC1
BDBM75260 Cc1ccc(cc1)S(=O)(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C2CCCCC2)c1=N
BDBM75261 CC#CC(=O)N1CCC(CC1)C(=O)Nc1ccc(Oc2ccccc2)nc1
BDBM75262 CCCC(C)c1nnc(NC(=O)C2CN(C(=O)C2)c2ccc(OCC)cc2)s1
BDBM75263 COc1cccc(c1)N1CCN(CC1)C(=O)c1cc2c(ccn(Cc3ccccc3)c2=O)nc1C
BDBM75264 Cc1ccc(cc1C)S(=O)(=O)NCCc1cn2nc(C)c(C)nc2n1
BDBM75265 Cc1nc2nc(CCNS(=O)(=O)c3ccc(Cl)cc3)cn2nc1C
BDBM75266 Cc1c(CC(=O)N2CCN(CC2)C(=O)C2COc3ccccc3O2)c(=O)oc2cc(O)c(Cl)cc12
BDBM75267 O=C(N\N=C\c1sc(=O)[n-]c1-[n+]1ccc2ccccc2c1)c1ccccc1
BDBM75268 CSCC(C)N1CCC(CC1)n1nccc1NC(=O)c1ccccc1C
BDBM75269 CC(C)(C)CN1CCC(CC1)n1nccc1NC(=O)c1ccccc1Cl
BDBM75270 Cc1ccc(cc1)-c1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc2OCOc2c1
BDBM75271 Clc1ccc2N(CCS(=O)(=O)c3ccccc3)C(=O)C(=O)c2c1
BDBM75272 COc1ccc(CCNC(=O)c2cc3c(nc4ccccn4c3=O)n(CCCN3CCOCC3)c2=N)cc1
BDBM75273 CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCc3ccccn3)ccc12
BDBM75318 C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2c(C)noc2C)Oc2ccc(cc2CC1=O)N(C)C
BDBM75319 C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)Oc2c(NC(=O)c3ccc(cc3)-c3nccs3)cccc2C1=O
BDBM74753 Cc1sc2NC(NC(=O)c2c1C)c1ccc(C)cc1O
BDBM74754 CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1c(C)n(C)n(-c2ccccc2)c1=O
BDBM74755 CCN(CC)Cc1c(O)c(Cl)cc2c3CCCCc3c(=O)oc12
BDBM75049 COc1ccc(cc1)N1Cc2ccccc2C1=NC(=O)Nc1ccccc1 |w:17.20|
BDBM75050 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Cn1c(NCC(C)O)nc2ccccc12 |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
BDBM75051 COc1ccc(cc1)N1C(Nc2ccccc2C1=O)c1cccnc1
BDBM75052 CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NC(C)c2ccccc2)c1=O
BDBM75053 CN1CCc2nc(NC(=O)COc3ccc(cc3)C#N)sc2C1
BDBM75054 O=C(CN1CCN(C\C=C\c2ccccc2)CC1)NC(=O)NC1CCCCC1
BDBM75055 CN(CCOc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+]([O-])=O
BDBM75056 CN1CCN(CC1)C(=O)c1ccccc1Nc1ccc(SC(F)F)cc1
BDBM75057 COc1cc(cc(OC)c1OC)-c1cc2nc3ccccc3n2c(N)c1C#N
BDBM75058 Cc1cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)n1CC1CCCO1
BDBM75059 CCCCn1c(N)c(N(CCOC)C(=O)CN2C(C)Cc3ccccc23)c(=O)[nH]c1=O
BDBM75060 COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCOCC2)cc1
BDBM75086 CC(=O)c1sc2nc(C)c3CCCCc3c2c1N
BDBM75087 Cc1sc2NC(NC(=O)c2c1C)c1ccccc1F
BDBM75123 OC1C2C(CCCC2C(O)=O)CN2CCc3c([nH]c4ccccc34)C12
BDBM75124 Cc1ccc(CNC(=O)c2cccnc2)cc1
BDBM75125 FC(F)(F)Oc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1
BDBM75190 Cn1c(nc2c1[nH]c(=O)n(C)c2=O)-c1ccc(Cl)cc1
BDBM75274 COc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NC3CCCCC3)c2=N)cc1
BDBM75275 COc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCC3CCCO3)c2=N)cc1
BDBM75276 Nc1c(\C=C2/C=Nc3ccccc23)c(=O)nc2sc(CC(=O)N3CCOCC3)nn12 |c:5|
BDBM75277 CCC(=NNC(=O)c1cc(n[nH]1)C1CC1)c1ccccc1 |w:3.3|
BDBM75278 COc1ccc(Br)cc1C=CC(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 |w:9.9|
BDBM75279 Brc1ccc(cc1)C(=O)NC(=S)N1CCCCC1c1cccnc1
BDBM74756 CCN(C(=O)c1c(C)cc(=O)oc1C)c1ccc2OCOc2c1
BDBM74757 CC(C)Sc1nc(N2CCOCC2)c2c3CC(C)(C)OCc3sc2n1
BDBM74758 CCOC(=O)C1CCCc2c1[nH]c1c(cccc21)C(N)=O
BDBM74796 CCOCCCNC(=S)NCCCNc1nc2cc3OCOc3cc2cc1C#N
BDBM74797 Cc1cccc2cc(C#N)c(NCCNC(=S)NCCCN3CCOCC3)nc12
BDBM74798 Cc1ccc(cc1)-c1nnn(CC(=O)N(C(C(=O)NCC2CCCO2)c2ccc(Cl)cc2)c2ccccc2)n1
BDBM74799 COc1ccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)cc1
BDBM74800 CCOCCCNC(=S)NCCNc1nc2c(C)cccc2cc1C#N
BDBM74801 CCN(CC)c1nc(cc(c1C#N)C(F)(F)F)-c1ccccc1
BDBM74860 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NCc1nnc(SC(C)C)n1C1CCCCC1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
BDBM74861 Cc1cccc(CN2CCc3c(OCC(=O)N4CCCc5ccccc45)cccc3C2=O)c1
BDBM74862 COc1cc2CCN(Cc3cc(=O)oc4c(C)c(C)ccc34)Cc2cc1OC
BDBM74863 O=C(COC(=O)c1ccc2ccccc2c1)NCCCc1ccccc1
BDBM74864 COc1cc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc(OC)c1OC
BDBM74865 Fc1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
BDBM74866 Cc1cccc(C)c1OCC(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
BDBM74867 CCN(CC)S(=O)(=O)c1ccc(\C=C\C(=O)Nc2ccc(F)cc2F)cc1
BDBM74868 CN(Cc1ccc(cc1)C(=O)NNC1=CC(=O)CC(C)(C)C1)S(=O)(=O)c1ccc(C)cc1 |t:14|
BDBM74967 [#6]-c1cc(\[#6]=[#6](\C#N)C#N)ccc1-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
BDBM74968 CCCn1c(O)c(C=Nc2ccccc2)sc1=S |w:8.8|
BDBM75008 CCn1c(=O)cc([nH]c1=O)N1CCOCC1
BDBM75009 CCOC(=O)N1CCN(CC1)c1cc(=O)n(-c2ccccc2C)c(=O)[nH]1 |(8.41,8.47,;7.08,7.7,;7.08,6.16,;5.75,5.39,;4.41,6.16,;5.75,3.85,;7.08,3.08,;7.08,1.54,;5.75,.77,;4.41,1.54,;4.41,3.08,;5.75,-.77,;7.08,-1.54,;7.08,-3.08,;8.41,-3.85,;5.75,-3.85,;5.75,-5.39,;7.08,-6.16,;7.08,-7.7,;5.75,-8.47,;4.41,-7.7,;4.41,-6.16,;3.08,-5.39,;4.41,-3.08,;3.08,-3.85,;4.41,-1.54,)|
BDBM75088 O=C(CN1CCOCC1)NNc1c2ccccc2nc2ccccc12
BDBM75089 CCC(=O)Nc1ccc(cc1)N=C(N)Nc1nc(C)cc(C)n1 |w:11.11|
BDBM75090 OCCCC(=O)NNc1c2ccccc2nc2ccccc12
BDBM75126 O=Cc1ccc(cc1)N1Cc2ccccc2C1
BDBM75127 CC(C)(C)CN1CCC(CC1)Oc1cccc(c1)C(=O)NCC=C
BDBM75128 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1ccccc1C(C)C |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
BDBM75191 COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc(OC)c(OC)c3)c2oc1=O
BDBM75192 CCc1ccc(CNc2ccc3n(CC)cnc3c2)cc1
BDBM75193 CC(C)(C)n1cnc2cc(NCc3ccc(Br)cc3)ccc12
BDBM75194 CCCn1cnc2cc(NCc3ccc(Br)cc3)ccc12
BDBM75195 Cc1c(CC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12
BDBM74759 O=c1c2ccccc2[nH]c2ccccc12
BDBM74859 O=C(Cn1nnc2ccccc12)NN=Cc1cccs1
BDBM74869 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c(c2)[N+]([O-])=O)cc1
BDBM74870 NS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
BDBM74871 COc1ccc2cc(CCN3C(=O)c4ccccc4C3=O)c(=O)[nH]c2c1
BDBM74895 CC(C)NC(=O)C1CC=CCC1C(O)=O |c:8|
BDBM74896 COc1ccc(cc1)-c1c(C)sc(NC(=O)c2ccnn2C)c1C#N
BDBM74969 COC(=O)c1cc2n(C)ccc2n1C
BDBM74970 C(CN1CNC(Nc2nc3ccccc3s2)=NC1)N1CCOCC1 |c:17|
BDBM74971 COc1ccc(CCn2c(C)nc3ccccc3c2=O)cc1OC
BDBM74972 O=C(Nc1ccccc1)C(=C/c1ccc(o1)N1CCOCC1)\C#N
BDBM75010 COC(=O)c1ccc2nc(NC(=O)C(C)(C)C)sc2c1
BDBM75011 Cn1c(NNC(=O)c2cccc3ccccc23)cc(=O)n(C)c1=O
BDBM75012 CCC1CCCCN1C(=O)COc1cccc2C(=O)N(C)CCc12
BDBM75091 Cc1ccc(cc1C)-n1c(O)c(C=NN2CCCCCC2)c(=O)[nH]c1=O |w:13.14|
BDBM75092 Nc1ccccc1C(=O)NNc1c2ccccc2nc2ccccc12
BDBM75093 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNc1c2ccccc2nc2ccccc12 |TLB:5:3:11:6.9.8,8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2,2:1:9:3.12.5|
BDBM75094 O=C(NC1CCCCC1)C(=C\c1ccc(o1)N1CCOCC1)\C#N
BDBM75095 Cc1cccc(c1)N1C(=S)S\C(=C/c2cccnc2)C1=O
BDBM75129 COc1cc2CCN(Cc3ccccc3)Cc2cc1OC
BDBM75130 CC1(C)CCC(=O)C=C1Nc1ccc(F)c(Cl)c1 |c:7|
BDBM75131 COc1ccccc1\C=C\c1nc(C#N)c(o1)N(C)C
BDBM75132 Cc1ccc(cc1[N+]([O-])=O)\N=C\c1cc2OCOc2cc1[N+]([O-])=O
BDBM75133 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)NCCc1ccc(F)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
BDBM75134 COc1cc(CN2CCN(Cc3c[nH]c4ccccc34)CC2CCO)cc(OC)c1
BDBM75135 COCCOC(=O)C1C(NC(=O)N=C1C)c1cccc2ccccc12 |c:12|
BDBM75136 CCCCOc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1
BDBM75137 COc1cc(ccc1OCC#C)C1C2=C(CC(C)(C)CC2=O)N(CC(O)=O)C2=C1C(=O)CC(C)(C)C2 |c:29,t:14|
BDBM75138 CCC(CC)COC(=O)C1C(NC(=O)N=C1C)c1ccc(cc1)N(C)C |c:14|
BDBM75196 Cn1c2ccccc2c(=O)c2ccc(F)cc12
BDBM75197 Oc1ccc2cc(C(=O)c3ccc(F)cc3)c(=O)oc2c1
BDBM75281 Cc1c(O)ccc2c(C)c(CCC(=O)NC3CC3)c(=O)oc12
BDBM75282 COc1ccc(cc1)N1CCN(CC1)c1ncnc2scc(-c3ccc(OC)cc3)c12
BDBM75283 Cc1c(O)ccc2c(C)c(CCC(=O)NCCCN3CCCC3=O)c(=O)oc12
BDBM74760 CCC(=O)N(C)\C=C1/Sc2ccccc2C1=O
BDBM74761 CCOc1ccc(cc1)N=Cc1c(O)n(-c2cccc(C)n2)c(=O)c2ccccc12 |w:9.9|
BDBM74762 Cc1ccc(cc1C)-n1c(O)c(C=Nc2ccc3OCOc3c2)c2ccccc2c1=O |w:13.14|
BDBM74763 Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1N=Cc1ccco1
BDBM74764 CC(NCCc1ccccc1)=C1C(=O)NC(=O)N(CC=C)C1=O |w:1.0|
BDBM74804 CC(=O)CC(=O)c1c(C)[nH]n(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O
BDBM74805 COc1cccc(c1)-c1cc(n2ncc(c2n1)S(=O)(=O)c1ccccc1)C(F)(F)F
BDBM74806 CCOC(=O)C(=C/c1ccc(cc1)N1CCN(C)CC1)\C#N
BDBM74807 NC(=O)c1ccccc1NC(=O)\C=C\c1ccc(Cl)cc1
BDBM74808 CCOc1ccc2nc(SCC(=O)NCc3ccc4OCOc4c3)[nH]c2c1
BDBM74809 CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc32)sc2CN(C)CCc12
BDBM74810 Oc1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |w:7.7|
BDBM74811 COc1ccc(cc1)C(=O)CC(C)=NCc1ccc2OCOc2c1 |w:13.14|
BDBM74812 CCOc1ccccc1NC1=CC(=O)CC(C1)c1ccccc1 |t:11|
BDBM74813 Cc1cccc(Oc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1C
BDBM74814 COc1ccc(cc1)C(=O)\C=C/c1ccc(NC(=O)c2cccs2)cc1
BDBM74815 Cc1ccc(\C=C\C(=O)Nc2cccc3ncccc23)o1
BDBM74816 CCc1ccccc1NC(=O)C(=C/c1ccc(Sc2ccccc2)o1)\C#N
BDBM74826 [O-][N+](=O)c1ccc(NC(=O)\C=C\c2cccs2)cc1
BDBM74897 COc1ccc(cc1COc1ccc(F)cc1)C1NCCc2c1[nH]c1ccccc21
BDBM74898 CCN(CC)c1ccc(C=NNC(=O)c2c(Cl)cnn2C)c(O)c1 |w:10.10|
BDBM74934 CNC(=S)Nc1ccc(cc1)C(N)=O
BDBM74935 Clc1ccc(NC2=CC(=O)CC(C2)c2ccco2)c(Cl)c1 |t:6|
BDBM74936 Oc1c(C=Nc2ccccc2)sc2ccccc12 |w:4.4|
BDBM74937 COCCN1C=C(C(C(=C1)C(=O)OC)c1ccc(Cl)cc1)C(=O)OC |c:5,8|
BDBM74938 COc1ccc(\C=C2/SC(=S)N(CC(=O)OCC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1
BDBM74939 CC(C)(C)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
BDBM74940 O=C(Cc1ccccc1)NNc1c2ccccc2nc2ccccc12
BDBM74941 Cn1c(SCc2ccccc2F)nnc1-c1ccccn1
BDBM74942 CC(C)CN(CC(C)C)Cc1c(O)ccc2ccccc12
BDBM74943 Cc1cc(CNC(=O)COc2ccc(F)cc2)c2ccccc2n1
BDBM74944 Cc1cccc(N2CCN(CC2)C(=O)C2COc3ccccc3O2)c1C
BDBM74945 Cc1c(NC2=CC(=O)CCC2)c(=O)n(-c2ccccc2)n1C |t:4|
BDBM74946 O=C(NC1CCCCCC1)C(=S)NCCc1ccccc1
BDBM74947 CC1CN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC(C)O1
BDBM74973 Nc1nc2CCCc2c(-c2ccccc2)c1C#N
BDBM74974 Clc1ccc(cc1)-c1ncc2ccccn12
BDBM75013 Cn1c(SCc2cccc(c2)[N+]([O-])=O)nc2CCSc2c1=O
BDBM75014 Fc1ccc(cc1)C1CC(=NN1C(=O)CSC1=NN2CCCC(=O)N=C2S1)c1ccc(Br)cc1 |c:10,26,t:18|
BDBM75198 CCc1ccc(cc1)C(=O)c1cc2ccc(O)cc2oc1=O
BDBM75199 Oc1ccc2cc(C(=O)c3ccc(Br)cc3)c(=O)oc2c1
BDBM75200 COC(=O)C1=CN(Cc2ccccc2)C=C(C1c1cc(F)ccc1F)C(=O)OC |c:15,t:4|
BDBM75320 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3OCOc3c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O
BDBM75321 C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(C)(=O)=O)cc2C1=O
BDBM74765 COc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1
BDBM74766 COc1ccc(CNc2ccc3n(cnc3c2)-c2ccccc2OC)cc1
BDBM74767 CCN1CCc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C1
BDBM74768 CN1CCc2nc(NC(=O)c3cccc(OC(F)F)c3)sc2C1
BDBM74769 NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1CC=C
BDBM74770 CCc1nnc(NC(=O)c2c(C)nn(c2Cl)-c2ccccc2)s1
BDBM74771 CCOC(=O)CSc1nnc(CSc2nc3sc4CCCCc4c3c(=O)[nH]2)n1-c1ccccc1
BDBM74772 Cc1sc2nc(COC(=O)Cc3ccccc3)[nH]c(=O)c2c1C
BDBM74795 Cc1ccc(s1)-c1c2CCCCc2nc(N)c1C#N
BDBM74899 [O-][N+](=O)c1cc(C#N)c(cc1NCC1CCCO1)C#N
BDBM74900 COc1ccc2cc(C(C)=O)c(=O)oc2c1
BDBM74901 CC1(C)CC(=O)C=C(C1)NNC(=O)Cc1ccccc1 |c:6|
BDBM74975 CC1(C)CC(=O)C=C(C1)NNC(=O)C1CC11CCC1 |c:6|
BDBM74976 COc1ccc(cc1)C(=O)Cn1ccc(=[NH2+])c(C)c1C
BDBM74977 Cc1cccc2cc(C#N)c(NCCNC(=O)COc3ccccc3)nc12
BDBM75015 O=c1oc2ccc3ccccc3c2cc1C#N
BDBM75016 COc1ccc2cc(C#N)c(nc2c1)N1CCN(CC1)C(=O)c1ccccc1C
BDBM75096 CC(C)NC(=O)C(=C\c1ccc(o1)N(C)C)\C#N
BDBM75097 COc1ccc(Oc2nc3c(C)cccn3c(=O)c2\C=C(/C#N)C(N)=O)cc1
BDBM75098 CCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cccc(C)c3nc12
BDBM75099 CCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
BDBM75201 COc1ccc(Cl)cc1S(=O)(=O)Nc1noc2ccccc12
BDBM75202 CC(C)(C)Nc1c2ccccc2nc2ccccc12
BDBM75203 COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1
BDBM74830 CCCOc1ccc(Cn2ccnc2)cc1[N+]([O-])=O
BDBM74874 Clc1cncc(Cl)c1NNc1c2ccccc2nc2ccccc12
BDBM74875 Cc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)-n2c(O)ccc2O)s1
BDBM74902 CC1(C=CCN1C(=O)c1ccccc1)C(O)=O |c:2|
BDBM74903 Cc1cccc(c1)C1=NN([C@H]([C@@H]1c1ccc(F)cc1)C(=O)N1CCOC1=O)c1ccc(Br)cc1 |t:8|
BDBM74904 CCSc1nnc(-c2cc(Br)ccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[nH]1 |w:14.14|
BDBM74905 COC(=O)C1=CN(Cc2cccs2)C=C(C1c1ccc(OC)cc1OC)C(=O)OC |c:14,t:4|
BDBM74906 Cc1cc(Cl)ccc1C(=O)C1CCCN(C1)C(=O)c1[nH]nc2CCCCc12
BDBM74907 O=C(Cc1ccsc1)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
BDBM74908 Cc1cc(no1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1c(F)cccc1Cl
BDBM74909 Cc1ccccc1NC(=O)C(=C/c1cn(CC(O)=O)c2ccccc12)\C#N
BDBM74910 COc1ccc(cc1NC(=O)CSc1ncccn1)[N+]([O-])=O
BDBM74978 S=c1[nH]c2ccc3ccccc3c2[nH]1
BDBM74979 OCCNc1c2ccccc2nc2ccccc12
BDBM74980 Clc1ccc(\C=C\c2ncc3ccccn23)cc1
BDBM75017 CON=Cc1cc(cn1C)C(=O)c1ccc(Cl)cc1Cl
BDBM75018 Cc1[nH]c2ccccc2c1\C=C\c1nc2ccccc2c(=O)n1CCO
BDBM75019 CN(C)\C=C\C(=O)\C=C\c1ccc(Cl)cc1
BDBM75100 Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCCN1CCOCC1
BDBM75102 COc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1OC
BDBM75103 CC1CCCCN1Cc1c(O)ccc2c1occ(-c1nc3ccccc3s1)c2=O
BDBM75104 COc1cc(cc(OC)c1OC)C(=O)N1CCCN(CC1)c1nc2cc(C)ccc2cc1C#N
BDBM75105 COCCN1C=C(C(C(=C1)C(=O)OC)c1cc(Br)c(OC)c(OC)c1)C(=O)OC |c:5,8|
BDBM75106 OS(=O)(=O)CCCN1C(Sc2ccccc12)=C1SC(S)=NC1=O |w:8.8,c:21|
BDBM75107 CN(C)S(=O)(=O)c1cccc(NC(=O)CNC2CCCCC2)c1
BDBM75108 CCn1c2ccccc2c2cc(NC(=O)CNC)ccc12
BDBM75140 CCOC(=O)c1sc(N=NCc2cc(Br)c(O)c(OC)c2)nc1C |w:8.7|
BDBM75141 COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1ccc(F)cc1)C(=O)OC |c:19,t:4|
BDBM75142 COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C1c1ccc(O)c(OC)c1)C(=O)OC |c:17,t:4|
BDBM75143 Oc1ccc(Br)cc1C=Nn1c(n[nH]c1=S)-c1ccccc1 |w:9.10|
BDBM75144 COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1cccc(O)c1)C(=O)OC |c:19,t:4|
BDBM75145 COC(=O)C1=CN(C=C(C1c1cccc(F)c1)C(=O)OC)c1ccc(OC)cc1 |c:7,t:4|
BDBM75146 COC(=O)C1=CN(Cc2ccccc2)C=C(C1c1ccc(O)c(OC)c1)C(=O)OC |c:15,t:4|
BDBM75147 OC(=O)c1cccc(Nc2c3ccccc3nc3ccccc23)c1
BDBM75204 OC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
BDBM75205 Fc1ccccc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1
BDBM75206 Oc1cccc(Nc2c3ccccc3nc3ccccc23)c1
BDBM74912 NNC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1cccs1
BDBM74913 CCOC(=O)C1(CC2CCCCO2)CCN(CC1)C(=O)Nc1ccc2OCOc2c1
BDBM74981 CC(NCc1cccs1)C(=O)NC1CCCCC1
BDBM74982 COC(=O)C1=CN(CC2CCCO2)C=C(C1c1cccc(O)c1)C(=O)OC |c:14,t:4|
BDBM74983 Cc1c(cnn1C)S(=O)(=O)N1CCCC(C1)C(O)=O
BDBM75020 Cc1sc2ncnc(NCc3cccnc3)c2c1C
BDBM75021 COC(=O)c1cc([nH]n1)C(=O)OC
BDBM75022 CCOC(=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC
BDBM75023 [O-][N+](=O)c1cc(CN2CCCC2)ccc1Sc1ccc(Cl)cc1
BDBM75061 NC(=S)Cc1nc(cs1)-c1ccc(Cl)cc1
BDBM75062 OC(=O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1
BDBM75063 COc1ccc(cc1)C(CNC(=O)c1cc(F)c(F)c(F)c1F)N1CCOCC1
BDBM75101 COc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
BDBM75139 CN1CCCN(Cc2cccc3ccccc23)CC1
BDBM75207 CCOCCCNC(=O)c1cc(nc2ccccc12)-c1ccc(Br)s1
BDBM75208 N(c1cccnc1)c1c2ccccc2nc2ccccc12
BDBM75209 Oc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1
BDBM74802 CC(CC(=O)C(F)(F)F)=Nc1ccc(cc1)C(F)(F)F |w:9.9|
BDBM74803 Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(O)=O
BDBM74818 Cc1cccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)c1
BDBM74819 COc1cc(NCc2cc(Br)c(OCC=C)c(OC)c2)ccc1NC(=O)C(C)C
BDBM74820 Cc1c(C=NNC(=O)C2COc3ccccc3O2)c2ccccc2n1C |w:4.4|
BDBM74821 CCOC(=O)c1ccc(CNC(=O)CSc2nnc(o2)-c2ccncc2)cc1
BDBM74822 Cc1cccc(Oc2nc3ccccn3c(=O)c2\C=C(/C#N)C(=O)NC2CCS(=O)(=O)C2)c1
BDBM74823 CCCC(=O)NNc1c2ccccc2nc2ccccc12
BDBM74824 COc1ccc(cc1)N1C2=C(C(c3cn(C)nc3C)C3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2 |c:10,21|
BDBM74825 O=C(Nc1ccccc1C#N)C1CN(C(=O)C1)c1ccc2CCc3cccc1c23
BDBM74984 COc1ccc(cc1S(=O)(=O)N(C)C)C(O)=O
BDBM74985 OCCNc1nc(nc2ccccc12)-c1ccccc1
BDBM74986 CCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCC1
BDBM74987 O=c1n2CCCCCc2nc2ccc(NC(=S)N3CCC(CC3)N3CCCCC3)cc12
BDBM74988 CC(=O)c1c(C)n(CC=C)c(=S)nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1
BDBM74989 Cc1sc2ncn(CC(=O)NCCCC(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c(=O)c2c1C
BDBM74990 CCN(C(=O)c1ccc(Cl)cc1[N+]([O-])=O)c1ccccc1C
BDBM75024 CCCn1cc(O)c(C#N)c1O
BDBM75025 CSc1nc(-c2ccc(cc2)N(C)C)c(C#N)c(=O)n1C
BDBM75026 COc1ccc(cc1CN1CCN(CC1)c1ccc(F)cc1)C1NC(Cc2c1[nH]c1ccccc21)C(O)=O
BDBM75027 CC(C)SCC(=O)Nc1ncc2CCc3ccccc3-c2n1
BDBM75028 Clc1ccc(cc1)C(=O)Nc1ccnc(n1)-c1ccncc1
BDBM75064 COC(=O)C1C(C(=O)OC(C)C(=O)c2ccccc2)C(C(=O)OC)=C(C)N=C1C |c:27,t:24|
BDBM75065 CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1O
BDBM75066 Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1CC(F)(F)F
BDBM75149 Cc1ccc(Cl)cc1-n1c(O)cc(Sc2ncccn2)c1O |(3.12,-3.15,;4.46,-3.92,;4.46,-5.46,;5.79,-6.23,;7.12,-5.46,;8.46,-6.23,;7.12,-3.92,;5.79,-3.15,;5.79,-1.61,;4.54,-.7,;3.08,-1.18,;5.02,.76,;6.56,.76,;7.47,2.01,;6.84,3.41,;7.74,4.66,;7.12,6.07,;5.59,6.23,;4.68,4.98,;5.31,3.58,;7.04,-.7,;8.5,-1.18,)|
BDBM75210 CCOC(=O)CC(N=Nc1ncnc2ccccc12)c1ccccc1 |w:8.8|
BDBM75211 COc1cc2CCN(CC(O)c3ccccc3)Cc2cc1OC
BDBM75212 Cn1c2ncn(CCOc3ccc(F)cc3)c2c(=O)n(C)c1=O
BDBM75280 COc1ccccc1CNC(=O)Cn1ccsc1=N
BDBM74775 Fc1ccccc1Nc1ncccc1C(=O)OCC(=O)NCCN1C(=O)CSC1=O
BDBM74776 CCCCCN(C(=O)CN(C)Cc1ccc(OC)cc1OC)c1c(N)n(CCCC)c(=O)[nH]c1=O
BDBM74777 CCOc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OCC)cc1NC(=O)C(C)C
BDBM74778 Oc1ccc2c(CN3CCN(CC3)S(=O)(=O)c3ccc4OCCOc4c3)cc(=O)oc2c1
BDBM74779 CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)NC(c1ccccc1)c1ccccc1
BDBM74780 COc1cc2c(cc1NC(=S)Nc1cccc3ccccc13)oc1ccccc21
BDBM74781 CCn1ncc(\C=C2/CCC\C(=C/c3cnn(CC)c3C)C2=O)c1C
BDBM74782 CC(C)(C)c1cc(C=NNC(=O)Cc2nc3ccccc3[nH]2)cc(c1O)C(C)(C)C |w:8.8|
BDBM74827 O=C1NC(=O)\C(=C\N2CCCc3ccccc23)C(=O)N1Cc1ccccc1
BDBM74828 Cc1sc(NC(=O)c2ccccc2)c(C#N)c1-c1ccccc1
BDBM74829 O=C(N1CCOCC1)C(=C/c1ccc(o1)N1CCOCC1)\C#N
BDBM74837 Clc1ccc2sc3ccccc3c(=O)c2c1
BDBM74838 CC1CCc2c(C1)sc(NC(=O)CCCn1nc(c(Cl)c1C)[N+]([O-])=O)c2C(N)=O
BDBM74839 CC(=O)Nc1cccc(c1)C(=O)NN=Cc1ccc(F)cc1
BDBM75031 CN1c2ccsc2C(=O)C(C(=O)Nc2c(C)cccc2C)S1(=O)=O
BDBM75067 Oc1cnnc2ccccc12
BDBM75068 CCN1CCc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2C1
BDBM75069 Cc1ccc(cc1)S(=O)(=O)NCCN(CCNS(=O)(=O)c1ccc(C)cc1)S(C)(=O)=O
BDBM75070 CCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)\c1=N/C(=O)c1cccnc1
BDBM75071 CCc1cc2c(COC(=O)c3c(C)noc3C)cc(=O)oc2cc1O
BDBM75072 CCOCCCNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
BDBM75213 COc1cc(OC)cc(c1)C(=O)Nc1sc2CCCc2c1C(N)=O
BDBM75214 CC12OC1C1(O)CCCC1=CC2=O |c:11|
BDBM75215 CCN1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OC
BDBM74773 Nc1c(sc(NCC=C)c1C#N)C(=O)c1ccc(Br)s1
BDBM74774 COc1cc2cc(C(N)=O)c(N)nc2cc1OC
BDBM74840 CCOC(=O)c1c2CCCCc2sc1N1N(O)c2ccccc2NC1=O
BDBM74841 O=C(Nc1cccc(c1)-c1nc2ccccc2s1)c1cccs1
BDBM74842 CC(=O)c1cc2OCOc2cc1N=C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 |w:12.13|
BDBM74843 CN(Cc1ccco1)C(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(C)=O)c1
BDBM74844 CCN(CCO)C(=S)Nc1cc(ccc1C(=O)OC)C(=O)OC
BDBM74845 [H]C12CCN(CC1)c1sc(N\C=C3/C=CC(=O)C=C3O)c(C#N)c21 |c:14,18,TLB:20:23:2.3:6.5,THB:8:7:2.3:6.5|
BDBM74846 Cc1cccc(c1)-n1c(O)c(C=CC=Nc2ccccc2)c(=O)[nH]c1=O |w:14.15,11.11|
BDBM74847 CCOC(=O)C(=C\c1ccc(cc1)N1CCN(C)CC1)\C#N
BDBM74872 Cc1cc(O)ccc1NC1=CC(=O)CC(C)(C)C1 |t:10|
BDBM74873 Cc1cc(Nc2ccccc2)nc2cc(O)ccc12
BDBM74911 OCCNCc1cccc(OCc2ccccc2Cl)c1
BDBM74948 COc1ccc(NC(=O)N2CCCCCC2)cc1
BDBM74949 OC(=O)Cn1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2)c2ccccc12
BDBM75029 N(c1ccccc1)c1nc2ccccc2n2nnnc12
BDBM75030 CC1CN(CC(C)O1)c1nc(C)c(cc1C#N)C(C)=O
BDBM75109 OC(=O)COc1ccc(F)cc1Br
BDBM75110 CC(C)n1c(=O)[nH]c2Oc3ccc(Cl)cc3C(c2c1=O)[c-]1c(=O)[nH]c(=O)n(C(C)C)c1=O
BDBM75111 CCOCCCNC(=O)C(=C\c1cc(Br)c(O)c(Br)c1)\C#N
BDBM75112 C[C@@H]1[C@H]([C@@H](NC(=O)N1Cc1ccccc1)c1cccc(c1)C(F)(F)F)C(C)=O
BDBM75113 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccc(OC)cc3)C=C2C1=O |c:32,t:13,15|
BDBM75114 Cc1cc2C(C(=O)Nc2c(C)c1)=c1sc2=NCN(Cn2c1=O)c1ccccc1 |t:16|
BDBM75115 COc1ccc(cc1)-n1c(=S)[nH]c2sc3CN(C)CCc3c2c1=O
BDBM75178 C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2
BDBM75216 CCN(Cc1ccccc1)C(=O)CN1C(=O)NC(CC)(C1=O)c1ccc(F)cc1
BDBM75217 CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2CN(CC)CCc12
BDBM75218 CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2CN(CCc12)C(C)C
BDBM75219 CCN1CCc2c(C1)sc(NC(=O)C1CCCCC1)c2C(=O)OC
BDBM75220 COc1ccc(cc1OC)-c1c(C)c2ccc(O)cc2oc1=O
BDBM75221 COC(=O)c1c(NC(=O)C(C)(C)C)sc2CN(Cc3ccccc3)CCc12
BDBM75222 OC(=O)c1ccccc1CC(=O)Nc1cccc2ccccc12
BDBM75223 CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2CN(CC)CCc12
BDBM75224 Clc1ccc(cc1)C(=O)NNc1c2ccccc2nc2ccccc12
BDBM75225 Cc1ccc(O)c(Nc2c3ccccc3nc3ccccc23)c1
BDBM75284 C[C@H](O)c1[nH]c2cc(F)ccc2c1[C@H](C)O
BDBM75285 COc1ccccc1C#Cc1ccc2c(c1)n(C)c1ccccc1c2=O
BDBM74784 COc1cc(OC)cc(c1)-c1cc2nc(C)cc(N3CCN(CC3)C(=O)c3ccco3)n2n1
BDBM74785 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NN1CC(=O)N(CC1=O)c1ccccc1F
BDBM74831 COC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC2)C(=S)Nc2ccccc2OC)cc1
BDBM74832 N=C1OC2=C(CCc3ccccc23)C(C1C#N)c1ccccc1 |t:3|
BDBM74833 Cc1cccc(C=Nc2sc3CN(Cc4ccccc4)CCc3c2C#N)c1O |w:7.7|
BDBM74834 COc1c([c-](\C=C(/C#N)c2[nH]c3ccccc3[nH+]2)ccc1=O)[N+]([O-])=O
BDBM74835 Cc1ccc2cc(CN(CC3CCCO3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C
BDBM74836 COc1ccccc1-c1c2CCc3ccccc3-c2nc(N)c1C#N |(3.16,-2.82,;4.49,-2.04,;5.83,-2.79,;5.85,-4.33,;7.19,-5.08,;8.51,-4.3,;8.5,-2.76,;7.15,-2.01,;7.14,-.47,;8.51,.36,;9.85,-.41,;11.18,.36,;11.18,1.9,;12.58,2.68,;12.59,4.28,;11.21,5.08,;9.82,4.27,;9.85,2.67,;8.51,1.9,;7.14,2.72,;5.74,1.93,;4.41,2.71,;5.74,.33,;4.41,-.45,;3.08,-1.22,)|
BDBM74876 CCCc1c2ccccc2nc2ccccc12
BDBM74877 CN(CCc1ccccn1)C(=S)Nc1cc(C)ccc1C
BDBM74914 Fc1ccc(cc1)C(=O)\C=C\c1ccc[nH]1
BDBM74915 COc1ccccc1NC(C)=C1C(=O)CC(CC1=O)c1ccccc1 |(3.08,-4.7,;4.41,-3.93,;5.75,-4.7,;5.75,-6.24,;7.08,-7.01,;8.41,-6.24,;8.41,-4.7,;7.08,-3.93,;7.08,-2.39,;8.41,-1.62,;9.75,-2.39,;8.41,-.08,;9.75,.69,;11.08,-.08,;9.75,2.23,;8.41,3,;7.08,2.23,;7.08,.69,;5.75,-.08,;9.18,4.34,;10.72,4.34,;11.49,5.67,;10.72,7.01,;9.18,7.01,;8.41,5.67,)|
BDBM74950 [O-][N+](=O)c1ccccc1\C=C\C(=O)N1CCN(CC1)c1ccc(F)cc1
BDBM74951 C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1
BDBM74952 CC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(n1)N1CCOCC1
BDBM74953 OC(=O)c1ccccc1C(=O)Nc1ccc(Br)c2cccnc12
BDBM74991 CNc1cc(F)nc(F)n1
BDBM74992 [O-][N+](=O)c1cccc(c1)C1NC(=O)c2ccccc2O1
BDBM74993 O=C(Nc1nonc1NC(=O)c1cccs1)c1cccs1
BDBM74994 CCS(=O)(=O)c1nc(c(NCc2ccccn2)s1)S(=O)(=O)c1ccc(C)cc1
BDBM75032 CN(C)C=Nc1nc2nccc(-c3cccs3)n2n1
BDBM75033 Cn1nnnc1SCC(=O)Nc1nn(nc1C(N)=O)-c1ccccc1
BDBM75286 CN1CCN(CC1)C(=O)c1cc2c(nc3ccccn3c2=O)s1
BDBM75287 Cc1c(CC(=O)NCC(=O)N[C@H](Cc2ccccc2)C(O)=O)c(=O)oc2cc(O)ccc12
BDBM75288 COC(=O)c1ccc2c(c([nH]c2c1)C(C)(C)O)C(C)(C)O
BDBM75289 Clc1cccc(NC(=O)c2cc3c(nc4ccccn4c3=O)s2)c1
BDBM75290 COc1ccc(CNC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1
BDBM75291 CC(CC(F)(F)F)N1CCC(CC1)n1nccc1NC(=O)CCOc1ccccc1
BDBM75292 CC1Cc2cc(ccc2O1)C(=O)C1C(N(Cc2ccncc2)C(=O)C1=O)c1ccc(cc1)N(C)C
BDBM75293 Cc1c(O)ccc2c(C)c(CC(=O)N3CCN(CC3)C(=O)C3COc4ccccc4O3)c(=O)oc12
BDBM75294 COc1ccc(CCn2c3nc4c(C)cccn4c(=O)c3cc(C(=O)NCC3CCCO3)c2=N)cc1
BDBM75295 Cc1c(OCC(=O)NCc2ccncc2)ccc2c3CCCc3c(=O)oc12
BDBM75296 COc1ccc(CCNC(=O)c2cc3c(nc4ccccn4c3=O)n(C3CCCCC3)c2=N)cc1OC
BDBM75297 COc1ccc(CCNC(=O)c2cc3c(nc4ccccn4c3=O)n(CC3CCCO3)c2=N)cc1OC
BDBM75298 COc1ccc(CCNC(=O)c2cc3c(nc4ccccn4c3=O)n(CCCN3CCOCC3)c2=N)cc1OC
BDBM75299 CN(C)CCCN(C(=O)CS(=O)(=O)c1ccc(C)cc1)c1nc2ccc(C)cc2s1
BDBM75300 CN(C)CCCN(C(=O)c1ccc(Br)s1)c1nc2cc3OCCOc3cc2s1
BDBM75301 CCOC(=O)c1c(NC(=O)c2cccc(c2)-n2c(O)ccc2O)sc2CN(CC)CCc12
BDBM75302 Fc1cc(F)c2nc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)sc2c1
BDBM75303 CC(OC(=O)CNC(=O)c1cccc(F)c1)C(=O)NC1CCCCC1C
BDBM75304 Cc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)nc1
BDBM75305 CCOC(=O)c1ccccc1NC(=O)COC(=O)C(CCSC)NC(=O)COc1ccccc1
BDBM75306 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)c1ccc2[nH]c3CCCCc3c2c1
BDBM75307 Cc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N2CCCCCC2)c1C
BDBM75308 CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1cccc(C)n1
BDBM75309 CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
BDBM75310 CC(=NOCC(=O)OCC(=O)NC(=O)c1ccccc1)c1ccc2OCOc2c1
BDBM75311 CCN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1)Cc1ccccc1
BDBM75312 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O
BDBM75313 C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2c(NC(=O)c3ccc(cc3)-c3nccs3)cccc2C1=O
BDBM75314 C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2ccc(NC(=O)Nc3ccc4OCOc4c3)cc2CC1=O
BDBM75315 C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2c(C)noc2C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C1=O
BDBM75316 COC(=O)N(C)C[C@H]1OCc2cn(CCCC(=O)N(C[C@H]1C)[C@@H](C)CO)nn2
BDBM75317 C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O
BDBM74878 COc1cc2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)Cc2cc1OC
BDBM74879 CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccs2)c1
BDBM74880 COc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)N1CCCC1
BDBM74916 CCn1c(O)c(C=Nc2ccccc2)sc1=S |w:7.7|
BDBM74917 COc1cccc(NC(=O)CSc2ncc(c(=O)[nH]2)S(=O)(=O)c2ccccc2)c1
BDBM74918 Cc1ccc(cc1)C(=O)NNc1cc(O)n(c1O)-c1ccc2OCCOc2c1
BDBM74954 Cn1cc(CN=O)nc2c1nc(=O)n(-c1ccccc1)c2=O
BDBM74955 [#7]-c1c(\[#6]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)c(=O)nc2scc(-c3ccccc3)n12 |c:5,9|
BDBM74956 CCOC(=O)c1oc2c(CN3CCN(CCO)CC3)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1
BDBM74957 Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1Br
BDBM74995 CCCc1noc(n1)-c1cccc(c1)[N+]([O-])=O
BDBM74996 Cc1cccc(C)c1NC(=O)C1N(Cc2cccs2)C(=O)C[n+]2ccccc12
BDBM74997 Clc1c2CCCCc2nc2cc(ccc12)C(=O)NC1CC1
BDBM75034 CNS(=O)(=O)c1cc(OC)c(OC)cc1CC(=O)OC
BDBM75035 O=C(\C=C\c1ccc[nH]1)c1ccccc1
BDBM75036 COCCNC(=O)C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)\C#N
BDBM75073 COc1ccc(cc1)N1C(=O)CC(C#N)C1=N
BDBM75074 CSc1ccc(\C=C(\Sc2nnc(o2)-c2ccccc2)C(O)=O)cc1
BDBM75075 Cn1c2ncc(NNC(=O)c3ccc(cc3)[N+]([O-])=O)nc2c(=O)n(C)c1=O
BDBM75117 Clc1ccc(s1)C(=O)CCN1CCC(=N1)c1ccc(Cl)s1 |c:14|
BDBM75118 Cc1ccc(cc1)N1CC(=O)N(CC1=O)NC(=O)c1sc2nc(C)cc(C)c2c1N
BDBM75148 Fc1ccc2[nH]c(=O)nc(-c3ccccc3Cl)c2c1
BDBM75150 COc1c2ccccc2nc2ccccc12
BDBM74881 Fc1ccc(N=NC=CCc2ccccc2)c(F)c1 |w:5.4,8.8|
BDBM74882 CCOC(=O)C(=NNc1ccc(cc1)C(C)=O)c1csc(Nc2ccccc2)n1 |w:6.6|
BDBM74919 CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
BDBM74920 COc1ccc(OC(=O)C2CN(C(=O)C2)c2ccc(C)cc2)cc1
BDBM74958 CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccccn2)CC1
BDBM74959 COCc1ccc(CN2CCCC(CO)(Cc3ccccc3C)C2)o1
BDBM74960 OCCC1CN(Cc2cccn2-c2cccnc2)CCN1Cc1ccc(F)cc1
BDBM74961 Fc1ccc(OCc2cc(no2)C(=O)N2CCCC(C2)c2ccccc2)c(Cl)c1
BDBM74962 Oc1c(C=Nc2ccccc2)sc(=S)n1Cc1ccccc1 |w:4.4|
BDBM74963 CCN(CC)CCCNC(=S)N(Cc1cccs1)Cc1cc2cc3OCCOc3cc2[nH]c1=O
BDBM74964 CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(Cl)cc1
BDBM74965 CC(N=N)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
BDBM74966 COC(=O)C1=CN(C=C(C1c1ccc(cc1)C(F)(F)F)C(=O)OC)C1CC1 |c:7,t:4|
BDBM74998 NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(Br)s2)cc1
BDBM74999 COc1cccc(c1)C1=NOC(C1)C(=O)Nc1cc(C)on1 |t:9|
BDBM75000 COCCNc1cc(C)nc2cc(nn12)-c1ccc(C)cc1
BDBM75001 COc1cc(\C=C2\SC(=S)N(CC=C)C2=O)ccc1OC(=O)c1ccco1
BDBM75002 Clc1ccccc1-c1ccc(C=NNC(=O)c2ccccc2)o1
BDBM75003 Cc1cccc(NC(=O)c2cc3COc4cccc(C)c4-c3s2)n1
BDBM75004 CCOc1ccc(cc1)C(=O)c1cc2ccc(O)cc2oc1=O
BDBM75005 COc1ccccc1C(=O)c1cc2ccc(O)cc2oc1=O
BDBM75006 COc1ccc(cc1)C(=O)Nc1sc2CN(CCc2c1C#N)C(C)=O
BDBM75007 CCN1CCN(CC1)c1cc(=O)n(Cc2ccc(F)cc2)c(=O)[nH]1
BDBM75037 CC(=O)ON=Cc1c(Cl)n(C)c2ccccc12 |w:4.3|
BDBM75038 OC(C(=O)NNc1c2ccccc2nc2ccccc12)c1ccccc1
BDBM75039 CCCc1n(CC(O)COCc2ccccc2)c2ccccc2[n+]1C
BDBM75076 O=C(NC1=NCCS1)c1cc(nc2ccccc12)-c1cccnc1 |t:3|
BDBM75077 CNC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1
BDBM75078 CC(C)CCN(CCC(C)C)CC(O)Cn1c2ccccc2c(=O)c2ccccc12
BDBM75151 Cc1cc(C)c2nc(N3CCOCC3)c(cc2c1)C#N
BDBM75152 Cc1ccc(NC(=O)c2c(O)c3ccccc3n(CC=C)c2=O)cc1
BDBM75153 CCOc1cccc(NC(=O)C(=C/c2cn(CC(O)=O)c3ccccc23)\C#N)c1
BDBM75154 COCCNC(=S)N1CCCN(CC1)c1nc2cc(C)ccc2cc1C#N
BDBM74848 CCOC(=O)CNc1ncc(cc1C#N)[N+]([O-])=O
BDBM74849 Cc1ccc(cc1)S(=O)(=O)NC(C(=O)Oc1ccc2ccc(=O)oc2c1)c1ccccc1
BDBM74883 COc1ccccc1CNC(=O)COC(=O)Cc1ccc(Cl)cc1
BDBM74884 CN1CCN(CC1)c1ccc(cc1NC(=O)Cc1ccc(Cl)cc1)S(=O)(=O)N1CCCCC1
BDBM74885 CCOC(=O)c1c(C)c(sc1NC(=O)CN1CCCc2ccccc12)C(C)=O
BDBM74921 [O-][N+](=O)c1ccc(CNC2CCCc3ccccc23)cc1
BDBM74922 OCC1(Cc2cccc(Cl)c2)CCCN(Cc2ccc3cc(F)ccc3n2)C1
BDBM74923 CN1CCN(CC1)c1nc(=S)n(c(C)c1C(C)=O)-c1cc(C)ccc1C |(7.08,6.93,;7.08,5.39,;8.41,4.62,;8.41,3.08,;7.08,2.31,;5.75,3.08,;5.75,4.62,;7.08,.77,;8.41,,;8.41,-1.54,;9.75,-2.31,;7.08,-2.31,;5.75,-1.54,;4.41,-2.31,;5.75,,;4.41,.77,;3.08,,;4.41,2.31,;7.08,-3.85,;8.41,-4.62,;8.41,-6.16,;9.75,-6.93,;7.08,-6.93,;5.75,-6.16,;5.75,-4.62,;4.41,-3.85,)|
BDBM74924 CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CN(C(=O)C2)c2ccc(C)cc2)c1
BDBM74925 COCCNC(=O)c1cnn2c(cc(nc12)-c1ccc(C)cc1)C(F)F
BDBM74926 COc1cc(\C=C\c2[nH]c(=O)c(c(O)[nH+]2)[N+]([O-])=O)c[c-](CC=C)c1=O
BDBM74927 COc1ccc2=NC(=NNC(c3ccc(C)o3)=c2c1)c1cccnc1 |c:7,17,t:5|
BDBM74928 CC1C=CCc2c(O)n(c(O)c12)-c1ccccc1OC(=O)c1cccs1 |c:2,(4.41,5.43,;4.41,3.89,;3.08,3.12,;3.08,1.58,;4.41,.81,;5.75,1.58,;7.2,1.11,;7.68,-.36,;8.1,2.35,;7.2,3.59,;7.68,5.05,;5.75,3.12,;9.64,2.35,;10.41,3.68,;11.95,3.68,;12.72,2.35,;11.95,1.01,;10.41,1.01,;9.64,-.32,;10.41,-1.65,;11.95,-1.65,;9.64,-2.99,;10.27,-4.4,;9.13,-5.43,;7.79,-4.66,;8.11,-3.15,)|
BDBM74929 [O-][N+](=O)c1cccc(c1)-c1n[nH]c(=S)n1-c1ccc(Br)cc1
BDBM75040 COc1ccc(cc1)C(=O)NNCc1c(O)c(C)ncc1C=O
BDBM75041 COc1ccc(cc1OC)-c1cc(nc2ccc3ccccc3c12)C(O)=O
BDBM75042 CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:14|
BDBM75043 CN(C)\C=N\C(=O)c1cc(c[nH]1)C(=O)c1ccc(cc1)C(C)(C)C
BDBM75079 Oc1c(C=NN2CCCCCC2)c(=O)[nH]c(=O)n1-c1cccc2ccccc12 |w:4.4,(7.72,1.65,;9.05,.88,;9.05,-.66,;7.72,-1.43,;7.72,-2.97,;6.39,-3.74,;5.11,-2.87,;3.64,-3.33,;3.08,-4.76,;3.85,-6.09,;5.37,-6.32,;6.5,-5.28,;10.39,-1.43,;10.39,-2.97,;11.72,-.66,;11.72,.88,;13.06,1.65,;10.39,1.65,;10.39,3.19,;9.05,3.96,;9.05,5.5,;10.39,6.27,;11.72,5.5,;13.1,6.32,;14.49,5.53,;14.49,3.93,;13.1,3.14,;11.72,3.96,)|
BDBM75080 OC(=O)C(=O)C(=C/c1ccc(cc1)C#N)\c1ccc2ccccc2n1
BDBM75081 CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1cccc(c1)C(C)=O
BDBM75082 CCOC(=O)c1c2CCN(C)Cc2sc1N=Cc1ccc(C)cc1O |w:15.16|
BDBM75083 NNc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)n1C1CCCCC1
BDBM75084 CC1=NN(C(=O)c2ccccc2)C(O)(C1)c1ccc(Br)cc1 |t:1|
BDBM75085 Cc1cccn2c1nc(Oc1ccccc1)c(\C=C(/C#N)C(N)=O)c2=O
BDBM75116 COC(=O)c1cc(=O)n2c(sc3ccccc23)c1C#N
BDBM75155 CN(C)CCCNC(=S)N1CCCN(CC1)c1nc2cc(C)ccc2cc1C#N
BDBM75156 COc1ccc(cc1)C(=O)NCCNc1nc2c(C)cccc2cc1C#N
BDBM75157 COc1cc(cc(OC)c1OC)C(=O)NCCNc1nc2cc(C)ccc2cc1C#N
BDBM75158 COc1cc(cc(OC)c1OC)C(=O)C(C#N)c1nc2ccccc2[nH]1
BDBM75159 COc1ccc(NC(=O)c2cc3ccc(=O)cc3oc2NO)cc1
BDBM75160 Cc1ccc2nc(NCCNC(=O)c3ccccc3)c(cc2c1)C#N
BDBM75161 Cc1ccc2nc(N3CCN(CC3)C(=O)c3ccc(F)cc3)c(cc2c1)C#N
BDBM75162 COc1cc(OC)cc(c1)C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
BDBM75163 CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1
BDBM75164 COc1ccccc1C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
BDBM75165 Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(O)c(O)c1)C#N |w:11.13|
BDBM75166 COc1ccc(CC2NCCC3=CC(=O)CCC23)cc1O |t:11|
BDBM75167 CC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@]12C |c:18,21,t:11|
BDBM75168 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cc(=O)oc2cc(O)ccc12
BDBM75169 COC(=O)C(C)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
BDBM75170 COC(=O)Cn1c(=O)n(C)c2nc3N(CCc4ccccc4)CCCn3c2c1=O
BDBM75171 CCOC(=O)C1C(c2ccc(O)c(OC)c2)c2c(OC1=N)ccc1ccccc21
BDBM75172 COCCCNC(=O)C(=C\c1c(nc2ccccn2c1=O)N1CCN(CC1)c1ccccc1)\C#N
BDBM75173 COC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
BDBM75174 COc1ccc(CNCc2c(O)c(Cl)cc3c(C)c(C)c(=O)oc23)c(OC)c1
BDBM75175 CCCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc12
BDBM75176 CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
BDBM75177 CCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1
BDBM74638 CCCNS(=O)(=O)c1ccc2N(CCCc2c1)C(C)=O
BDBM74674 CC(=O)N1CCc2c(C1)sc(NC(=O)c1ccc3OCCOc3c1)c2C#N
BDBM74675 CN1CCN(CC1)c1cc(=O)n(-c2ccc(Cl)cc2)c(=O)[nH]1
BDBM74676 CCOC(=O)c1ccc(NC(=O)CSc2nc(C)nc3n(C)c(=O)n(C)c(=O)c23)cc1
BDBM74712 CCNc1nnc(CSc2nc3ccccc3s2)s1
BDBM74713 CC1(C)CC(=O)C=C(C1)NNC(=O)C1CCCCC1 |c:6|
BDBM74714 CCOC(=O)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)cc1
BDBM74554 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccco1)N2CC(=O)Nc1ccccc1C(F)(F)F
BDBM74555 CN(C)CCNc1cc(C)nc2cc(nn12)-c1cccs1
BDBM74556 Fc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)o1
BDBM74557 Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)NC1CCCCC1
BDBM74558 COC(=O)c1c(C)nc2CCCC(O)c2c1-c1cccc(C)n1
BDBM74559 O=C(Nc1cnc2ccccc2c1)c1cccc(c1)-n1cnnn1
BDBM74560 COCCNC(=O)C(C)OC(=O)c1cc2occc2n1C
BDBM74677 Cn1c(=O)cc([nH]c1=O)N1CCCCC1
BDBM74715 CCc1nc(N)c(C#N)c(c1C)-c1ccc(F)cc1
BDBM74716 COc1ccc(cc1)-n1cnc2cc(NCc3ccco3)ccc12
BDBM74717 CSc1nsc(CC=Nc2ccc(C)cc2)c1C#N |w:8.8|
BDBM74603 CCCC1C(C#N)C(=N)Oc2cc(C)n(C)c(=O)c12
BDBM74678 CCCSc1nnc(-c2c[nH]c3ccccc23)n1CC
BDBM74679 CN1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)c2C(N)=O
BDBM74718 CC(C)N=Nc1nnc(Cl)c2ccccc12 |w:4.4|
BDBM74719 O=C(Cc1c2ccccc2nc2ccccc12)c1ccccc1
BDBM74720 COc1ccc(cc1OC)-n1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc12
BDBM74604 Cc1cc2OC(=N)C(C#N)C(c3ccco3)c2c(=O)n1CC1CCCO1
BDBM74605 Cc1ccc(cc1)N1C(=O)NC(=O)C2(Cc3ccccc3N3CCCC23)C1=O
BDBM74606 CCOC(=O)\C=C1/SCC(=O)N1CC(=O)c1ccc[nH]1
BDBM74643 COc1ccccc1S(=O)Cc1ccc(o1)C(O)=O
BDBM74680 O=C(CSCC(=O)Nc1ccccc1)NC1CC1
BDBM74681 COC(=O)Nc1ccc(NC(C)=O)cc1
BDBM74682 CC(C)C1N(OC2=C1C(=O)CC(C)(C)C2)c1ccccc1 |c:6|
BDBM74683 COc1ccc(OC)c(c1)N(CC(O)=O)S(=O)(=O)c1ccc(OC)c(OC)c1
BDBM74721 COC(=O)c1c(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)sc2CN(C)CCc12
BDBM74722 O=C(Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCCCC1)c1cccnc1
BDBM74723 CCOc1ccc(cc1)-n1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc12
BDBM74724 CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
BDBM74725 CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCCCN3CCOCC3)c(C)c2c1
BDBM74726 COc1cccc(NC(=O)Nc2ccc3SCC(=O)N(C)c3c2)c1
BDBM74727 CCOC(=O)C1C(O)c2c(CC1c1ccc(OC)cc1)nc(C)c(C(=O)OCC)c2-c1ccccn1
BDBM74728 Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NCc1ccco1
BDBM74729 O=C(c1ccco1)c1cc2c(ccc3ccccc23)oc1=O
BDBM74730 COC(=O)c1cccnc1NC(=S)NNC(=O)c1ccccc1
BDBM74731 CCOC(=O)C1C(O)c2c(CC1c1ccccc1OC)nc(C)c(C(=O)OCC)c2-c1ccccn1
BDBM74732 COC(=O)c1ccc2c(c1)nc(SCC(=O)C(C)(C)C)n(CCN1CCOCC1)c2=O
BDBM74733 COc1ccc(OCCSc2nnc(C(CO)NC(=O)c3ccc(OC)cc3)n2CC=C)cc1
BDBM74734 COc1ccc(CCNc2nc3ccccc3n3nnnc23)cc1OC
BDBM74544 Cc1ccc2cc(C#N)c(nc2c1C)N1CCCC1
BDBM74607 O=C(Cc1nc2ccccc2[nH]1)NCc1ccco1
BDBM74646 Cc1ccc(Nc2nc(N)nc(CC#N)n2)cc1
BDBM74647 COC(=O)CSc1nc(N2CCOCC2)c2CN(C)C(C)(C)Cc2c1C#N
BDBM74684 CCc1ccc(cc1)C1C(C#N)C(=N)SC(=N)C1C#N
BDBM74648 CC(C)Oc1ccccc1C1C(C(=O)OCC2CCCO2)C(C)=NC2=C1C(=O)CC(C2)c1ccco1 |c:24,26|
BDBM74649 COc1ccccc1C1C(C(N)=O)C(C)=Nc2ncnn12 |c:15|
BDBM74650 Cc1cccc(C)c1N1CCN(CC1)S(=O)(=O)c1ccc(F)c(C)c1
BDBM74651 Cn1cnnc1SCC(=O)c1cc2ccccc2oc1=O
BDBM74652 CC(=O)Cc1nsc(NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)n1
BDBM74653 Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccco1
BDBM74685 Nc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C#N
BDBM74686 COc1ccc2c(CC#N)c[nH]c2c1
BDBM74687 CC(=O)N(c1c[nH]c2ccccc12)c1ccc(Cl)cc1
BDBM74561 Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2c1C
BDBM74562 CCC1(NC(C2C1C(=O)N(C)C2=O)c1cccc(F)c1)C(=O)OC
BDBM74563 N#Cc1cc2cc3OCOc3cc2nc1N1CCOCC1
BDBM74564 Nc1nc(CSc2nc3ccccc3s2)nc(n1)N1CCCCC1
BDBM74565 O=C(Nc1cccc(OC(=O)N2CCCCC2)c1)N1CCCCC1
BDBM74566 COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
BDBM74567 Cc1ccc2cc(C#N)c(nc2c1)N1CCCN(CC1)C(=O)C1CCCO1
BDBM74608 CN1CCCN(C(=O)Cc2c(Cl)cccc2Cl)c2nc3ccccc3nc12
BDBM74609 Clc1ccc(NC(=O)COC(=O)CSCC(=O)N2CCCCC2)cc1
BDBM74610 CSc1ncccc1C(=O)OCC(=O)c1cc2ccccc2o1
BDBM74611 Cn1c(N)c(C(=O)COC(=O)C2(CCCC2)c2ccc(F)cc2)c(=O)n(C)c1=O
BDBM74612 O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccccn1
BDBM74688 CC1(C)CC(=O)C=C(C1)Nc1ccc2[nH]c(=O)[nH]c2c1 |c:6|
BDBM74689 CCS(=O)(=O)c1ccc(s1)S(=O)(=O)CC
BDBM74690 CCOc1ccc(cc1)C1C(=CN(CCOC)C=C1C(=O)OC)C(=O)OC |c:11,18|
BDBM74691 CCOC(=O)CNC(=O)c1ccc2[nH]c3CCCCc3c2c1
BDBM74692 N=C1SC(=N)C(C#N)C(C1C#N)c1cccc(Oc2ccccc2)c1
BDBM74693 c1csc(c1)-c1nc(ncc1-c1nnnn1-c1ccccc1)-c1cccnc1
BDBM74736 Brc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCN(Cc2ccccc2)CC1
BDBM74737 Nc1nc2nc(cc(n2n1)C(F)(F)F)-c1ccc(OCc2ccccc2)cc1
BDBM74738 CCOC(=O)C1C(O)c2c(CC1c1cccc(OC)c1)nc(C)c(C(=O)OCC)c2-c1ccccn1
BDBM74739 O=C(CCN1C(=O)COc2ccccc12)N1CCCCC1
BDBM74740 Nc1nc(CSc2nnnn2-c2ccc(Cl)cc2)nc(n1)N1CCOCC1
BDBM74741 Cc1ccc(Cn2ccc(NC(=O)c3noc-4c3CCc3ccccc-43)n2)cc1
BDBM74742 COc1cc(ccc1O)-c1nc2c[nH]ccn2c1=Nc1ccc(cc1)C(C)C |w:18.21|
BDBM74743 COC(=O)c1c(O)c(=Cc2cc(C)n(c2C)-c2ccccc2C)[nH]c1=C |w:8.8,(3.08,7.29,;4.41,6.52,;4.41,4.98,;3.08,4.21,;5.75,4.21,;5.91,2.68,;4.76,1.65,;7.41,2.36,;8.04,.95,;7.14,-.3,;5.6,-.3,;5.12,-1.76,;3.66,-2.24,;6.37,-2.67,;7.61,-1.76,;9.08,-2.24,;6.37,-4.21,;7.7,-4.98,;7.7,-6.52,;6.37,-7.29,;5.03,-6.52,;5.03,-4.98,;3.7,-4.21,;8.18,3.69,;7.15,4.83,;7.47,6.34,)|
BDBM74744 Cc1cc(Cl)c(cc1OCC(=O)NC1CCCCC1)S(=O)(=O)N1CCCC1
BDBM74745 COc1cc(cc(OC)c1OC)C(=O)Nc1sc2CN(CCc2c1C#N)C(C)=O
BDBM74746 CC1CC(C)CN(C1)c1cc(=O)n(Cc2ccc(F)cc2)c(=O)[nH]1
BDBM74747 CC1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1
BDBM74748 Cc1ccc(cc1)S(=O)(=O)C(=C\c1c(nc2ccccn2c1=O)N1CCC(CC1)C(N)=O)\C#N
BDBM74749 COc1ccc(cc1)C(=O)c1cc2ccc(O)cc2oc1=O
BDBM74613 CC1(C)CNC(=O)C=C(C1)c1ccccc1 |c:7|
BDBM74614 CNC(=Nc1cc(C)nn1CCC#N)c1ccccc1 |w:3.3|
BDBM74615 CC(=N)C(C#N)C(=O)COc1ncnc2ccccc12
BDBM74616 Cc1cc(Nc2ccccc2)nn1C(=O)c1ccccc1
BDBM74553 Cc1ccc(C)c2nc(N3CCCC3)c(cc12)C#N
BDBM74617 CC1(C)CC(=O)NC=C(C1)c1ccccc1 |c:7|
BDBM74618 CCn1c(SCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)nc2ccccc2c1=O
BDBM74654 CC1(C)CC(=O)C=C(C1)Nc1ccc(cc1)S(N)(=O)=O |c:6|
BDBM74655 CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(=O)N1CCN(CC1)C(=O)c1ccco1
BDBM74656 CN1CCN(CC1)C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccccc1
BDBM74657 Cc1onc(c1C(=O)Nc1cccc2nsnc12)-c1ccccc1
BDBM74658 Cc1nn(C(=O)c2ccco2)c(C)c1CN1C(=O)c2ccccc2C1=O
BDBM74694 COc1ccc(OC)c(c1)S(=O)(=O)n1ccnc1C
BDBM74695 Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCc2ccccc12)c1nnnn1Cc1ccccc1
BDBM74696 CCOC(=O)c1c(C)oc2cc(Br)c(OCC(N)=O)cc12
BDBM74543 CCOC(=O)CNC(=O)C1CCCN(C1)c1ncccn1
BDBM74619 Nc1c(C#N)c2nc3ccccc3nc2n1CCNC(=O)Nc1ccccc1
BDBM74620 CCn1c(=O)cc([nH]c1=O)N1CCCCC1
BDBM74621 CC(C)OC(=O)c1nnn(c1CN1CCCCCC1)-c1nonc1N
BDBM74697 COc1cc(cc(OC)c1OC)C(=O)NCCCNc1nc2cc(C)cc(C)c2cc1C#N
BDBM74569 CN1Cc2c(CC1(C)C)c(C#N)c(SCc1ccccc1)nc2N1CCOCC1
BDBM74570 COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN(C)CCC2=C(C#N)C(=N)C1(C#N)C#N |t:21|
BDBM74571 Nc1c(C#N)c2nc3ccccc3nc2n1CCSc1ccccc1
BDBM74572 CCCOC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c1ccccc1OCC |c:8|
BDBM74573 CCCOC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c1ccccc1OC |c:8|
BDBM74574 O=C(C1CCCCC1)N1CC2N(CCc3ccccc23)C(=O)C1
BDBM74576 CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(=N)C(C#N)C1c1cccc(OC)c1OC |c:5|
BDBM74577 CCN1CCC2(CC1)C(C#N)C(=N)Oc1c2sc2nc(C)cc(C)c12
BDBM74578 COCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12
BDBM74579 COc1ccc(cc1)-n1cnc2cc(NCc3cccs3)ccc12
BDBM74580 CC(C)OC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
BDBM74581 COCCOC(=O)C(C#N)c1nc2ccccc2nc1N(CC=C)CC=C
BDBM74582 Cc1cc2OC(=N)C(C#N)C(Cc3ccccc3)c2c(=O)n1Cc1cccnc1
BDBM74583 COc1ccccc1C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1
BDBM74584 CCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
BDBM74585 C(Oc1ccccc1)c1nnc2sc(nn12)-c1ccco1
BDBM74586 COCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc12
BDBM74587 Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1CC1CCCO1
BDBM74588 CCc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O
BDBM74589 COCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)NCc2ccc3OCOc3c2)c1=N
BDBM74590 CC1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1
BDBM74591 CCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCc2ccc3OCOc3c2)c1=N
BDBM74592 CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCc2ccc3OCOc3c2)c1=N
BDBM74593 CCn1nc(NC(=O)c2ccncc2)c2cc3ccc(C)cc3nc12
BDBM74594 CCOC(=O)c1c(N)n(CCOC(=O)c2cccs2)c2nc3ccccc3nc12
BDBM74595 COc1ccc(CCNc2oc(nc2C#N)-c2ccco2)cc1
BDBM74596 COc1ccc(c(OC)c1)-n1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc12 |(10.86,7.22,;11.89,6.08,;11.41,4.61,;9.91,4.3,;9.43,2.83,;10.46,1.69,;11.96,2,;12.99,.86,;14.5,1.18,;12.44,3.47,;9.98,.22,;10.88,-1.02,;12.42,-1.02,;9.98,-2.26,;10.46,-3.72,;9.43,-4.87,;11.96,-4.04,;12.44,-5.5,;13.95,-5.82,;15.09,-4.79,;16.42,-5.55,;16.11,-7.06,;14.58,-7.22,;8.52,-1.79,;7.19,-2.56,;5.85,-1.79,;4.48,-2.61,;3.08,-1.82,;3.08,-.21,;4.48,.58,;5.85,-.25,;7.19,.52,;8.52,-.25,)|
BDBM74597 COc1ccc(CCn2c3nc4c(C)cccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
BDBM74598 CCC(C)OC(=O)c1c(N)n(CC=C)c2nc3ccccc3nc12
BDBM74599 CCCOC(=O)c1c(N)n(CC=C)c2nc3ccccc3nc12
BDBM74600 CCn1nc(NC(=O)c2ccccn2)c2cc3cccc(C)c3nc12
BDBM74601 COCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccc2OCOc2c1
BDBM74602 Cc1cc2OC(=N)C(C#N)C(c3cccc(Cl)c3)c2c(=O)n1C1CC1
BDBM74622 O=c1cc([nH]c(=O)n1C1CCCCC1)N1CCc2ccccc2C1
BDBM74623 Cn1c2ccccc2c(OCCCC(=O)NCc2ccccn2)cc1=O
BDBM74624 COc1cccc(c1)C(=O)c1cc2ccc(O)cc2oc1=O
BDBM74659 CCCN(CCO)Cc1cccc(Br)c1
BDBM74660 Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)no1
BDBM74661 O=C(N1CCN(CCc2ccccc2)CC1)c1cc2ccccc2oc1=O
BDBM74698 CCC(=O)NCCNc1nc2cc(C)c(C)cc2cc1C#N
BDBM74699 CCN(CC)Cc1c(CC(C)C)oc(C)c1C(O)=O
BDBM74700 Cc1c(C=O)cnn1CCC(O)=O
BDBM74701 Cc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)c1nc2cc(C)ccc2cc1C#N
BDBM74702 Cc1ccc2cc(C#N)c(nc2c1)N1CCCN(CC1)S(=O)(=O)c1ccc(F)cc1
BDBM74703 COc1cc(ccc1Cl)S(=O)(=O)NCCCN1CCOCC1
BDBM74704 Cc1ccc(NC(=O)Cn2nc(c3CCCc23)C(F)(F)F)cc1
BDBM74705 Cc1c(NC=C2C(=O)N(Cc3ccco3)C(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |w:4.3|
BDBM74735 CC(C)OCCCNC(=O)CCSc1ccc(Cl)cc1
BDBM74625 COCCOC(=O)C1=C(C)OC(=N)C(C(=O)OC)C11C(=O)Nc2ccccc12 |c:7|
BDBM74626 O=c1cc([nH]c(=O)n1C1CCCCC1)N1CCC(Cc2ccccc2)CC1
BDBM74627 Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)c1cc2ccccc2oc1=O
BDBM74628 Fc1ccccc1N1CCN(CC1)c1nc2ccccc2n2nnnc12
BDBM74629 [H]C12CCC([H])(C1)C1C2Sc2[nH]c(=O)sc2C1c1ccco1 |TLB:16:7:6:3.2,THB:9:8:6:3.2|
BDBM74630 Brc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCC2(CC1)OCCO2
BDBM74631 CCOC(=O)N1CCN(CC1)c1cc(=O)n(Cc2ccc(F)cc2)c(=O)[nH]1
BDBM74632 Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCC(=O)N1CCC(=CC1)c1ccccc1 |c:24|
BDBM74633 CC1CN(CC(C)O1)c1cc(=O)n(-c2ccccc2C)c(=O)[nH]1 |(3.08,6.16,;4.41,5.39,;4.41,3.85,;5.75,3.08,;7.08,3.85,;7.08,5.39,;8.41,6.16,;5.75,6.16,;5.75,1.54,;7.08,.77,;7.08,-.77,;8.41,-1.54,;5.75,-1.54,;5.75,-3.08,;7.08,-3.85,;7.08,-5.39,;5.75,-6.16,;4.41,-5.39,;4.41,-3.85,;3.08,-3.08,;4.41,-.77,;3.08,-1.54,;4.41,.77,)|
BDBM74634 COc1cc(NC(=O)c2cc(on2)-c2cccs2)cc(OC)c1OC
BDBM74635 Cc1ccccc1-n1c(=O)cc([nH]c1=O)N1CCC2(CC1)OCCO2 |(6.16,2.67,;5.39,1.33,;3.85,1.33,;3.08,,;3.85,-1.33,;5.39,-1.33,;6.16,,;7.7,,;8.47,1.33,;7.7,2.67,;10.01,1.33,;10.78,,;10.01,-1.33,;8.47,-1.33,;7.7,-2.67,;12.32,,;13.09,1.33,;14.63,1.33,;15.4,,;14.63,-1.33,;13.09,-1.33,;16.31,1.25,;17.77,.77,;17.77,-.77,;16.31,-1.25,)|
BDBM74636 CCOC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2ccccc2)c1C
BDBM74637 CCOC(=O)C1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1
BDBM74662 Cc1ccc(OCC(=O)N2CCCCCC2)c(C)c1
BDBM74663 CC1CCc2c(C1)c1ccc(O)c(C)c1oc2=O
BDBM74707 CC(C)OC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1cccnc1 |c:6,t:9|
BDBM74708 Clc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c(Cl)c1
BDBM74639 CCOc1ccc(NS(=O)(=O)c2ccc3N(CCc3c2)C(=O)CCC(O)=O)cc1
BDBM74640 CC1CN(CC(C)O1)c1cc(=O)n(-c2cc(Cl)ccc2C)c(=O)[nH]1 |(8.41,6.16,;7.08,5.39,;7.08,3.85,;5.75,3.08,;4.41,3.85,;4.41,5.39,;3.08,6.16,;5.75,6.16,;5.75,1.54,;7.08,.77,;7.08,-.77,;8.41,-1.54,;5.75,-1.54,;5.75,-3.08,;7.08,-3.85,;7.08,-5.39,;8.41,-6.16,;5.75,-6.16,;4.41,-5.39,;4.41,-3.85,;3.08,-3.08,;4.41,-.77,;3.08,-1.54,;4.41,.77,)|
BDBM74641 O=C(CN1CC(=O)Oc2ccccc12)NCc1ccco1
BDBM74642 Cc1ccc(cc1)N1CCN(C1c1ccccn1)c1ccc(C)cc1
BDBM74664 CCC(C)c1ccc(OCC(O)=O)cc1
BDBM74665 Cc1noc(C)c1C(=O)Nc1sc2CCCc2c1C(N)=O
BDBM74666 Clc1ccc(NC(=O)N(CCC#N)c2ccccc2)cc1
BDBM74667 CC1CCN(CCCNC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1
BDBM74668 CN(C)c1ccc(cc1)C1C2C(ON1c1ccc(Cl)cc1)C(=O)NC2=O
BDBM74706 CCOn1c2ccccc2[n+]([O-])c(-c2cccs2)c1=O
BDBM74644 CCOC(=O)N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1
BDBM74645 COC(=O)Cc1c(C)c2cc(Cl)c(OC(=O)c3ccco3)cc2oc1=O
BDBM74669 Cc1cc(NCc2ccco2)nc2cc(O)ccc12
BDBM74670 CC(=O)N1CCC(CC1)N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1
BDBM74671 Nc1nc(nc(n1)N1CCOCC1)N(c1ccccc1)c1ccccc1
BDBM74672 CCn1c(=O)cc([nH]c1=O)N1CCC2(CC1)OCCO2
BDBM74673 CC1CN(CC(C)O1)c1cc(=O)n(-c2cccc(Br)c2)c(=O)[nH]1
BDBM74709 COc1ccc(NC(=O)c2ccc3snnc3c2)cc1
BDBM74710 Cc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
BDBM74711 COc1ccc(cc1)N=Cc1nc(oc1O)-c1ccco1 |w:8.8|
BDBM74545 CCN1C(=O)C2(C(C#N)C(=N)Oc3n[nH]c(C(C)C)c23)c2ccccc12
BDBM74546 Cc1cccc2cc(C#N)c(NCCCn3ccnc3)nc12
BDBM74547 CC(C)CCNC(=O)C(N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N)c1ccco1
BDBM74548 CC(C)(C)NC(=O)C(N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N)c1ccco1
BDBM74549 Fc1cccc(NC(=O)c2ccc(cc2)S(=O)(=O)NCC2CCCO2)c1
BDBM74550 Cc1nc2ccccc2n1CC(=O)N1CC(=O)Nc2ccccc12
BDBM74551 Cc1ccc2cc(C#N)c(NCCNC(=O)C3CC3)nc2c1C
BDBM74552 Cc1ccc2nc(N3CCN(CC3)C(=O)c3cccs3)c(cc2c1)C#N
BDBM74568 CNC(=O)c1cc2c(ccc3ccccc23)oc1=N
BDBM50007423 Oc1ccc2C[C@H]3N(CC=C)CCc4cccc(c34)-c2c1O
BDBM50106200 NC(=O)c1ccc(F)cc1
BDBM50194826 Nc1nc2CCCc2c(-c2ccc(F)cc2)c1C#N
BDBM50203564 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
BDBM50247262 COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2ccccc2C)c(OC)n1
BDBM50247466 CCOC(=O)C(C#N)c1cnc2ccccc2n1
BDBM50247213 [#6]-[#6]-[#7]1-[#6](=S)-[#16]-[#6](=O)\[#6]-1=[#6]-1\[#6]=[#6](-[#6])-[#7](-[#6]-c2ccco2)-[#6](-[#6])=[#6]-1 |c:23,t:11|