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1831 SMILES Strings for ALK tyrosine kinase receptor

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM4810 Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17015 O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
BDBM17035 Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM27344 O=C1NCCc2[nH]c(cc12)-c1ccncc1
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31094 [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM31099 CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM50001733 Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
BDBM67668 Oc1ccc(Nc2nc(nc3ccccc23)-c2ccccc2O)cc1
BDBM196847 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)N1CCOCC1
BDBM196848 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2cnnc2c1C(N)=O)C(=O)NCCN1CCCCC1
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM107030 CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(F)F)n1
BDBM107031 CC(C)Oc1cc(C2CCN(C[C@@H](O)C(F)(F)F)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r|
BDBM138348 NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
BDBM107035 CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM107036 CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C2CCCCC2)n1
BDBM107037 CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C2CCC2)n1
BDBM107038 CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)[C@@H]3CCCN3)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r|
BDBM107039 CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)C3CCCN3C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM107040 CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)[C@@H]3CCCN3C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r|
BDBM107041 CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)C3CNC3)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM107042 CC(C)Oc1cc2CN(C3CCN(CC3)C(=O)C3CN(C)C3)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM107043 COc1cc2CN(C3CN(C3)C(=O)CN(C)C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM107044 COc1cc2CN(C3CN(C3)C(=O)[C@@H]3CCCN3)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r|
BDBM107045 COc1cc2CN(C3CN(C3)C(=O)[C@@H]3CCCN3C)C(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r|
BDBM107046 CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c[nH]nc2n1
BDBM107047 CC(C)Oc1cc(C2CCN(C[C@@H](O)C(F)(F)F)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c[nH]nc2n1 |r|
BDBM107048 COc1cc(C2CCN(C[C@H](O)C(F)(F)F)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c[nH]nc2n1 |r|
BDBM107049 COc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107050 CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107051 CC(C)Oc1cc(C2CCN(CC2)C(=O)Cn2cccn2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107052 CC(C)Oc1cc(C2CCN(CC2)C(=O)Cn2ccnc2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107054 CC(C)Oc1cc(C2CCN(CC2)C(=O)CN2CCOCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107055 CC(C)Oc1cc(C2CCN(CC2)C(=O)C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107056 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)n[nH]c2c1
BDBM107057 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107058 CC(C)Oc1cc(C2CCN(CC(N)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107059 CNC(=O)CN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1C
BDBM107060 CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107061 COCCN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1C
BDBM107062 COCCN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c([nH]nc3n2)-c2ccccc2)cc1C
BDBM107063 CCc1[nH]nc2nc(Nc3cc(C)c(cc3OC(C)C)C3CCN(CCOC)CC3)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12
BDBM107064 CC(C)Oc1cc(C2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107065 COc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107066 COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107067 CC(C)Oc1cc(C2CCN(CCC(N)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107068 CC(C)Oc1cc(C2CCN(CCC(=O)N3CCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107069 CC(C)Oc1cc(C2CCN(CCC(=O)N(C)C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107070 CNC(=O)CCN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1C
BDBM107071 CC(C)Oc1cc(C2CCN(C[C@@H](O)C(F)(F)F)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 |r|
BDBM107072 CC(C)Oc1cc(C2CCN(C[C@H](O)C(F)(F)F)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 |r|
BDBM107073 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2)C2CCNCC2)nc2n[nH]c(C)c12
BDBM107074 COc1cc(C2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107075 CCN1CCC(C1)c1ccc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1
BDBM107076 CC(C)Oc1cc(C2CCN(CC2)[C@H]2CCS(=O)(=O)C2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 |r|
BDBM107032 CC(C)Oc1cc(C2CCN(C[C@H](O)C(F)(F)F)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r|
BDBM107077 CC(C)Oc1cc(C2CCN(CC2)[C@@H]2CCS(=O)(=O)C2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1 |r|
BDBM107078 COc1cc(C2CCOCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107079 CC(C)Oc1cc(C2CCN(CC2)C(=O)CCN(C)C)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107080 CC(C)Oc1cc(C2CCN(CC2)C(=O)CCN2CCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
BDBM107081 CCS(=O)(=O)N1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)cc1C
BDBM107082 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1
BDBM107083 CC(C)Oc1cc(C2CCN(CC(N)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1
BDBM107084 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1
BDBM107085 CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1
BDBM107086 CC(C)Oc1cc(C2CCN(C[C@@H](O)C(F)(F)F)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1 |r|
BDBM107087 CC(C)Oc1cc(C2CCN(C[C@H](O)C(F)(F)F)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)c[nH]c2n1 |r|
BDBM107033 CC(C)Oc1cc(C2CCN(CC2)C(=O)[C@@H]2CCCN2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |r|
BDBM107097 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2[nH]nnc2n1
BDBM107098 CCN1CCC(CC1)c1cc(OC(C)C)c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3[nH]nnc3n2)cc1C
BDBM107034 CC(C)Oc1cc(C2CCN(CC2)C(=O)[C@@H]2CCCN2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(F)F)n1 |r|
BDBM107029 COc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM41575 COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
BDBM125898 Clc1cnc2Nc3cccc(COc4cccc(CNc1n2)c4)c3
BDBM125899 Clc1cnc2Nc3cccc(CCOc4cccc(CNc1n2)c4)c3
BDBM125900 Clc1cnc2Nc3cccc(c3)S(=O)(=O)Nc3cccc(CNc1n2)c3
BDBM125901 Clc1cnc2Nc3cccc(c3)C(=O)Nc3cccc(CNc1n2)c3
BDBM125902 Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3
BDBM125903 C[C@H]1Nc2nc(Nc3cccc(COc4cccc1c4)c3)ncc2Cl |r|
BDBM125904 Clc1cnc2Nc3cccc(OCCOc4cccc(CNc1n2)c4)c3
BDBM125905 Clc1cnc2Nc3cccc(COc4cccc(CCNc1n2)c4)c3
BDBM125906 Clc1cnc2Nc3cccc(CCOc4cccc(CCNc1n2)c4)c3
BDBM125907 Clc1cnc2Nc3cccc(COc4cccc(CCCNc1n2)c4)c3
BDBM125908 C[C@@H]1Nc2nc(Nc3cccc(COc4cccc1c4)c3)ncc2Cl |r|
BDBM125909 Clc1cnc2Nc3cccc(CCCOc4cccc(CCNc1n2)c4)c3
BDBM125910 Clc1cnc2Nc3cccc(CCOc4cccc(CCCNc1n2)c4)c3
BDBM125911 Clc1cnc2Nc3cccc(CCCOc4ccc(Br)c(CNc1n2)c4)c3
BDBM125912 Clc1cnc2Nc3cccc(CCCOc4ccc(c(CNc1n2)c4)-c1ccccc1)c3
BDBM125913 Clc1cnc2Nc3cccc(CCCOc4cc(Br)cc(CNc1n2)c4)c3
BDBM125914 Nc1ccc2CNc3nc(Nc4cncc(CCc1c2)c4)ncc3Cl
BDBM125915 Clc1cnc2Nc3cncc(CCc4cc(CNc1n2)ccc4NC(=O)c1ccccc1)c3
BDBM125916 Clc1cnc2Nc3cncc(CCc4cc(CNc1n2)ccc4NS(=O)(=O)c1ccccc1C#N)c3
BDBM50065308 CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
BDBM243401 COc1cc2c(CCNC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50094895 Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50131995 Oc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50181669 CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
BDBM50181670 CN1CCN(CC1)c1ccc(NC(=O)c2cc(c[nH]c2=O)-c2ccc3OCOc3c2)cc1
BDBM50181671 CN(C(=O)c1cc(c[nH]c1=O)-c1ccc2OCOc2c1)c1ccc(CN2CCN(C)CC2)cc1
BDBM50181672 CN1CCN(CCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
BDBM50181673 COc1cc(cc(OC)c1OC)-c1c[nH]c(=O)c(c1)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
BDBM50181674 COc1ccc(cn1)-c1c[nH]c(=O)c(c1)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
BDBM50181675 CN1CCN(CCCc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)cc2)CC1
BDBM50181676 CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4OCOc4c3)c(C)c2)CC1
BDBM50181677 COc1ncc(cc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)-c1ccc2OCOc2c1
BDBM50181678 CN1CCN(Cc2ccc(NC(=O)c3cc(cnc3Cl)-c3ccc4OCOc4c3)cc2)CC1
BDBM50181679 CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4sc(C)nc4c3)cc2)CC1
BDBM50181680 CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccncc3)cc2)CC1
BDBM50181681 CN1CCN(Cc2ccc(NC(=O)c3cc(cn(C)c3=O)-c3ccc4OCOc4c3)cc2)CC1
BDBM50181682 CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]c3=O)-c3ccc4nccnc4c3)cc2)CC1
BDBM50181683 COc1cc(CN2CCN(C)CC2)ccc1NC(=O)c1cc(c[nH]c1=O)-c1ccc2OCOc2c1
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50203074 CCOc1cccc2n(C)cc(C=c3c(=O)[nH][nH]\c3=c3/snnc3=C)c12 |w:12.11|
BDBM50227519 COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
BDBM50242737 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
BDBM50242740 CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50265869 COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1
BDBM50279164 CCN(C)C(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:12.12|
BDBM50294542 COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4cc(ccc34)N3CCN(C)CC3)-c12
BDBM50294543 Brc1ccc2[nH]c-3c(CCN(CC(c4ccccc4)c4ccccc4)c4nccc(I)c-34)c2c1
BDBM50294544 C[C@H](N1CCc2c([nH]c3ccc(Br)cc23)-c2c(Cl)nccc12)c1ccccc1 |r|
BDBM50294545 Oc1ccc(CCN2CCc3c([nH]c4ccc(Br)cc34)-c3c(I)ccnc23)cc1
BDBM50294546 Oc1ccc(CCN2CCc3c([nH]c4ccc(Br)cc34)-c3c(Cl)nccc23)cc1
BDBM50294547 C[C@H](N1CCc2c([nH]c3ccc(Br)cc23)-c2c(I)ccnc12)c1ccccc1 |r|
BDBM50294548 Clc1nccc2N(CCc3c[nH]c4ccccc34)CCc3c([nH]c4ccc(Br)cc34)-c12
BDBM50294549 Cc1cc(Cl)c2-c3[nH]c4ccccc4c3CCN(CCc3ccccc3)c2n1
BDBM50294550 Cc1cc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c2c(=O)[nH]1
BDBM50294551 Cc1cc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c2c(Cl)n1
BDBM50294552 COc1nc(C)cc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c12
BDBM50294553 COc1cc(C)nc2N(CCc3ccccc3)CCc3c([nH]c4ccccc34)-c12
BDBM50294554 Clc1nccc2N(CC(c3ccccc3)c3ccccc3)CCc3c([nH]c4ccc(Br)cc34)-c12
BDBM50296896 C[C@H](O)CNc1cc(nc(n1)-c1cccnc1)-c1cn(CC#N)nc1-c1cc(C)cc(O)c1 |r|
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50307506 Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
BDBM50307507 CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
BDBM50307535 CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
BDBM50307127 CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
BDBM50307129 CN(C)c1ccc(\C=C2/C(=O)Nc3cccc(C)c23)c2ccccc12
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50307140 Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(cc23)-c2cccnc2)[nH]1
BDBM50307987 CC(C)(C)C(=O)N1Cc2c(NC(=O)c3cc(F)cc(F)c3)[nH]nc2C1(C)C
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50300196 Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50307137 Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(N)cc23)[nH]1
BDBM50320203 CC(C)COC(=O)Nc1ccc(cc1)-c1cnc2c(cnn2c1N)-c1ccc(cc1)N1CCN(C)CC1
BDBM50321037 O=C(N1CCC[C@H]1CN1CCCC1)c1ccc(cc1)-c1cnc2NCC(=O)N(Cc3ccccc3)c2c1 |r|
BDBM50321038 Clc1cccc(Cl)c1CN1CCNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r|
BDBM50321039 Clc1cccc(Cl)c1CN1C(=O)CNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r|
BDBM50321040 Fc1ccc(F)c(CN2CCNc3ncc(cc23)-c2ccc(cc2)C(=O)N2CCC[C@H]2CN2CCCC2)c1 |r|
BDBM50321041 Fc1ccc(F)c(CN2C(=O)CNc3ncc(cc23)-c2ccc(cc2)C(=O)N2CCC[C@H]2CN2CCCC2)c1 |r|
BDBM50321042 CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3cc(F)ccc3F)c2c1
BDBM50321043 CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1
BDBM50321044 CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3c(Cl)cccc3C(F)(F)F)c2c1
BDBM50321045 CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3cc(Cl)ccc3Cl)c2c1
BDBM50321046 CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3c(F)ccc(F)c3Cl)c2c1
BDBM50321047 CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(c2c1)S(=O)(=O)c1cc(F)ccc1F
BDBM50321048 CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(C(=O)Cc3cc(F)ccc3F)c2c1
BDBM50321049 CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCC(Oc3c(F)ccc(F)c3Cl)c2c1
BDBM50321050 CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCC(Cc3cc(F)ccc3F)c2c1
BDBM50321051 CN1CCN(CC1)c1ccc(cn1)-c1cnc2N(C)CCN(Cc3cc(Cl)ccc3Cl)c2c1
BDBM50321052 COC1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1
BDBM50321053 FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1
BDBM50321054 FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccnc(c1)N1CCNCC1
BDBM50321055 CC(=O)N1CCN(CC1)c1cc(ccn1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1
BDBM50321056 CCOC(=O)c1ccc(cc1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1
BDBM50321057 OC(=O)c1ccc(cc1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1
BDBM50321058 FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCCCC1
BDBM50321729 O=C(CSc1nc2CCCCc2c(-c2ccsc2)c1C#N)c1ccccc1
BDBM50321738 Nc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccsc2)c1C#N
BDBM50321739 Nc1nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c(-c2ccsc2)c1C#N
BDBM50321745 Fc1ccc(CSc2nc3CCCCc3c(-c3cccs3)c2C#N)cc1
BDBM50321746 N#Cc1c(SCc2ccccc2)nc2CCCCc2c1-c1cccs1
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50326054 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
BDBM50338873 COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)ccc3C)c2N)cc1
BDBM50330261 CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1
BDBM50330262 CC(C)c1[nH]nc(c1-c1ccnc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)n1)C(F)(F)F
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50334081 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
BDBM50344198 Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1-c1ccc(NCCN)cc1
BDBM50344199 Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1-c1cccc(NCCN)c1
BDBM50344200 Cc1cc(c(\C=C2/C(=O)Nc3ccccc23)[nH]1)-c1ccc(NCCN)cc1
BDBM50344201 Cc1cc(c(\C=C2/C(=O)Nc3ccccc23)[nH]1)-c1cccc(NCCN)c1
BDBM50344202 Cc1cc(c(\C=C2/C(=O)Nc3ccc(N)cc23)[nH]1)-c1ccc(N)cc1
BDBM50344203 Cc1cc(c(\C=C2/C(=O)Nc3ccc(N)cc23)[nH]1)-c1cccc(N)c1
BDBM50344204 Cc1cc(c(\C=C2/C(=O)Nc3ccccc23)[nH]1)-c1ccc(N)cc1
BDBM50344205 Cc1cc(c(\C=C2/C(=O)Nc3ccccc23)[nH]1)-c1cccc(N)c1
BDBM50344206 CC1CN(Cc2c([nH]c3ncccc23)-c2cccs2)CC(C)O1
BDBM50344207 Oc1ccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)cc1
BDBM50344208 Oc1ccccc1-c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1
BDBM50344210 Cc1ccc(NC2=NC(=O)C(S2)=C2C(=O)Nc3ccccc23)cc1 |w:12.13,t:6|
BDBM50344211 CCOC(=O)c1ccc(Nc2nc(Nc3ccc(Cl)cc3)c3nccnc3n2)cc1
BDBM50344213 COc1cc(ccc1O)-c1nc2cc(C)ccn2c1\N=C\c1cc(Cl)ccc1O
BDBM50344214 O=C1Nc2ccccc2C1=Cc1c[nH]nc1-c1ccccc1 |w:10.12|
BDBM50343559 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCO)c4-c3n2)C(N)=O)c1
BDBM50344216 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(O)=O
BDBM50344644 CCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O
BDBM50344645 CCN(CC)CCOc1ccc2C(=O)c3c(oc4cc(OC)ccc34)C(C)(C)c2c1
BDBM50344646 CCCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O
BDBM50344647 CCN(CC)CCOc1ccc2C(=O)c3c(oc4cc(F)ccc34)C(C)(C)c2c1
BDBM50344648 CCN(CC)CCOc1ccc2C(=O)c3c(oc4cc(Br)ccc34)C(C)(C)c2c1
BDBM50344649 CCN(CC)CCOc1ccc2C(=O)c3c(oc4cc(Cl)ccc34)C(C)(C)c2c1
BDBM50344650 CCN(CC)CCOc1ccc2C(=O)c3c(oc4cc(ccc34)C(F)(F)F)C(C)(C)c2c1
BDBM50344651 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(Br)ccc34)C(C)(C)c2c1
BDBM50344652 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)[N+]([O-])=O)C(C)(C)c2c1
BDBM50344653 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(Cl)ccc34)C(C)(C)c2c1
BDBM50344654 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM50344655 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCN3CCS(=O)(=O)CC3)cc12)C#N
BDBM50344656 CC(=O)NCCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM50344657 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCNC(N)=O)cc12)C#N
BDBM50344658 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCCCC1)C#N
BDBM50344659 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCOCC1)C#N
BDBM50344660 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(O)CC1)C#N
BDBM50344661 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)S(C)(=O)=O)C#N
BDBM50344662 CC(C)N1CCN(CC1)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM50344663 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)C1COC1)C#N
BDBM50344664 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC1)C1COC1)C#N
BDBM50344212 Oc1ccc(Nc2ncnc3ccc(Br)cc23)cc1
BDBM50344215 CCc1nc(C)c(C=C2C(=O)Nc3ccccc23)[nH]1 |w:7.6|
BDBM50329427 NC(=O)c1cc([nH]c1-c1ccccc1)-c1ccnc(N)n1
BDBM50329913 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(CCF)c4-c3n2)C(N)=O)c1
BDBM50329914 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
BDBM50329915 Cn1nc(C(N)=O)c2CCc3cnc(Nc4cc(ccc4OC(F)(F)F)N4CCNCC4)nc3-c12
BDBM50329929 CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C=C)c4-c3n2)C(N)=O)c1
BDBM50335374 COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
BDBM50335376 COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|
BDBM50334593 COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)N1CCOCC1
BDBM50334594 CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl
BDBM50334595 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1)N1CCOCC1
BDBM50334596 CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)c2CCCC1=O
BDBM50334597 COCCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1
BDBM50334598 COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(F)F)CCc3cc2OC)ncc1Cl)N1CCOCC1
BDBM50334599 COc1cc2CCN(CCS(C)(=O)=O)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCOCC2)n1
BDBM50334600 COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2)N2CCOCC2)n1
BDBM50334601 COc1ccccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl
BDBM50334602 COc1cc2CCN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)C(N)=O)n1
BDBM50334603 CNC(=O)CN1CCc2cc(Nc3ncc(Cl)c(Nc4ccc(cc4OC)N4CCOCC4)n3)c(OC)cc2CC1
BDBM50334604 COCCOc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1
BDBM50334605 COc1cc(ccc1Nc1nc(Nc2cc3CCN(CC(=O)N(C)C)CCc3cc2OC)ncc1Cl)C#N
BDBM50334606 COc1ccc(Nc2nc(Nc3cc4CCN(CC(=O)N(C)C)CCc4cc3OC)ncc2Cl)c(OC)c1
BDBM50352564 C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50352760 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
BDBM50352761 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(CCC3CCCC3)c(cc12)N1CCN(CC1)C1COC1)C#N
BDBM50352762 CC(C)c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
BDBM50352763 CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
BDBM50352764 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1COC1)C#N
BDBM50352765 Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
BDBM50353039 CN(c1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12)S(C)(=O)=O
BDBM50353040 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nn12
BDBM50353041 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@H](C)O)CC1 |r|
BDBM50353042 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C[C@@H](C)O)CC1 |r|
BDBM50353043 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(CC1)N1CCOCC1
BDBM50353044 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)N3CCN(CC3)N3CCN(C)CC3)nn12
BDBM50353045 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C)CC1
BDBM50353046 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r|
BDBM50353047 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@@H](C)O)CC1 |r|
BDBM50353048 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCC(CC1)N1CCOCC1
BDBM50353049 COc1cc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc(OC)c1OC
BDBM50353050 C1CN(CCO1)c1ccc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc1
BDBM50353051 COCCN1CCc2ccc(Nc3ncc4ccc(-c5ccccc5)n4n3)cc2CC1
BDBM50353052 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12
BDBM50353053 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4C(N)=O)n3n2)cc1
BDBM50353054 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4S(C)(=O)=O)n3n2)cc1
BDBM50353055 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4NS(C)(=O)=O)n3n2)cc1
BDBM50353056 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4)n3n2)cc1
BDBM50347053 COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)c(OC)cc2CC1 |r|
BDBM50347054 COc1cc(ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1)N1CCOCC1 |r|
BDBM50347055 COc1cc(ccc1Nc1ncc(Cl)c(N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1)N1CCOCC1 |r|
BDBM50347056 COc1cc(ccc1Nc1ncc(Cl)c(N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1)N1CCOCC1 |r|
BDBM50347057 CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1 |r|
BDBM50347058 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1 |r|
BDBM50347059 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4O)n3)cc2CC1 |r|
BDBM50347060 COCCN1CCc2ccc(Nc3ncc(Cl)c(NC4CCCCC4)n3)cc2CC1
BDBM50347061 CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1 |r|
BDBM50347062 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1 |r|
BDBM50347063 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N)n3)cc2CC1 |r|
BDBM50347064 CCS(=O)(=O)N[C@@H]1CCCC[C@H]1Nc1nc(Nc2ccc3CCN(CCOC)CCc3c2)ncc1Cl |r|
BDBM50347065 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)C(C)C)n3)cc2CC1 |r|
BDBM50347066 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)CC(F)(F)F)n3)cc2CC1 |r|
BDBM50347067 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(=O)(=O)C4CC4)n3)cc2CC1 |r|
BDBM50347068 CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)N(C)C)n3)cc2CC1 |r|
BDBM50347069 CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(C)=O)n3)cc2CC1 |r|
BDBM50347070 COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N(C)S(C)(=O)=O)n3)c(OC)cc2CC1 |r|
BDBM50347071 CCN([C@@H]1CCCC[C@H]1Nc1nc(Nc2cc3CCN(CCOC)CCc3cc2OC)ncc1Cl)S(C)(=O)=O |r|
BDBM50347072 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@H]4CC[C@@H](CC4)NS(C)(=O)=O)n3)cc2CC1 |r,wU:22.25,wD:19.18,(-8.69,-7.08,;-7.88,-8.39,;-6.34,-8.35,;-5.54,-9.66,;-4,-9.62,;-3.42,-8.24,;-1.88,-7.83,;-.66,-8.77,;.66,-8,;1.99,-8.75,;2,-10.29,;3.34,-11.05,;4.67,-10.28,;4.65,-8.74,;5.99,-7.96,;7.33,-8.73,;8.66,-7.96,;7.33,-10.27,;8.66,-11.04,;10,-10.26,;11.33,-11.03,;12.66,-10.27,;12.66,-8.73,;11.32,-7.95,;9.98,-8.72,;13.99,-7.96,;15.32,-8.73,;16.66,-7.96,;16.08,-10.06,;14.55,-10.05,;6,-11.04,;.68,-11.06,;-.65,-10.31,;-1.9,-11.31,;-3.34,-10.98,)|
BDBM50347073 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@H]4CC[C@H](CC4)NS(C)(=O)=O)n3)cc2CC1 |r,wD:19.18,22.25,(-8.84,-17.23,;-8.03,-18.54,;-6.49,-18.5,;-5.69,-19.81,;-4.15,-19.77,;-3.56,-18.39,;-2.03,-17.98,;-.8,-18.93,;.51,-18.15,;1.84,-18.91,;1.85,-20.44,;3.19,-21.21,;4.52,-20.43,;4.51,-18.89,;5.84,-18.11,;7.18,-18.88,;8.51,-18.11,;7.18,-20.42,;8.52,-21.19,;9.85,-20.41,;11.18,-21.19,;12.51,-20.42,;12.51,-18.88,;11.18,-18.11,;9.84,-18.88,;13.85,-18.11,;15.18,-18.88,;16.51,-18.11,;15.94,-20.21,;14.41,-20.2,;5.86,-21.19,;.53,-21.22,;-.8,-20.46,;-2.04,-21.46,;-3.49,-21.13,)|
BDBM50347074 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCC[C@H](C4)NS(C)(=O)=O)n3)cc2CC1 |r|
BDBM50347075 COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCC[C@@H](C4)NS(C)(=O)=O)n3)cc2CC1 |r|
BDBM50346918 Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
BDBM50357884 [O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
BDBM50350423 Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12
BDBM50350424 Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12
BDBM50358916 C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1 |r|
BDBM50358243 CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@@H](O)CC[C@]12C |r|
BDBM50358244 CC(C)C\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
BDBM50358245 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
BDBM50358246 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
BDBM50358247 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
BDBM50358248 CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)C(=O)CC[C@]12C |r|
BDBM50358249 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
BDBM50358250 CC(C)CCC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@H](CCc3cc(O)ccc3C)[C@H](O)CC[C@]12C |r|
BDBM50348937 CCOC(=O)C=Cc1c(Oc2ccc(F)cc2)nc[nH]c1=O |w:6.6|
BDBM50348938 CC(=O)C=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc[nH]c1=O |w:4.4|
BDBM50348940 CCOC(=O)C=Cc1c(Oc2ccc(C)cc2)nc[nH]c1=O |w:6.6|
BDBM50348941 CCOC(=O)C=Cc1c(Oc2ccccc2Cl)nc[nH]c1=O |w:6.6|
BDBM50348944 CCOC(=O)C=Cc1c(Oc2ccc(cc2)C(C)(C)C)nc[nH]c1=O |w:6.6|
BDBM50348945 COC(=O)c1cccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)c1 |w:17.17|
BDBM50348946 COC(=O)c1cc(OC)ccc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:20.21|
BDBM50348947 CCOC(=O)C=Cc1c(Oc2ccc(OC)cc2C(=O)OC)nc[nH]c1=O |w:6.6|
BDBM50348948 COc1cccc(OC)c1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:18.19|
BDBM50348949 CCOC(=O)C=Cc1c(Oc2c(OC)cccc2OC)nc[nH]c1=O |w:6.6|
BDBM50348950 CC(=O)C=Cc1c(Oc2cccc(c2)C#N)nc[nH]c1=O |w:4.4|
BDBM50348951 CCOC(=O)C=Cc1c(Oc2cccc(c2)C#N)nc[nH]c1=O |w:6.6|
BDBM50348952 COc1cc(Cl)ccc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:17.18|
BDBM50348953 CCOC(=O)C=Cc1c(Oc2ccc(Cl)cc2OC)nc[nH]c1=O |w:6.6|
BDBM50348954 COc1cccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)c1 |w:15.15|
BDBM50348955 CCOC(=O)C=Cc1c(Oc2cccc(OC)c2)nc[nH]c1=O |w:6.6|
BDBM50348956 CC(=O)Nc1ccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)cc1 |w:16.16|
BDBM50348957 CC(=O)C=Cc1c(Oc2cccc(c2)C(C)=O)nc[nH]c1=O |w:4.4|
BDBM50348959 CC(=O)C=Cc1c(Oc2ccc(cc2)C#N)nc[nH]c1=O |w:4.4|
BDBM50348960 COc1cc(Oc2nc[nH]c(=O)c2C=CC(C)=O)c(cc1OC)C(C)=O |w:13.13|
BDBM50348961 CC(=O)C=Cc1c(Oc2ccccc2C(C)=O)nc[nH]c1=O |w:4.4|
BDBM50348962 CC(=O)C=Cc1c(Oc2ccc(C(C)=O)c(F)c2)nc[nH]c1=O |w:4.4|
BDBM50348963 COC(=O)c1ccc(OC)cc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:20.21|
BDBM50348964 CC(=O)C=Cc1c(Oc2ccc(C)cc2C(C)=O)nc[nH]c1=O |w:4.4|
BDBM50348965 CCOC(=O)c1ccccc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:19.20|
BDBM50348966 CC(=O)C=Cc1c(Oc2c(C)cc(cc2C)C(C)=O)nc[nH]c1=O |w:4.4|
BDBM50348967 CCCCCCOC(=O)c1ccccc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:23.24|
BDBM50348968 CCOC(=O)c1ccc(Oc2nc[nH]c(=O)c2C=CC(C)=O)cc1 |w:17.17|
BDBM50348969 CC(=O)C=Cc1c(Oc2cc(ccc2Cl)C(F)(F)F)nc[nH]c1=O |w:4.4|
BDBM50348970 COC(=O)c1cccc(Oc2nc[nH]c(=O)c2CCC(C)=O)c1
BDBM50348971 COC(=O)c1cccc(Oc2nc[nH]c(=O)c2C2CC(C)=NN2C(C)=O)c1 |c:21|
BDBM50348972 COC(=O)c1cccc(Oc2nc[nH]c(=O)c2C2CC(C)N=N2)c1 |c:22|
BDBM50348973 COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2ccncc2)c1
BDBM50348974 COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2cccc(N)c2)c1
BDBM50348975 COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2cccc(OC)c2)c1
BDBM50348976 COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2ccccc2)c1
BDBM50348977 COC(=O)c1cccc(Oc2nc[nH]c(=O)c2-c2cccc(C)c2)c1
BDBM50348978 CCOC(=O)C=Cc1c(Oc2cccc(c2)C(=O)OC)nc[nH]c1=O |w:6.6|
BDBM50348979 CC(=O)C=Cc1c(Oc2c(Cl)cccc2Cl)nc[nH]c1=O |w:4.4|
BDBM50348980 CCOC(=O)C=Cc1c(Oc2c(Cl)cccc2Cl)nc[nH]c1=O |w:6.6|
BDBM50348981 COC(=O)c1cc(Cl)ccc1Oc1nc[nH]c(=O)c1C=CC(C)=O |w:19.20|
BDBM50348982 COC(=O)c1cccc(Oc2nc[nH]c(=O)c2C2CC(C)=NN2C)c1 |c:21|
BDBM50359145 Cc1nc(COc2cccc3n(C)cc(C=c4c(=O)[nH][nH]\c4=c4/snnc4=C)c23)cs1 |w:15.14|
BDBM50359146 CN(C)CCOc1cccc2n(C)cc(C=c3c(=O)[nH][nH]\c3=c3/snnc3=C)c12 |w:15.14|
BDBM50359147 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3ccccc3F)cccc12 |w:4.3|
BDBM50359148 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3cccc(F)c3)cccc12 |w:4.3|
BDBM50359149 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3ccc(F)cc3)cccc12 |w:4.3|
BDBM50359150 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3c(F)cccc3F)cccc12 |w:4.3|
BDBM50359151 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3ccc(F)cc3F)cccc12 |w:4.3|
BDBM50359152 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3c(F)cccc3Cl)cccc12 |w:4.3|
BDBM50359153 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3c(F)ccc(F)c3Cl)cccc12 |w:4.3|
BDBM50359154 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3c(F)ccc(Cl)c3F)cccc12 |w:4.3|
BDBM50359155 Cn1cc(\C=C2/C(=O)NN=C2c2cccnc2)c2c(OCc3ccccc3)cccc12 |c:9|
BDBM50359156 Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3ccccc3)cccc12 |c:9|
BDBM50359157 Cn1cc(\C=C2/C(=O)NN=C2c2nc(cs2)C(F)(F)F)c2c(OCc3ccccc3)cccc12 |c:9|
BDBM50359158 CN(C)c1nnc(s1)C1=NNC(=O)\C1=C/c1cn(C)c2cccc(OCc3ccccc3)c12 |t:9|
BDBM50359159 Cn1cc(\C=C2/C(=O)NN=C2c2cccs2)c2c(OCc3ccccc3)cccc12 |c:9|
BDBM50359160 Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3ccccc3F)cccc12 |c:9|
BDBM50359161 Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3cccc(F)c3)cccc12 |c:9|
BDBM50359162 Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3ccc(F)cc3)cccc12 |c:9|
BDBM50359163 CC(Oc1cccc2n(C)cc(\C=C3/C(=O)NN=C3c3nccs3)c12)c1ccccc1 |c:17|
BDBM50359164 Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3c(F)cccc3F)cccc12 |c:9|
BDBM50359165 Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3c(F)cccc3Cl)cccc12 |c:9|
BDBM50359166 Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3cccc(F)c3F)cccc12 |c:9|
BDBM50359167 Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3cc(F)ccc3F)cccc12 |c:9|
BDBM50359168 Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3ccc(F)cc3F)cccc12 |c:9|
BDBM50359359 CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
BDBM50363167 Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
BDBM50359141 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3ccccc3)cccc12 |w:4.3|
BDBM50363239 CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1
BDBM50363240 COc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(C)CC2)ncc1Cl
BDBM50363241 Clc1cnc2Nc3cccc(CCc4cccc(Nc1n2)c4)c3
BDBM50359142 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3ccccn3)cccc12 |w:4.3|
BDBM50363242 Clc1cnc2Nc3ccc(N4CCOCC4)c(CCc4cccc(Nc1n2)c4)c3
BDBM50363243 Clc1cnc2Nc3ccc(OCCN4CCCC4)c(CCc4cccc(Nc1n2)c4)c3
BDBM50363244 CN1CCN(CC1)c1ccc2Nc3ncc(Cl)c(Nc4cccc(CCc1c2)c4)n3
BDBM50363245 COc1ccc2CCc3cccc(Nc4ncc(Cl)c(Nc1c2)n4)c3
BDBM50363246 COc1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCOCC1
BDBM50363247 COc1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
BDBM50363248 CNC(=O)c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
BDBM50363249 CC(C)S(=O)(=O)c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1
BDBM50363250 CN(c1ccc2CCc3cc(Nc4ncc(Cl)c(Nc1c2)n4)ccc3N1CCN(C)CC1)S(C)(=O)=O
BDBM50363251 COc1cc(N2CCN(C)CC2)c2CCc3cccc(Nc4nc(Nc1c2)ncc4Cl)c3
BDBM50363252 COc1cc(N2CCN(C)CC2)c2CCc3ccc(c(Nc4nc(Nc1c2)ncc4Cl)c3)S(=O)(=O)C(C)C
BDBM50363253 COc1cc(N2CCN(C)CC2)c2CCc3ccc(N(C)S(C)(=O)=O)c(Nc4nc(Nc1c2)ncc4Cl)c3
BDBM50363254 CN1CCN(CC1)c1ccc2cc1ccc1cccc(c1)[nH]c1nc(ncc1Cl)[nH]2
BDBM50363255 COc1ccc2cc1[nH]c1nc(ncc1Cl)[nH]c1ccc(N3CCN(C)CC3)c(c1)cc2
BDBM50363256 COc1cc(N2CCN(C)CC2)c2cc1[nH]c1ncc(Cl)c(n1)[nH]c1cc(ccc1N(C)S(C)(=O)=O)cc2
BDBM50359143 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3cccnc3)cccc12 |w:4.3|
BDBM50359144 Cn1cc(C=c2c(=O)[nH][nH]\c2=c2/snnc2=C)c2c(OCc3ccncc3)cccc12 |w:4.3|
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50355550 NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
BDBM50355393 CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1
BDBM50348939 CC(=O)C=Cc1c(Oc2ccc(F)cc2)nc[nH]c1=O |w:4.4|
BDBM50348942 CC(=O)C=Cc1c(Oc2ccc(C)cc2)nc[nH]c1=O |w:4.4|
BDBM50348943 CC(=O)C=Cc1c(Oc2ccccc2Cl)nc[nH]c1=O |w:4.4|
BDBM50348958 CC(=O)C=Cc1c(Oc2ccc(O)cc2)nc[nH]c1=O |w:4.4|
BDBM50361205 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(N)=O)CC1
BDBM50362778 CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
BDBM50362779 Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
BDBM50362780 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(CC1)N1CCOCC1)C#N
BDBM50362781 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
BDBM50362782 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1
BDBM50362783 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CC1
BDBM50362784 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCN(CC1)C1COC1)C#N
BDBM50362785 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCN(CC1)C1CC1)C#N
BDBM50362786 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1CCN(CC1)C1COC1)C#N
BDBM50362787 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1CCN(CC1)C1CC1)C#N
BDBM50382650 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(cc2)-c2ccccc2)cc(OC)c1OC |r|
BDBM50382651 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(c2)-c2ccccc2)cc(OC)c1OC |r|
BDBM50382652 COC(=O)c1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1 |r|
BDBM50382653 COC(=O)c1cccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)c1 |r|
BDBM50382654 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(cc2)[N+]([O-])=O)cc(OC)c1OC |r|
BDBM50382655 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(c2)[N+]([O-])=O)cc(OC)c1OC |r|
BDBM50382656 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(Cl)cc2)cc(OC)c1OC |r|
BDBM50382657 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(Cl)c2)cc(OC)c1OC |r|
BDBM50382658 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccccc2Cl)cc(OC)c1OC |r|
BDBM50382659 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC |r|
BDBM50382660 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc(OC)c1OC |r|
BDBM50382661 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(C)c2)cc(OC)c1OC |r|
BDBM50382662 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccccc2C)cc(OC)c1OC |r|
BDBM50382663 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC |r|
BDBM50382664 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC |r|
BDBM50382665 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCC(=O)c2ccccc2)cc(OC)c1OC |r|
BDBM50382666 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCCCc2ccccc2)cc(OC)c1OC |r|
BDBM50382667 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCCc2ccccc2)cc(OC)c1OC |r|
BDBM50382668 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccccc2)cc(OC)c1OC |r|
BDBM50382669 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)Nc2ccccc2)cc(OC)c1OC |r|
BDBM50382670 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc(OC)c1 |r|
BDBM50382671 Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3ccc4OCCOc4c3)n2)cc1 |r|
BDBM50381716 Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
BDBM50382636 COc1ccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc1OC |r|
BDBM50382637 CCc1ccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc1 |r|
BDBM50382638 CCc1cccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)c1 |r|
BDBM50382639 COc1ccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc1 |r|
BDBM50382640 COc1cccc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)c1 |r|
BDBM50382641 Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 |r|
BDBM50382642 Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3cccc(Cl)c3)n2)cc1 |r|
BDBM50382643 Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(NCc3ccccc3)n2)cc1 |r|
BDBM50382644 Cc1ccc(CNC(=O)[C@H]2CCCN(C2)c2ccnc(Nc3ccccc3)n2)cc1 |r|
BDBM50382645 CNc1nccc(n1)N1CCC[C@@H](C1)C(=O)NCc1ccc(C)cc1 |r|
BDBM50382646 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2ccc(C)cc2)cc(OC)c1OC |r|
BDBM50382647 COc1cc(Nc2nccc(n2)N2CCC[C@H](C2)C(=O)NCc2ccc(C)cc2)cc(OC)c1OC |r|
BDBM50382648 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(c2)N2CCOCC2)cc(OC)c1OC |r|
BDBM50382649 COc1cc(Nc2nccc(n2)N2CCC[C@@H](C2)C(=O)NCc2cccc(Oc3ccccc3)c2)cc(OC)c1OC |r|
BDBM50382959 COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
BDBM50378657 CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
BDBM50378787 O=C(N1CCC[C@H]1CN1CCCC1)c1ccc(cc1)-c1cnc2NCCN(Cc3ccccc3)c2c1 |r|
BDBM50379186 CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
BDBM50384721 FC(F)(F)c1cccc(NC(=O)Nc2cccc(Nc3ccc4\C(=C\c5ccc[nH]5)C(=O)Nc4c3)c2)c1
BDBM50384725 Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
BDBM50384726 FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
BDBM50384727 Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
BDBM50384720 CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4cc(c[nH]4)C(O)=O)C(=O)Nc3c2)c1
BDBM50389152 COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCOCC1 |r,c:27|
BDBM50389153 COCCN[C@@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1 |r,c:24|
BDBM50389154 COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
BDBM50389155 COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCN(C)CC1 |r,c:27|
BDBM50389156 COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1 |r,c:16|
BDBM50389157 COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@H](CCc12)N1CCOCC1 |r,c:16|
BDBM50389158 COCCNC1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 |r,c:23|
BDBM50389159 COCCN[C@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1 |r,c:24|
BDBM50392791 CC(C)Oc1cc(n[nH]1)-n1cnc2ccc(N[C@@H](C)c3ccc(F)cn3)nc12 |r|
BDBM50393607 COc1cc(ccc1Nc1ncc2c(O)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393608 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C1CCN1
BDBM50393609 CNC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)c(OC)c1
BDBM50393610 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCNCC1
BDBM50393611 COc1cc(ccc1Nc1ncc2ccc(-c3ccncc3OC)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393612 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C(C)(C)N
BDBM50393613 COc1cc(ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393614 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nn12
BDBM50393615 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(C[C@@H](C)O)CC1 |r|
BDBM50393616 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CCO)CC1
BDBM50393617 COc1cc(ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393618 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1 |r|
BDBM50393619 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(O)CF)CC1
BDBM50393620 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@H](O)CO)CC1 |r|
BDBM50393621 COc1cc(ccc1Nc1ncc2ccc(-c3ncccc3OC)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393622 COc1ccc(-c2ccc3cnc(Nc4ccc(cc4OC)C4CCN(CC(N)=O)CC4)nn23)c(OC)c1
BDBM50393623 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3C#N)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393624 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1
BDBM50393625 COc1cc(N2CCN(C[C@H](C)O)CC2)c(F)cc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 |r|
BDBM50393626 COc1ccc(cc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)N1CCN(C)CC1
BDBM50393627 C[C@H](O)CN1CCN(CC1)c1cc(F)c(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1F |r|
BDBM50393628 COc1c(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)ccc(N2CCN(C[C@H](C)O)CC2)c1F |r|
BDBM50393629 COc1ccc(cc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C)CC1
BDBM50385590 CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O |r,c:19|
BDBM50385591 CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O
BDBM50385592 CNC(=O)c1cccc(Nc2nc(Nc3ccc4N(C)C(=O)CCCc4c3)ncc2Cl)c1
BDBM50385593 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl
BDBM50385594 CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:18|
BDBM50385595 CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@@H]4C(N)=O)n3)cc2CCCC1=O |r|
BDBM50385596 CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4C(N)=O)n3)cc2CCCC1=O |r|
BDBM50385597 CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O
BDBM50385598 CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O
BDBM50385599 CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:21|
BDBM50385600 CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O
BDBM50385601 CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O
BDBM50385602 CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O
BDBM50396268 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C#N)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(47,-56.52,;45.5,-56.2,;45.02,-54.74,;44.47,-57.34,;42.96,-57.03,;41.94,-58.17,;42.49,-55.56,;40.98,-55.25,;40.5,-53.79,;41.53,-52.64,;43.03,-52.95,;43.51,-54.42,;41.05,-51.18,;41.95,-49.92,;43.49,-49.91,;44.25,-48.58,;43.48,-47.25,;45.79,-48.56,;46.57,-49.89,;48.1,-49.89,;48.87,-48.55,;48.08,-47.21,;46.55,-47.23,;48.83,-45.88,;49.59,-44.54,;41.03,-48.67,;39.56,-49.16,;38.23,-48.4,;36.9,-49.17,;36.9,-50.71,;35.56,-51.48,;34.23,-50.71,;34.24,-49.17,;32.91,-48.4,;31.57,-49.16,;31.57,-50.7,;32.9,-51.48,;30.24,-48.38,;29.46,-47.05,;31.01,-47.04,;28.91,-49.15,;38.23,-51.48,;39.57,-50.71,)|
BDBM50396269 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(c2)C#N)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.82,-55.64,;20.32,-55.32,;19.84,-53.86,;19.29,-56.47,;17.78,-56.15,;16.75,-57.3,;17.3,-54.69,;15.8,-54.37,;15.32,-52.91,;16.35,-51.77,;17.85,-52.07,;18.33,-53.54,;15.86,-50.31,;16.77,-49.05,;18.31,-49.04,;19.07,-47.7,;18.29,-46.37,;20.61,-47.69,;21.36,-46.35,;22.9,-46.34,;23.66,-45,;23.68,-47.67,;22.92,-49.01,;21.38,-49.02,;23.7,-50.33,;24.47,-51.66,;15.85,-47.8,;14.38,-48.28,;13.04,-47.52,;11.71,-48.29,;11.71,-49.84,;10.38,-50.6,;9.05,-49.83,;9.05,-48.29,;7.73,-47.52,;6.39,-48.29,;6.39,-49.83,;7.72,-50.61,;5.05,-47.51,;4.28,-46.17,;5.82,-46.16,;3.72,-48.27,;13.05,-50.61,;14.39,-49.84,)|
BDBM50396270 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)c(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(46.48,-42.35,;44.97,-42.04,;44.49,-40.57,;43.95,-43.18,;42.44,-42.87,;41.41,-44.01,;41.96,-41.4,;40.45,-41.08,;39.98,-39.63,;41.01,-38.48,;42.51,-38.79,;42.99,-40.25,;40.52,-37.02,;41.43,-35.76,;42.97,-35.75,;43.73,-34.42,;42.95,-33.09,;45.26,-34.4,;46.02,-33.07,;47.56,-33.05,;48.34,-34.39,;49.88,-34.38,;47.58,-35.72,;48.36,-37.05,;46.04,-35.73,;40.51,-34.51,;39.04,-35,;37.7,-34.24,;36.37,-35.01,;36.37,-36.55,;35.04,-37.32,;33.7,-36.55,;33.71,-35.01,;32.39,-34.24,;31.05,-35,;31.05,-36.54,;32.38,-37.32,;29.71,-34.22,;28.94,-32.89,;30.48,-32.88,;28.38,-34.99,;37.7,-37.32,;39.04,-36.55,)|
BDBM50396271 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccnc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.3,-41.53,;19.79,-41.22,;19.31,-39.75,;18.76,-42.36,;17.26,-42.05,;16.23,-43.19,;16.78,-40.58,;15.27,-40.26,;14.79,-38.81,;15.82,-37.66,;17.33,-37.97,;17.81,-39.43,;15.34,-36.2,;16.24,-34.94,;17.78,-34.93,;18.55,-33.6,;17.77,-32.27,;20.08,-33.58,;20.86,-34.91,;22.4,-34.91,;23.16,-33.57,;22.37,-32.23,;20.84,-32.25,;15.33,-33.69,;13.85,-34.18,;12.52,-33.42,;11.19,-34.19,;11.19,-35.73,;9.86,-36.5,;8.52,-35.73,;8.53,-34.19,;7.21,-33.42,;5.87,-34.18,;5.86,-35.72,;7.2,-36.5,;4.53,-33.4,;3.75,-32.07,;5.3,-32.06,;3.2,-34.17,;12.52,-36.5,;13.86,-35.73,)|
BDBM50396272 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(cc2)C#N)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(45.43,-29.21,;43.93,-28.89,;43.45,-27.43,;42.9,-30.04,;41.39,-29.72,;40.37,-30.87,;40.91,-28.26,;39.41,-27.94,;38.93,-26.48,;39.96,-25.34,;41.46,-25.64,;41.94,-27.11,;39.48,-23.88,;40.38,-22.62,;41.92,-22.61,;42.68,-21.27,;41.9,-19.94,;44.22,-21.26,;45,-22.59,;46.53,-22.58,;47.3,-21.24,;46.51,-19.91,;44.98,-19.92,;48.83,-21.23,;50.37,-21.21,;39.46,-21.37,;37.99,-21.86,;36.65,-21.09,;35.33,-21.86,;35.32,-23.41,;33.99,-24.18,;32.66,-23.4,;32.67,-21.87,;31.34,-21.1,;30,-21.86,;30,-23.4,;31.33,-24.18,;28.67,-21.08,;27.89,-19.74,;29.44,-19.74,;27.34,-21.85,;36.66,-24.18,;38,-23.41,)|
BDBM50396273 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccncc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(20.65,-27.95,;19.15,-27.63,;18.67,-26.17,;18.12,-28.78,;16.61,-28.46,;15.59,-29.61,;16.13,-27,;14.63,-26.68,;14.15,-25.22,;15.18,-24.08,;16.68,-24.38,;17.16,-25.85,;14.7,-22.62,;15.6,-21.36,;17.14,-21.35,;17.9,-20.01,;17.12,-18.68,;19.44,-20,;20.22,-21.33,;21.75,-21.32,;22.52,-19.98,;21.73,-18.65,;20.2,-18.66,;14.68,-20.11,;13.21,-20.6,;11.88,-19.83,;10.55,-20.6,;10.55,-22.15,;9.21,-22.91,;7.88,-22.14,;7.89,-20.61,;6.56,-19.83,;5.22,-20.6,;5.22,-22.14,;6.55,-22.92,;3.89,-19.82,;3.11,-18.48,;4.66,-18.48,;2.56,-20.58,;11.88,-22.92,;13.22,-22.15,)|
BDBM50396274 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(20.43,-12.62,;18.92,-12.3,;18.44,-10.84,;17.89,-13.45,;16.39,-13.13,;15.36,-14.28,;15.91,-11.67,;14.4,-11.35,;13.92,-9.89,;14.96,-8.75,;16.46,-9.05,;16.94,-10.52,;14.47,-7.29,;15.38,-6.03,;16.91,-6.02,;17.68,-4.68,;16.9,-3.35,;19.21,-4.67,;19.97,-3.33,;21.51,-3.32,;22.29,-4.65,;21.53,-5.99,;22.3,-7.32,;19.99,-6,;14.46,-4.78,;12.98,-5.26,;11.65,-4.5,;10.32,-5.27,;10.32,-6.81,;8.99,-7.58,;7.65,-6.81,;7.66,-5.27,;6.34,-4.5,;5,-5.27,;4.99,-6.81,;6.33,-7.59,;3.66,-4.49,;2.88,-3.15,;4.43,-3.14,;2.33,-5.25,;11.65,-7.59,;12.99,-6.81,)|
BDBM50396275 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(48.93,-55.68,;47.43,-55.37,;46.95,-53.9,;46.4,-56.51,;44.89,-56.2,;43.86,-57.34,;44.41,-54.73,;42.91,-54.41,;42.43,-52.96,;43.46,-51.81,;44.96,-52.12,;45.44,-53.58,;42.98,-50.35,;43.88,-49.09,;45.42,-49.08,;46.18,-47.74,;45.4,-46.42,;47.72,-47.73,;48.49,-49.06,;50.03,-49.05,;50.8,-47.72,;50.01,-46.38,;48.47,-46.4,;42.96,-47.84,;41.49,-48.33,;40.15,-47.57,;38.83,-48.34,;38.82,-49.88,;37.49,-50.65,;36.16,-49.88,;36.17,-48.34,;34.84,-47.57,;33.5,-48.33,;33.5,-49.87,;34.83,-50.65,;32.16,-47.55,;31.39,-46.21,;32.93,-46.21,;30.84,-48.32,;40.16,-50.65,;41.5,-49.88,)|
BDBM50396239 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CC(C3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(22.07,-55.4,;20.56,-55.09,;20.08,-53.62,;19.53,-56.23,;18.03,-55.92,;17,-57.06,;17.55,-54.45,;16.04,-54.13,;15.56,-52.68,;16.59,-51.53,;18.1,-51.84,;18.58,-53.3,;16.11,-50.07,;17.01,-48.81,;18.55,-48.8,;19.32,-47.46,;18.54,-46.13,;20.86,-47.45,;21.63,-48.78,;23.17,-48.77,;23.93,-47.43,;25.47,-47.42,;23.15,-46.1,;21.61,-46.12,;16.1,-47.56,;14.62,-48.05,;13.29,-47.29,;11.96,-48.06,;11.96,-49.6,;10.62,-50.37,;9.29,-49.6,;8.89,-48.11,;7.4,-48.51,;7.8,-50,;6.07,-47.74,;5.29,-46.4,;6.84,-46.39,;4.73,-48.51,;13.29,-50.37,;14.63,-49.6,)|
BDBM50396240 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CNCC(C)(C)O)cc12 |r,wU:9.12,6.5,(47.16,-41.31,;45.65,-40.99,;45.17,-39.52,;44.62,-42.13,;43.12,-41.82,;42.09,-42.96,;42.64,-40.35,;41.13,-40.03,;40.65,-38.58,;41.68,-37.43,;43.19,-37.74,;43.67,-39.2,;41.2,-35.97,;42.1,-34.71,;43.64,-34.7,;44.41,-33.36,;43.63,-32.03,;45.95,-33.35,;46.72,-34.68,;48.26,-34.67,;49.02,-33.33,;50.56,-33.32,;48.24,-32,;46.7,-32.02,;41.19,-33.46,;39.71,-33.95,;38.38,-33.19,;37.05,-33.96,;37.05,-35.5,;35.71,-36.27,;34.38,-35.5,;33.05,-36.27,;31.71,-35.5,;30.93,-34.16,;32.48,-34.15,;30.38,-36.27,;38.38,-36.27,;39.72,-35.5,)|
BDBM50396241 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(C3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(22.58,-40.66,;21.08,-40.34,;20.6,-38.88,;20.05,-41.49,;18.54,-41.17,;17.51,-42.32,;18.06,-39.71,;16.56,-39.39,;16.08,-37.93,;17.11,-36.79,;18.61,-37.09,;19.09,-38.56,;16.62,-35.33,;17.53,-34.07,;19.07,-34.06,;19.83,-32.72,;19.05,-31.39,;21.37,-32.71,;22.14,-34.04,;23.68,-34.03,;24.45,-32.69,;25.99,-32.68,;23.66,-31.36,;22.12,-31.37,;16.61,-32.82,;15.14,-33.3,;13.8,-32.54,;12.47,-33.31,;12.47,-34.86,;11.14,-35.62,;9.8,-34.85,;9.65,-33.33,;8.14,-33,;7.37,-34.34,;8.4,-35.48,;5.84,-34.49,;5.83,-36.03,;4.5,-35.26,;4.94,-33.25,;13.8,-35.63,;15.15,-34.86,)|
BDBM50396242 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC[C@H]3C(C)(C)O)cc12 |r,wU:9.12,6.5,wD:34.37,(46.44,-26.96,;44.93,-26.64,;44.45,-25.18,;43.9,-27.79,;42.4,-27.47,;41.37,-28.62,;41.92,-26.01,;40.41,-25.69,;39.93,-24.23,;40.96,-23.08,;42.46,-23.39,;42.94,-24.86,;40.48,-21.62,;41.38,-20.36,;42.92,-20.35,;43.68,-19.01,;42.91,-17.69,;45.22,-19.01,;46,-20.33,;47.54,-20.33,;48.3,-18.99,;49.84,-18.97,;47.51,-17.65,;45.98,-17.67,;40.46,-19.11,;38.99,-19.6,;37.66,-18.84,;36.33,-19.61,;36.32,-21.15,;34.99,-21.92,;33.66,-21.15,;33.5,-19.62,;32,-19.3,;31.23,-20.63,;32.26,-21.78,;31.93,-23.28,;30.84,-24.37,;30.44,-22.87,;33.08,-24.31,;37.66,-21.92,;39,-21.15,)|
BDBM50396243 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(21.34,-25.87,;19.83,-25.56,;19.35,-24.09,;18.81,-26.7,;17.3,-26.39,;16.27,-27.53,;16.82,-24.92,;15.31,-24.6,;14.83,-23.15,;15.87,-22,;17.37,-22.31,;17.85,-23.77,;15.38,-20.54,;16.29,-19.28,;17.83,-19.27,;18.59,-17.94,;17.81,-16.61,;20.13,-17.93,;20.9,-19.25,;22.44,-19.25,;23.2,-17.91,;24.74,-17.9,;22.42,-16.57,;20.88,-16.59,;15.37,-18.03,;13.9,-18.52,;12.56,-17.76,;11.23,-18.53,;11.23,-20.07,;9.9,-20.84,;8.56,-20.07,;8.56,-18.53,;7.24,-17.76,;5.9,-18.52,;5.9,-20.06,;7.23,-20.84,;4.56,-17.74,;3.79,-16.41,;5.33,-16.4,;3.23,-18.51,;12.56,-20.84,;13.9,-20.07,)|
BDBM50396244 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC[C@H]3C(N)=O)cc12 |r,wU:9.12,6.5,wD:34.37,(44,-11.13,;42.5,-10.81,;42.02,-9.35,;41.47,-11.96,;39.96,-11.64,;38.93,-12.79,;39.48,-10.18,;37.97,-9.86,;37.5,-8.4,;38.53,-7.26,;40.03,-7.56,;40.51,-9.03,;38.04,-5.8,;38.95,-4.53,;40.49,-4.53,;41.25,-3.19,;40.47,-1.86,;42.79,-3.18,;43.56,-4.51,;45.1,-4.5,;45.87,-3.16,;47.41,-3.15,;45.08,-1.83,;43.54,-1.84,;38.03,-3.29,;36.56,-3.77,;35.22,-3.01,;33.89,-3.78,;33.89,-5.32,;32.56,-6.09,;31.22,-5.32,;31.07,-3.79,;29.56,-3.47,;28.79,-4.81,;29.82,-5.95,;29.5,-7.46,;28.04,-7.94,;30.65,-8.49,;35.22,-6.09,;36.57,-5.32,)|
BDBM50396245 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(N)=O)cc12 |r,wU:9.12,6.5,(21.16,-11.25,;19.65,-10.94,;19.17,-9.47,;18.62,-12.08,;17.12,-11.77,;16.09,-12.91,;16.64,-10.3,;15.13,-9.98,;14.65,-8.53,;15.68,-7.38,;17.19,-7.68,;17.67,-9.15,;15.2,-5.92,;16.1,-4.66,;17.64,-4.65,;18.41,-3.31,;17.63,-1.98,;19.95,-3.3,;20.72,-4.63,;22.26,-4.62,;23.02,-3.28,;24.56,-3.27,;22.24,-1.95,;20.7,-1.96,;15.19,-3.41,;13.71,-3.9,;12.38,-3.13,;11.05,-3.9,;11.05,-5.45,;9.71,-6.22,;8.38,-5.45,;8.38,-3.91,;7.05,-3.14,;5.72,-3.9,;5.71,-5.44,;7.04,-6.22,;4.38,-3.12,;4.39,-1.58,;3.04,-3.89,;12.38,-6.22,;13.72,-5.45,)|
BDBM50396246 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CC3)C(O)=O)cc12 |r,wU:9.12,6.5,(45.25,-54.5,;43.75,-54.18,;43.27,-52.72,;42.72,-55.33,;41.21,-55.01,;40.18,-56.15,;40.73,-53.54,;39.23,-53.23,;38.75,-51.77,;39.78,-50.62,;41.28,-50.93,;41.76,-52.4,;39.3,-49.16,;40.2,-47.9,;41.74,-47.89,;42.5,-46.55,;41.72,-45.23,;44.04,-46.55,;44.82,-47.87,;46.35,-47.87,;47.12,-46.53,;48.66,-46.51,;46.33,-45.19,;44.8,-45.21,;39.28,-46.65,;37.81,-47.14,;36.47,-46.38,;35.14,-47.15,;35.14,-48.69,;33.81,-49.46,;32.47,-48.69,;32.47,-47.15,;31.15,-46.38,;29.81,-47.14,;29.81,-48.68,;31.14,-49.46,;28.48,-46.36,;28.48,-44.82,;27.14,-47.13,;36.48,-49.46,;37.82,-48.69,)|
BDBM50396247 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCCCC3C(O)=O)cc12 |r,wU:9.12,6.5,(19.89,-53.73,;18.39,-53.42,;17.91,-51.95,;17.36,-54.56,;15.85,-54.25,;14.82,-55.39,;15.37,-52.78,;13.86,-52.46,;13.39,-51.01,;14.42,-49.86,;15.92,-50.17,;16.4,-51.63,;13.93,-48.4,;14.84,-47.14,;16.38,-47.13,;17.14,-45.79,;16.36,-44.46,;18.68,-45.78,;19.45,-47.11,;20.99,-47.1,;21.76,-45.76,;23.3,-45.75,;20.97,-44.43,;19.43,-44.45,;13.92,-45.89,;12.45,-46.38,;11.11,-45.61,;9.78,-46.39,;9.78,-47.93,;8.45,-48.7,;7.11,-47.93,;7.11,-46.39,;5.79,-45.62,;4.45,-46.38,;4.44,-47.92,;5.78,-48.7,;5.77,-50.24,;4.44,-51.01,;7.1,-51.02,;11.11,-48.7,;12.45,-47.93,)|
BDBM50396248 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCC(CN)CC3)cc12 |r,wU:9.12,6.5,(45.43,-40.21,;43.92,-39.89,;43.44,-38.43,;42.89,-41.04,;41.38,-40.72,;40.36,-41.87,;40.9,-39.26,;39.4,-38.94,;38.92,-37.48,;39.95,-36.34,;41.45,-36.64,;41.93,-38.11,;39.47,-34.87,;40.37,-33.61,;41.91,-33.61,;42.67,-32.27,;41.89,-30.94,;44.21,-32.26,;44.99,-33.59,;46.52,-33.58,;47.29,-32.24,;48.83,-32.23,;46.5,-30.91,;44.97,-30.92,;39.45,-32.37,;37.98,-32.85,;36.64,-32.09,;35.31,-32.86,;35.31,-34.4,;33.98,-35.17,;32.65,-34.4,;32.65,-32.86,;31.33,-32.09,;29.99,-32.85,;28.66,-32.08,;28.67,-30.54,;29.99,-34.4,;31.32,-35.18,;36.65,-35.17,;37.99,-34.4,)|
BDBM50396249 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCNC(=O)C3)cc12 |r,wU:9.12,6.5,(19.95,-39.16,;18.45,-38.84,;17.97,-37.38,;17.42,-39.99,;15.91,-39.67,;14.88,-40.82,;15.43,-38.21,;13.93,-37.89,;13.45,-36.43,;14.48,-35.29,;15.98,-35.59,;16.46,-37.06,;14,-33.83,;14.9,-32.56,;16.44,-32.56,;17.2,-31.22,;16.42,-29.89,;18.74,-31.21,;19.52,-32.54,;21.05,-32.53,;21.82,-31.19,;23.36,-31.18,;21.03,-29.86,;19.5,-29.87,;13.98,-31.32,;12.51,-31.8,;11.17,-31.04,;9.84,-31.81,;9.84,-33.35,;8.51,-34.12,;7.17,-33.35,;5.84,-34.13,;4.51,-33.35,;4.51,-31.8,;5.85,-31.04,;5.86,-29.5,;7.17,-31.81,;11.18,-34.13,;12.52,-33.35,)|
BDBM50396250 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCNCC3)cc12 |r,wU:9.12,6.5,(43.23,-26.31,;41.73,-25.99,;41.25,-24.53,;40.7,-27.14,;39.19,-26.82,;38.16,-27.97,;38.71,-25.36,;37.2,-25.04,;36.73,-23.58,;37.76,-22.44,;39.26,-22.74,;39.74,-24.21,;37.27,-20.98,;38.18,-19.72,;39.72,-19.71,;40.48,-18.37,;39.7,-17.04,;42.02,-18.36,;42.79,-19.69,;44.33,-19.68,;45.1,-18.34,;46.64,-18.33,;44.31,-17.01,;42.77,-17.02,;37.26,-18.47,;35.79,-18.95,;34.45,-18.19,;33.12,-18.96,;33.12,-20.51,;31.79,-21.27,;30.45,-20.5,;30.46,-18.96,;29.14,-18.19,;27.8,-18.96,;27.79,-20.5,;29.13,-21.28,;34.45,-21.28,;35.8,-20.51,)|
BDBM50396251 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(Oc3ccccn3)cc12 |r,wU:9.12,6.5,(19.93,-25.79,;18.42,-25.47,;17.95,-24.01,;17.4,-26.62,;15.89,-26.3,;14.86,-27.45,;15.41,-24.84,;13.9,-24.52,;13.42,-23.06,;14.46,-21.92,;15.96,-22.22,;16.44,-23.69,;13.97,-20.46,;14.88,-19.2,;16.42,-19.19,;17.18,-17.85,;16.4,-16.52,;18.72,-17.84,;19.49,-19.17,;21.03,-19.16,;21.79,-17.82,;23.33,-17.81,;21.01,-16.49,;19.47,-16.5,;13.96,-17.95,;12.48,-18.43,;11.15,-17.67,;9.82,-18.44,;9.82,-19.99,;8.48,-20.75,;7.15,-19.98,;7.15,-18.44,;5.82,-17.67,;4.49,-18.44,;4.49,-19.99,;5.82,-20.75,;11.15,-20.76,;12.49,-19.99,)|
BDBM50396252 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(Cn3cncn3)cc12 |r,wU:9.12,6.5,(41,-11.39,;39.49,-11.07,;39.02,-9.61,;38.47,-12.22,;36.96,-11.9,;35.93,-13.04,;36.48,-10.43,;34.97,-10.12,;34.49,-8.66,;35.53,-7.51,;37.03,-7.82,;37.51,-9.29,;35.04,-6.05,;35.95,-4.79,;37.49,-4.78,;38.25,-3.44,;37.47,-2.11,;39.79,-3.44,;40.56,-4.76,;42.1,-4.75,;42.86,-3.42,;44.4,-3.4,;42.08,-2.08,;40.54,-2.1,;35.03,-3.54,;33.55,-4.03,;32.22,-3.27,;30.89,-4.04,;30.89,-5.58,;29.55,-6.35,;28.22,-5.58,;28.07,-4.05,;26.56,-3.73,;25.79,-5.06,;26.82,-6.21,;32.22,-6.35,;33.56,-5.58,)|
BDBM50396253 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCS(=O)(=O)CC3)cc12 |r,wU:9.12,6.5,(19.6,-10.76,;18.09,-10.45,;17.61,-8.98,;17.06,-11.59,;15.55,-11.28,;14.53,-12.42,;15.08,-9.81,;13.57,-9.49,;13.09,-8.04,;14.12,-6.89,;15.62,-7.19,;16.1,-8.66,;13.64,-5.43,;14.54,-4.17,;16.08,-4.16,;16.84,-2.82,;16.07,-1.49,;18.38,-2.81,;19.16,-4.14,;20.7,-4.13,;21.46,-2.79,;23,-2.78,;20.67,-1.46,;19.14,-1.47,;13.62,-2.92,;12.15,-3.41,;10.81,-2.64,;9.49,-3.41,;9.48,-4.96,;8.15,-5.73,;6.82,-4.96,;6.82,-3.42,;5.49,-2.65,;4.15,-3.41,;2.61,-3.41,;3.38,-2.07,;4.15,-4.95,;5.48,-5.73,;10.82,-5.73,;12.16,-4.96,)|
BDBM50396254 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:9.12,6.5,(52.43,-50.86,;50.92,-50.54,;50.44,-49.08,;49.89,-51.69,;48.38,-51.37,;47.36,-52.52,;47.9,-49.91,;46.4,-49.59,;45.92,-48.13,;46.95,-46.98,;48.45,-47.29,;48.93,-48.76,;46.47,-45.52,;47.37,-44.26,;48.91,-44.25,;49.67,-42.92,;48.89,-41.59,;51.21,-42.91,;51.99,-44.23,;53.52,-44.23,;54.29,-42.89,;55.83,-42.88,;53.5,-41.55,;51.97,-41.57,;46.45,-43.01,;44.98,-43.5,;43.64,-42.74,;42.31,-43.51,;42.31,-45.05,;40.98,-45.82,;39.65,-45.05,;39.65,-43.51,;38.32,-42.74,;36.98,-43.5,;36.98,-45.04,;38.31,-45.82,;43.65,-45.82,;44.99,-45.05,)|
BDBM50396255 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccccc12 |r,wU:9.12,6.5,(31.37,-49.74,;29.87,-49.42,;29.39,-47.96,;28.84,-50.57,;27.33,-50.25,;26.3,-51.4,;26.85,-48.79,;25.34,-48.47,;24.87,-47.01,;25.9,-45.86,;27.4,-46.17,;27.88,-47.64,;25.41,-44.4,;26.32,-43.14,;27.86,-43.13,;28.62,-41.8,;27.84,-40.47,;30.16,-41.79,;30.93,-43.11,;32.47,-43.11,;33.24,-41.77,;34.78,-41.76,;32.45,-40.43,;30.91,-40.45,;25.4,-41.89,;23.93,-42.38,;22.59,-41.62,;21.26,-42.39,;21.26,-43.93,;22.59,-44.7,;23.93,-43.93,)|
BDBM50396256 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:9.12,6.5,(16.69,-49.6,;15.18,-49.28,;14.7,-47.81,;14.15,-50.42,;12.65,-50.11,;11.62,-51.25,;12.17,-48.64,;10.66,-48.32,;10.18,-46.87,;11.21,-45.72,;12.71,-46.03,;13.19,-47.49,;10.73,-44.26,;11.63,-43,;13.17,-42.99,;13.93,-41.65,;13.16,-40.33,;15.47,-41.64,;16.25,-42.97,;17.79,-42.96,;18.55,-41.63,;17.76,-40.29,;16.23,-40.31,;10.71,-41.75,;9.24,-42.24,;7.91,-41.48,;6.58,-42.25,;6.57,-43.79,;5.24,-44.56,;3.91,-43.79,;3.91,-42.25,;2.58,-41.48,;1.24,-42.24,;1.24,-43.78,;2.57,-44.56,;7.91,-44.56,;9.25,-43.79,)|
BDBM50396257 NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:6.9,3.2,(51.54,-34.02,;50.04,-33.71,;49.01,-34.85,;49.56,-32.24,;48.05,-31.92,;47.57,-30.47,;48.6,-29.32,;50.11,-29.63,;50.59,-31.09,;48.12,-27.86,;49.03,-26.6,;50.56,-26.59,;51.33,-25.25,;50.55,-23.93,;52.87,-25.25,;53.64,-26.57,;55.18,-26.56,;55.94,-25.23,;55.16,-23.89,;53.62,-23.91,;48.11,-25.35,;46.63,-25.84,;45.3,-25.08,;43.97,-25.85,;43.97,-27.39,;42.63,-28.16,;41.3,-27.39,;41.3,-25.85,;39.98,-25.08,;38.64,-25.84,;38.63,-27.38,;39.97,-28.16,;45.3,-28.16,;46.64,-27.39,)|
BDBM50396258 CCN(CC)C(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:10.13,7.6,(32.46,-36.02,;33.49,-34.87,;33.01,-33.41,;34.04,-32.26,;35.55,-32.58,;31.51,-33.09,;30.48,-34.24,;31.03,-31.63,;29.52,-31.31,;29.04,-29.85,;30.07,-28.71,;31.58,-29.01,;32.06,-30.48,;29.59,-27.25,;30.49,-25.98,;32.03,-25.98,;32.8,-24.64,;32.02,-23.31,;34.34,-24.63,;35.11,-25.96,;36.65,-25.95,;37.41,-24.61,;36.63,-23.28,;35.09,-23.29,;29.57,-24.74,;28.1,-25.22,;26.77,-24.46,;25.44,-25.23,;25.44,-26.77,;24.1,-27.54,;22.77,-26.77,;22.77,-25.23,;21.44,-24.46,;20.1,-25.22,;20.1,-26.77,;21.43,-27.55,;26.77,-27.55,;28.11,-26.77,)|
BDBM50396259 CCNC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:8.11,5.4,(15.62,-34.99,;14.12,-34.68,;13.64,-33.21,;12.13,-32.89,;11.1,-34.04,;11.65,-31.43,;10.15,-31.11,;9.67,-29.66,;10.7,-28.51,;12.2,-28.81,;12.68,-30.28,;10.21,-27.05,;11.12,-25.79,;12.66,-25.78,;13.42,-24.44,;12.64,-23.11,;14.96,-24.43,;15.73,-25.76,;17.27,-25.75,;18.04,-24.41,;17.25,-23.08,;15.71,-23.09,;10.2,-24.54,;8.73,-25.03,;7.39,-24.26,;6.06,-25.03,;6.06,-26.58,;4.73,-27.35,;3.39,-26.58,;3.39,-25.04,;2.07,-24.27,;.73,-25.03,;.73,-26.57,;2.06,-27.35,;7.4,-27.35,;8.74,-26.58,)|
BDBM50396260 CCOC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:8.11,5.4,(52,-15.71,;50.49,-15.39,;50.01,-13.93,;48.51,-13.61,;47.48,-14.76,;48.03,-12.15,;46.52,-11.83,;46.04,-10.37,;47.07,-9.22,;48.58,-9.53,;49.06,-11,;46.59,-7.76,;47.49,-6.5,;49.03,-6.49,;49.8,-5.15,;49.02,-3.83,;51.34,-5.15,;52.11,-6.47,;53.65,-6.47,;54.41,-5.13,;53.63,-3.79,;52.09,-3.81,;46.58,-5.25,;45.1,-5.74,;43.77,-4.98,;42.44,-5.75,;42.44,-7.29,;41.1,-8.06,;39.77,-7.29,;39.77,-5.75,;38.44,-4.98,;37.11,-5.74,;37.1,-7.28,;38.43,-8.06,;43.77,-8.06,;45.11,-7.29,)|
BDBM50396261 COC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:7.10,4.3,(20.54,-15.02,;22.01,-14.55,;22.33,-13.04,;21.19,-12.01,;23.79,-12.57,;24.12,-11.06,;25.58,-10.59,;26.73,-11.62,;26.41,-13.13,;24.94,-13.6,;28.19,-11.14,;29.43,-12.04,;29.44,-13.58,;30.78,-14.35,;32.11,-13.58,;30.78,-15.89,;29.45,-16.66,;29.45,-18.2,;30.78,-18.97,;32.12,-18.2,;32.12,-16.65,;30.68,-11.14,;30.2,-9.67,;30.97,-8.34,;30.19,-7.01,;28.65,-7.02,;27.86,-5.69,;28.62,-4.35,;30.17,-4.35,;30.93,-3.02,;30.15,-1.68,;28.61,-1.69,;27.84,-3.03,;27.89,-8.36,;28.66,-9.68,)|
BDBM50396262 OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)S(=O)(=O)NCC=C)nc2cc(CN3CCCCC3)ccc12 |r,wU:5.8,2.1,(2.29,-8.47,;3.44,-9.5,;4.9,-9.03,;5.23,-7.52,;6.69,-7.05,;7.84,-8.08,;7.52,-9.59,;6.05,-10.06,;9.3,-7.6,;10.54,-8.5,;10.55,-10.04,;11.88,-10.81,;13.21,-10.04,;11.89,-12.35,;13.22,-13.11,;13.23,-14.66,;11.89,-15.44,;10.56,-14.67,;10.56,-13.12,;9.22,-15.43,;9.98,-16.76,;8.45,-16.76,;7.89,-14.66,;6.56,-15.43,;5.22,-14.66,;3.89,-15.43,;11.79,-7.6,;11.31,-6.13,;12.07,-4.8,;11.3,-3.47,;12.06,-2.13,;13.6,-2.12,;14.38,-3.47,;15.91,-3.46,;16.68,-2.13,;15.9,-.79,;14.36,-.8,;9.75,-3.48,;9,-4.82,;9.77,-6.14,)|
BDBM50396263 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(45.25,-13.26,;43.74,-12.95,;43.27,-11.48,;42.72,-14.09,;41.21,-13.77,;40.18,-14.92,;40.73,-12.31,;39.23,-11.99,;38.75,-10.54,;39.78,-9.39,;41.28,-9.69,;41.76,-11.16,;39.29,-7.93,;40.2,-6.67,;41.74,-6.66,;42.5,-5.32,;41.72,-4,;44.04,-5.31,;44.81,-6.64,;46.35,-6.63,;47.13,-7.96,;47.11,-5.3,;46.33,-3.96,;47.08,-2.62,;44.79,-3.98,;39.28,-5.42,;37.81,-5.91,;36.47,-5.15,;35.14,-5.92,;35.14,-7.46,;33.81,-8.23,;32.48,-7.46,;32.49,-5.92,;31.16,-5.15,;29.82,-5.91,;29.82,-7.45,;31.15,-8.23,;28.48,-5.13,;27.71,-3.79,;29.25,-3.79,;27.16,-5.9,;36.48,-8.23,;37.82,-7.46,)|
BDBM50396264 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(C#N)c(F)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(47.28,-30.24,;45.77,-29.92,;45.3,-28.46,;44.75,-31.07,;43.24,-30.75,;42.21,-31.9,;42.76,-29.29,;41.25,-28.97,;40.78,-27.52,;41.81,-26.37,;43.31,-26.67,;43.79,-28.14,;41.32,-24.91,;42.23,-23.65,;43.77,-23.64,;44.53,-22.3,;43.75,-20.97,;46.06,-22.29,;46.84,-23.62,;48.38,-23.61,;49.14,-22.27,;50.68,-22.26,;52.22,-22.25,;48.36,-20.94,;49.11,-19.6,;46.82,-20.96,;41.31,-22.4,;39.84,-22.89,;38.5,-22.12,;37.17,-22.9,;37.17,-24.44,;35.84,-25.21,;34.51,-24.44,;34.51,-22.9,;33.19,-22.13,;31.85,-22.89,;31.85,-24.43,;33.18,-25.21,;30.51,-22.11,;29.74,-20.77,;31.28,-20.77,;29.18,-22.88,;38.51,-25.21,;39.85,-24.44,)|
BDBM50396265 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)c(Cl)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(20.95,-29.19,;19.44,-28.87,;18.97,-27.41,;18.42,-30.02,;16.91,-29.7,;15.88,-30.85,;16.43,-28.24,;14.93,-27.92,;14.45,-26.46,;15.48,-25.32,;16.98,-25.62,;17.46,-27.09,;14.99,-23.85,;15.9,-22.59,;17.44,-22.59,;18.2,-21.25,;17.42,-19.92,;19.74,-21.23,;20.51,-22.57,;22.05,-22.56,;22.81,-21.22,;24.35,-21.21,;22.03,-19.89,;22.79,-18.55,;20.49,-19.9,;14.98,-21.35,;13.51,-21.83,;12.17,-21.07,;10.84,-21.84,;10.84,-23.38,;9.51,-24.15,;8.18,-23.38,;8.18,-21.84,;6.86,-21.07,;5.52,-21.83,;5.52,-23.38,;6.85,-24.16,;4.18,-21.06,;3.41,-19.72,;4.95,-19.71,;2.85,-21.82,;12.18,-24.15,;13.52,-23.38,)|
BDBM50396266 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(Cl)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(46.12,-12.93,;44.62,-12.61,;44.14,-11.15,;43.59,-13.76,;42.08,-13.44,;41.06,-14.59,;41.6,-11.98,;40.1,-11.66,;39.62,-10.2,;40.65,-9.06,;42.15,-9.36,;42.63,-10.83,;40.17,-7.6,;41.07,-6.34,;42.61,-6.33,;43.37,-4.99,;42.59,-3.66,;44.91,-4.98,;45.68,-6.31,;47.22,-6.3,;47.99,-4.96,;47.2,-3.63,;47.96,-2.29,;45.66,-3.64,;40.15,-5.09,;38.68,-5.58,;37.34,-4.81,;36.02,-5.58,;36.01,-7.13,;34.68,-7.89,;33.35,-7.12,;33.36,-5.59,;32.03,-4.81,;30.69,-5.58,;30.69,-7.12,;32.02,-7.9,;29.36,-4.8,;28.58,-3.46,;30.13,-3.45,;28.03,-5.56,;37.35,-7.9,;38.69,-7.13,)|
BDBM50396267 CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cc(F)cc(Cl)c2)nc2ccc(CN3CCC(CC3)C(C)(C)O)cc12 |r,wU:9.12,6.5,(20.95,-11.71,;19.45,-11.39,;18.97,-9.93,;18.42,-12.54,;16.91,-12.22,;15.88,-13.37,;16.43,-10.76,;14.93,-10.44,;14.45,-8.98,;15.48,-7.84,;16.98,-8.14,;17.46,-9.61,;14.99,-6.38,;15.9,-5.12,;17.44,-5.11,;18.2,-3.77,;17.42,-2.44,;19.74,-3.76,;20.49,-2.42,;22.03,-2.41,;22.79,-1.07,;22.81,-3.74,;22.05,-5.08,;22.83,-6.41,;20.51,-5.09,;14.98,-3.87,;13.51,-4.36,;12.17,-3.59,;10.84,-4.36,;10.84,-5.91,;9.51,-6.67,;8.18,-5.9,;8.18,-4.36,;6.86,-3.59,;5.52,-4.36,;5.52,-5.9,;6.85,-6.68,;4.18,-3.58,;3.41,-2.24,;4.95,-2.23,;2.85,-4.34,;12.18,-6.68,;13.52,-5.91,)|
BDBM50399676 CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
BDBM50413752 COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
BDBM50432894 C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCN(C)CC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50429867 Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
BDBM50442259 C[C@@H](Sc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50434614 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
BDBM50434621 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(C)c2)CC1
BDBM50434622 Cc1cc(ccc1NC(=O)Nc1cc(on1)C(C)(C)C)-c1cc(NC(=O)c2ccc(OCCN3CCOCC3)cc2)[nH]n1
BDBM50434623 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)CC1
BDBM50434625 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)[nH]n2)no1
BDBM50434628 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
BDBM50443560 C[C@@H](Oc1cc(cnc1N)-c1ccc2c(NC(=O)C22CCN(C)CC2)c1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50442757 CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(CC2)C2CCC3(CC2)OCCO3)cc1
BDBM50442758 CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
BDBM50442759 CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(no2)C(=O)NC2CCN(C)CC2)cc1
BDBM50442760 CN1CCC(CC1)NC(=O)c1cc(on1)-c1c(O)cc(O)cc1Oc1ccc(cc1)[N+]([O-])=O
BDBM50444090 Nc1ncc(cc1-c1nc2ccc(cc2o1)N1CCCC1)-c1cnn(c1)C1CCNCC1
BDBM50443366 CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
BDBM50448039 Clc1cc2nc3ccccc3n2cn1
BDBM50448040 Brc1ccc2nc3cc(Nc4ccccc4)ncn3c2c1
BDBM50448042 COc1cccc(Nc2cc3nc4ccccc4n3cn2)c1
BDBM50448043 COc1ccc(cc1)-c1cncc2nc3ccc(cc3n12)-c1ccc(NC(C)=O)cc1
BDBM50448044 COc1ccc(cc1)-c1cc2nc3ccc(Br)cc3n2cn1
BDBM50448045 COc1ccc(cc1)-c1cncc2nc3ccc(cc3n12)-c1ccc(cc1)N1CCN(C)CC1
BDBM50448046 [O-][N+](=O)c1cccc(Nc2cc3nc4ccccc4n3cn2)c1
BDBM50448047 COc1ccc(cc1)-c1cncc2nc3ccc(\C=C\c4ccccc4)cc3n12
BDBM50448048 COc1ccc(cc1)-c1ccc2nc3cncc(\C=C\c4ccccc4)n3c2c1
BDBM50448041 N(c1ccccc1)c1cc2nc3ccccc3n2cn1
BDBM50446982 C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1 |r|
BDBM50448035 Clc1cncc2nc3ccc(Br)cc3n12
BDBM50448036 Clc1cc2nc3ccc(Br)cc3n2cn1
BDBM50448037 CN1CCN(CC1)c1ccc(cc1)-c1ccc2nc3cncc(-c4ccc(cc4)N4CCN(C)CC4)n3c2c1
BDBM50448038 Clc1cncc2nc3ccccc3n12
BDBM50437161 C[C@@H](Oc1c(N)ncc2c(coc12)C1=CCN(CC1)C(N)=O)c1c(Cl)ccc(F)c1Cl |r,t:15|
BDBM50437051 CC(C)Oc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1
BDBM50437052 CC(=O)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
BDBM50437053 CN1CCC(CC1)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
BDBM50437054 FC(F)(F)c1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
BDBM50437055 COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1
BDBM50437056 COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCN(C)CC3)c2c1
BDBM50437057 COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)c3cnoc3C)c2c1
BDBM50437058 COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1
BDBM50437059 COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)CCN)c2c1
BDBM50437060 CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)[N+]([O-])=O)cc2C1
BDBM50437061 CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C#N)cc2C1
BDBM50437062 CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C(F)(F)F)cc2C1
BDBM50437063 COc1ccc2NC(=O)\C(=C/c3[nH]c4CCN(Cc4c3Cl)C(C)=O)c2c1
BDBM50436850 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436851 CC(C)Oc1nc(ncc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
BDBM50436852 CCN1CCC(CC1)c1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
BDBM50436853 CC(C)Oc1cc(C2CCN(CC2)C(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436854 CCN1CCC(CC1)c1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
BDBM50436855 CC(C)Oc1cc(C2CCN(CC2)C(=O)CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436856 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
BDBM50436857 CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50436858 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc(C)c(cc2OC2CCC2)C2CCNCC2)ncc1Cl
BDBM50436859 CC(C)Oc1cc(C2CCN(CC(N)=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436860 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436861 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436862 CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
BDBM50436863 CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436864 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cn1
BDBM50436865 CC(C)Oc1cc(C2CCN(CCO)CC2)c(C)cc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436866 CC(C)Oc1cc(C2CCN(CC2)C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436867 CC(C)Oc1cc(C2CCN(CC(O)=O)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436868 CC(C)Oc1cc(C2CCNC(=O)C2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436869 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(C)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436870 COCCN1CCC(CC1)c1cc(OC(C)C)c(Nc2ncc(C)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
BDBM50436871 COCCN1CCC(CC1)c1cc(OC(C)C)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
BDBM50436872 CC(C)Oc1cc(C2CCN(CC(F)F)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50436873 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C2CCC2)n1
BDBM50448785 C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r|
BDBM50445471 COCc1c(C)c(O)c(O)c(O)c1C=O
BDBM50445472 COC1OC(=O)c2c1c(C)c(O)c(O)c2O
BDBM50445473 Cc1c(O)c(O)c2O[C@H]3O[C@H](C(=O)c4c(O)c(O)c(O)c(C)c34)c2c1C=O |r|
BDBM50445474 Cc1c(O)c(O)c2oc(cc2c1C=O)-c1c(C)c(O)c(O)c(O)c1C=O
BDBM50445475 Cc1c2COC(=O)c2c(O)c(O)c1O
BDBM50446564 COC(=O)c1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1 |r,c:24|
BDBM50446565 COc1cc2nc(C)oc2c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O |r,c:25|
BDBM50446566 CC(C)CC=Nc1cc(O)c(O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H]2CCC=C3C)c1O |r,w:5.5,c:26|
BDBM50439153 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)c(F)c4)c3)c2c1
BDBM50439154 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1
BDBM50439155 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(Cl)c4)c3)c2c1
BDBM50439156 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)cc4)c3)c2c1
BDBM50439157 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(F)c4)c3)c2c1
BDBM50439158 Cc1nn(Cc2cc(F)cc(F)c2)c(C)c1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |(51.55,-16.45,;53.08,-16.45,;53.98,-15.21,;55.45,-15.68,;56.7,-14.78,;58.11,-15.4,;59.35,-14.5,;60.76,-15.12,;62,-14.22,;60.92,-16.66,;59.67,-17.56,;59.83,-19.09,;58.27,-16.93,;55.45,-17.22,;56.69,-18.12,;53.98,-17.7,;53.51,-19.17,;54.42,-20.41,;53.51,-21.65,;52.05,-21.18,;50.71,-21.95,;49.38,-21.18,;49.38,-19.64,;50.71,-18.87,;52.05,-19.64,;48.05,-18.87,;46.64,-19.5,;45.61,-18.35,;46.38,-17.02,;45.75,-15.61,;47.88,-17.33,)|
BDBM50439159 Cc1nn(Cc2cc(F)ccc2F)c(C)c1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |(29.69,-16.48,;31.22,-16.48,;32.12,-15.24,;33.59,-15.71,;34.83,-14.81,;36.24,-15.43,;36.4,-16.96,;37.81,-17.6,;37.97,-19.12,;39.06,-16.69,;38.9,-15.15,;37.49,-14.53,;37.33,-13.01,;33.59,-17.25,;34.83,-18.15,;32.12,-17.73,;31.65,-19.2,;32.55,-20.44,;31.65,-21.68,;30.18,-21.21,;28.85,-21.98,;27.51,-21.21,;27.51,-19.67,;28.85,-18.9,;30.18,-19.67,;26.18,-18.9,;24.78,-19.53,;23.74,-18.38,;24.52,-17.05,;23.89,-15.64,;26.02,-17.36,)|
BDBM50439160 Cc1nn(Cc2cccc(F)c2)c(C)c1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |(9.72,-16.45,;11.25,-16.45,;12.15,-15.2,;13.62,-15.68,;14.86,-14.78,;16.27,-15.4,;16.43,-16.93,;17.84,-17.56,;19.09,-16.65,;18.93,-15.12,;20.17,-14.22,;17.52,-14.5,;13.62,-17.22,;14.86,-18.12,;12.15,-17.7,;11.68,-19.16,;12.59,-20.4,;11.68,-21.65,;10.21,-21.18,;8.88,-21.94,;7.54,-21.18,;7.54,-19.64,;8.88,-18.86,;10.21,-19.64,;6.22,-18.86,;4.81,-19.49,;3.78,-18.35,;4.55,-17.01,;3.92,-15.61,;6.05,-17.33,)|
BDBM50439161 Cc1nn(Cc2cccc(F)c2)cc1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
BDBM50439162 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)cc(F)c4)c3)c2c1
BDBM50439163 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(O)c4)c3)c2c1
BDBM50439164 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(N)c4)c3)c2c1
BDBM50439165 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)[N+]([O-])=O)c3)c2c1
BDBM50439166 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)C(O)=O)c3)c2c1
BDBM50439167 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c2c1
BDBM50439168 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)C#N)c3)c2c1
BDBM50439169 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccccc4F)c3)c2c1
BDBM50439170 Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccccc4)c3)c2c1
BDBM50010395 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(C)c3c2)ncc1Cl
BDBM50010397 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCNCC(=C)c3c2)ncc1Cl
BDBM50010398 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(=C)c3c2)ncc1Cl
BDBM50010399 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)C\C(=C/C)c3c2)ncc1Cl
BDBM50010401 CNC(=O)c1ccccc1Nc1nc(Nc2cc3CCCCCN(C)CCc3cc2OC)ncc1Cl
BDBM50010403 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCNCC(C)c3c2)ncc1Cl
BDBM50010414 CCC(=O)N1CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2C(C)C1
BDBM50010434 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(C)c3c2)nc(F)c1Cl
BDBM50010453 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(C)c3c2)nc(N2CCOCC2)c1Cl
BDBM50010455 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(C)c3c2)nc2cccnc12
BDBM50010458 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(C)c3c2)ncc1Cl
BDBM50010459 CC1CN(C)CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C4CC4)n3)cc12
BDBM50010460 CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(C)c3c2)ncc1Cl
BDBM50010394 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(c4ccccc4)c3c2)ncc1Cl
BDBM50010396 CCCCC1CN(C)CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc12
BDBM50010400 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)C\C(=C\C)c3c2)ncc1Cl
BDBM50010402 CNC(=O)c1ccccc1Nc1nc(Nc2cc3CCCCN(C)CCc3cc2OC)ncc1Cl
BDBM50010404 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(CC(=O)N(C)C)CC(C)c3c2)ncc1Cl
BDBM50010418 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(CC(C)c3c2)C(C)=O)ncc1Cl
BDBM50010452 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(C)c3c2)nc(NC)c1Cl
BDBM50010454 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(C)c3c2)nc2sccc12
BDBM50010456 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CCN(C)CC(C)c3c2)nc2ccccc12
BDBM50010457 CC1CN(C)CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)N4CCOCC4)n3)cc12
BDBM50010461 [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CCN(C)CC(C)c3c2)ncc1Cl)C(N)=O |r,c:5|
BDBM50013161 N[C@H]1CCCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1 |r|
BDBM50021618 CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
BDBM50021626 CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
BDBM50018815 C[C@H]1Oc2cc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12 |r|
BDBM50018816 COc1ccc(F)cc1[C@@H](C)Oc1cc(cnc1N)-c1cnnn1C |r|
BDBM50018817 C[C@@H](Oc1cc(cnc1N)-c1cnnn1C)c1cc(F)ccc1-n1nccn1 |r|
BDBM50018818 C[C@@H](Oc1cc(cnc1N)-c1cn(C)nc1C)c1cc(F)ccc1-n1nccn1 |r|
BDBM50018819 CNC(=O)c1ccc(F)cc1[C@@H](C)Oc1cc(cnc1N)-c1cn(C)nc1C |r|
BDBM50018820 C[C@@H](Oc1cc(cnc1N)-c1cn(C)nc1C)c1cc(F)ccc1C(=O)N(C)C |r|
BDBM50018821 COc1ncccc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)n1 |r|
BDBM50018822 CNC(=O)c1ccc(F)cc1[C@@H](C)Oc1nc(cnc1N)-c1cccnc1OC |r|
BDBM50018823 C[C@@H](Oc1cc(cnc1N)-c1cccc(c1)S(C)(=O)=O)c1cc(F)ccc1-n1nccn1 |r|
BDBM50018824 Nc1ncc-2cc1OCc1cc(F)ccc1OCCc1n[nH]c(C#N)c-21
BDBM50018825 Nc1ncc-2cc1OCc1cc(F)ccc1OCCCc1n[nH]c(C#N)c-21
BDBM50018826 Cn1ncc2CCCOc3ccc(F)cc3COc3cc(cnc3N)-c12
BDBM50018827 Cn1ncc2CCCCOc3ccc(F)cc3COc3cc(cnc3N)-c12
BDBM50018828 C[C@H]1Oc2cc(cnc2N)-c2c(CCOc3ccc(F)cc13)nn(C)c2C#N |r|
BDBM50018829 C[C@H]1Oc2cc(cnc2N)-c2c(CCCOc3ccc(F)cc13)nn(C)c2C#N |r|
BDBM50018830 C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nn(C)c2C#N |r|
BDBM50018831 C[C@@H]1Oc2cc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12 |r|
BDBM50018832 CN1Cc2c(c(C)nn2C)-c2cnc(N)c(OCc3cc(F)ccc3C1=O)c2
BDBM50018833 C[C@H]1Oc2nc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12 |r|
BDBM50018834 C[C@@H]1Oc2nc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12 |r|
BDBM50018835 COc1nn(C)c2CN(C)C(=O)c3ccc(F)cc3[C@@H](C)Oc3cc(cnc3N)-c12 |r|
BDBM50018836 COc1nn(C)c2CN(C)C(=O)c3ccc(F)cc3[C@@H](C)Oc3nc(cnc3N)-c12 |r|
BDBM50018837 C[C@H]1Oc2cc(cnc2N)-c2cc(ccc2CN(C)C(=O)c2ccc(F)cc12)S(C)(=O)=O |r|
BDBM50018838 C[C@H]1Oc2nc(cnc2N)-c2cc(ccc2CN(C)C(=O)c2ccc(F)cc12)S(C)(=O)=O |r|
BDBM50018839 C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2CN(C)C(=O)c2ccc(F)cc12)C1CC1 |r|
BDBM50018841 C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nc1ncc(C)cn21 |r|
BDBM50018842 C[C@H]1Oc2nc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nc1ccc(cn21)C#N |r|
BDBM50020310 CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
BDBM50062357 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N(C)C
BDBM50084464 CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1 |r|
BDBM175243 COc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3)c2n1)N1CCN(CC1)C(C)C
BDBM175244 COc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3)c2n1
BDBM175245 COc1ccccc1-c1c(sc2cnc(Nc3ccc(cc3OC(C)C)C3CCN(C)CC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM175246 CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3OC(F)(F)F)c2n1)C1CCN(C)CC1 |(5.2,-4.38,;6.53,-5.15,;6.53,-6.69,;7.87,-4.38,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;6.53,-2.07,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;-2.25,-4.33,;-2.73,-5.8,;-1.7,-6.94,;-.19,-6.62,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;3.85,-7.13,;3.97,-4.95,;1.68,-7.01,;1.2,-2.07,;2.53,-2.84,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,)|
BDBM175259 COc1ccccc1-c1c(sc2cnc(Nc3cc4CCCC(=O)N(C)c4cc3OC(C)C)nc12)C(N)=O |(3.49,-4.12,;3.01,-5.58,;4.04,-6.72,;5.55,-6.4,;6.58,-7.55,;6.11,-9.01,;4.6,-9.33,;3.57,-8.19,;2.06,-8.51,;1.44,-9.92,;-.1,-9.76,;-.42,-8.25,;-1.75,-7.48,;-1.75,-5.94,;-.42,-5.17,;-.42,-3.63,;.92,-2.86,;2.25,-3.63,;3.59,-2.86,;4.79,-3.82,;6.29,-3.48,;6.96,-2.09,;6.29,-.7,;7.25,.5,;4.79,-.36,;4.45,1.14,;3.59,-1.32,;2.25,-.55,;.92,-1.32,;-.42,-.55,;-1.75,-1.32,;-1.75,-2.86,;-3.08,-.55,;.92,-5.94,;.92,-7.48,;2.21,-11.25,;3.75,-11.25,;1.44,-12.58,)|
BDBM175260 COc1ccc(F)cc1-c1c(CO)sc2cnc(Nc3ccc(cc3OC(C)C)N3CCN(C)CC3)nc12 |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-4.23,-6.12,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-2.71,-1.3,;-3.48,.03,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,)|
BDBM175261 COc1ccccc1-c1c(sc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12)C(C)(C)O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;9.2,-5.15,;5.2,-9,;6.53,-9.77,;6.53,-11.31,;5.2,-12.08,;5.2,-13.62,;3.86,-11.31,;3.86,-9.77,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-4.25,-1.3,;-2.71,.24,;-2.71,-2.84,)|
BDBM50044299 CNC(=O)c1cccc(F)c1Nc1nc(Nc2cccc(NC(=O)CNC(=O)OC(C)(C)C)c2)ncc1Cl
BDBM50044300 CNC(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CNC(=O)N3CCCC3)c2)ncc1Cl
BDBM175247 COc1ccccc1-c1c(sc2cnc(Nc3cnc(cc3OC(C)C)C3CCN(C)CC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM175248 COc1ncccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCN(C)CC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;6.53,-9.77,;6.53,-11.31,;5.2,-12.08,;5.2,-13.62,;3.86,-11.31,;3.86,-9.77,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM175249 CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccoc3C)c2n1)C1CCN(C)CC1 |(6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;7.87,-4.38,;6.53,-5.15,;6.53,-6.69,;5.2,-7.46,;3.86,-6.69,;3.86,-5.15,;5.2,-4.38,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;.16,-5.26,;-.74,-6.51,;-2.21,-6.03,;-2.21,-4.49,;-3.45,-3.58,;1.2,-2.07,;2.53,-2.84,;5.2,-9,;6.53,-9.77,;6.53,-11.31,;5.2,-12.08,;5.2,-13.62,;3.86,-11.31,;3.86,-9.77,)|
BDBM175250 COc1ccccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCC(C3)N(C)C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;3.95,-9.91,;4.43,-11.37,;5.97,-11.37,;6.44,-9.91,;6.87,-12.62,;8.4,-12.46,;6.25,-14.03,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM50044328 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C(C)(C)N)c2)ncc1Cl
BDBM50044301 CNC(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CNC(=O)C3CCCN3)c2)ncc1Cl
BDBM50044303 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl
BDBM50044304 [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl)C(=O)NC |r,c:5|
BDBM50044305 CS(=O)(=O)Nc1ccccc1Nc1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl
BDBM50044307 CS(=O)(=O)N1CCN(c2ccccc12)c1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl
BDBM50044325 C[C@H](N)C(=O)Nc1cccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1 |r|
BDBM50044326 CC(C)[C@H](N)C(=O)Nc1cccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1 |r|
BDBM175251 CCN1CCC(CC1)c1cc(Nc2ncc3sc(C(N)=O)c(-c4ccccc4OC(F)(F)F)c3n2)n(n1)C(C)C |(9.8,6.65,;10.7,5.41,;10.08,4,;8.55,3.84,;7.92,2.43,;8.83,1.19,;10.36,1.35,;10.98,2.75,;8.2,-.22,;6.69,-.54,;6.53,-2.07,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;-2.25,-4.33,;-2.73,-5.8,;-1.7,-6.94,;-.19,-6.62,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;3.85,-7.13,;3.97,-4.95,;1.68,-7.01,;1.2,-2.07,;2.53,-2.84,;7.94,-2.7,;8.97,-1.55,;8.26,-4.21,;7.11,-5.24,;9.72,-4.68,)|
BDBM175252 COc1ccccc1-c1c(sc2cnc(Nc3ccc(cc3OC(C)C)-c3cnn(C)c3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;11.94,-.39,;12.97,.76,;12.2,2.09,;12.83,3.5,;10.69,1.77,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM175253 COc1ncccc1-c1c(sc2cnc(Nc3cc(F)c(cc3OC(C)C)C3CCN(C)CC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;10.53,-2.84,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM175254 COc1ncccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)-n3ccnc3C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;3.95,-9.91,;4.43,-11.37,;5.97,-11.37,;6.44,-9.91,;7.91,-9.43,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM50044327 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C3(N)CC3)c2)ncc1Cl
BDBM50044329 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)[C@@H](N)Cc3c[nH]cn3)c2)ncc1Cl |r|
BDBM50044374 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CCN)c2)ncc1Cl
BDBM50044416 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CCCN)c2)ncc1Cl
BDBM50044423 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C3CNC3)c2)ncc1Cl
BDBM50044428 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C3CN(C3)C(=O)CCCN(C)C)c2)ncc1Cl
BDBM50044434 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCOCC3)c2)ncc1Cl
BDBM175255 COc1ccccc1-c1c(sc2cnc(Nc3ccc(CN4CCN(C)CC4)cc3OC(C)C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;10.53,.24,;11.87,-.53,;13.2,.24,;14.53,-.53,;14.53,-2.07,;15.87,-2.84,;13.2,-2.84,;11.87,-2.07,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM175256 COc1ccccc1-c1c(sc2cnc(Nc3ccc(NC4CCOCC4)cc3OC(C)C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;10.53,.24,;11.87,-.53,;11.87,-2.07,;13.2,-2.84,;14.53,-2.07,;14.53,-.53,;13.2,.24,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM175257 COc1ncc(F)cc1-c1c(sc2cnc(Nc3cc(nn3C(C)C)C3CCOCC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-4.23,-6.12,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.95,-5.29,;4.43,-6.75,;5.97,-6.75,;6.44,-5.29,;7.91,-4.81,;8.23,-3.31,;9.05,-5.84,;3.52,-8,;1.99,-7.84,;1.09,-9.08,;1.71,-10.49,;3.24,-10.65,;4.15,-9.41,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM175258 COc1ncccc1-c1c(sc2cnc(Nc3cccc(N4CCN(C)CC4)c3OC(C)C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;5.2,-7.46,;6.53,-6.69,;7.87,-7.46,;9.2,-6.69,;10.53,-7.46,;10.53,-9,;11.87,-9.77,;9.2,-9.77,;7.87,-9,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)|
BDBM50048357 Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048362 Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048364 OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
BDBM50044459 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3C[C@H](C)O[C@H](C)C3)c2)ncc1Cl |r|
BDBM50044460 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCNCC3)c2)ncc1Cl
BDBM50044461 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCN(C)CC3)c2)ncc1Cl
BDBM50044462 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCN(CC3)C3COC3)c2)ncc1Cl
BDBM50044463 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCN(CC3)C(=O)\C=C\CN(C)C)c2)ncc1Cl
BDBM50044464 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCN(CC3)C(=O)CO)c2)ncc1Cl
BDBM50048365 Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
BDBM50048374 CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
BDBM50044465 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC4CC3CN4)c2)ncc1Cl
BDBM50044466 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC4CCC(C3)O4)c2)ncc1Cl
BDBM50044467 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC4CC3CC4O)c2)ncc1Cl
BDBM50044469 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CC4CNCC4C3)c2)ncc1Cl
BDBM50044470 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)Cc3ccco3)c2)ncc1Cl
BDBM50044471 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)Cc3cc4ccccc4[nH]3)c2)ncc1Cl
BDBM193448 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC)N2CCN(C)CC2)n1)N1CCN(CC1)C(C)=O
BDBM193449 CCNC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2F)c(OC)c1
BDBM193450 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)OC(C)(C)C)n1)N1CCN(CC1)C(C)=O
BDBM193451 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC(F)F)N2CCNCC2)n1)N1CCN(CC1)C(C)=O
BDBM193452 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)N1CCN(CC1)C(C)=O
BDBM193453 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193454 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)N1CCN(CC1)C(C)=O
BDBM193455 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC(F)F)N2CCNCC2)n1)N1CCN(CC1)C(C)=O
BDBM193456 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC(F)F)N2CCN(C)CC2)n1)N1CCN(CC1)C(C)=O
BDBM193457 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)N1CCN(CC1)C(C)=O
BDBM193458 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)S(C)(=O)=O)n1)N1CCN(CC1)C(C)=O
BDBM193459 COC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2F)c(OC(F)F)c1
BDBM193460 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC(F)F)N2CCN(CCO)CC2)n1)N1CCN(CC1)C(C)=O
BDBM193461 CCNC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2F)c(OC(F)F)c1
BDBM193462 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(=O)CO)n1)N1CCN(CC1)C(C)=O
BDBM193463 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM179128 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCn3ccnc3)cc12
BDBM179129 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCC(=O)NCCc3ccncc3)cc12
BDBM193464 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2NC(C)(C)C)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193465 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2Nc2ccccc2)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193466 CCC(=O)N(C)c1cc(ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCNCC1
BDBM193467 CCCC(=O)N(C)c1cc(ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCNCC1
BDBM193468 CCC(=O)N(C)c1cc(ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM179131 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCN3CCN(CC3)C(=O)CO)cc12
BDBM179132 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OC[C@@H](O)CN3CCCCC3)cc12 |r|
BDBM179133 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCNC[C@@H](O)CO)cc12 |r|
BDBM179134 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCC(=O)NCCN(CCO)CCO)cc12
BDBM179135 CN(C)CCCNC(=O)COc1ccc2C(=O)c3c(oc4ccccc34)C(C)(C)c2c1
BDBM179136 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCC(=O)NCCN3CCNCC3)cc12
BDBM193469 CCCC(=O)N(C)c1cc(ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM193470 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM193471 CCC(=O)N(C)c1cc(ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F)N1CCN(CC1)C(C)=O
BDBM193472 CCCC(=O)N(C)c1cc(ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(C)=O
BDBM193473 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
BDBM60614 CCN(CC)CCOc1ccc2C(=O)c3c(n(C)c4cc(NC(=O)Cc5ccccc5)ccc34)C(C)(C)c2c1
BDBM179137 CN(C)CC(=O)NCCOc1ccc2C(=O)c3c(oc4ccccc34)C(C)(C)c2c1
BDBM179138 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCN3CC[N+](C)(C)CC3=O)cc12
BDBM179139 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCN3CCCC(O)C3)cc12
BDBM179140 CCN(CCO)CCOc1ccc2C(=O)c3c(oc4ccccc34)C(C)(C)c2c1
BDBM179141 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCNC3(CO)CCCC3)cc12
BDBM179142 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCC3CC(O)CN3)cc12
BDBM179143 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OC3CCCNC3)cc12
BDBM193474 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCNCC2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
BDBM193475 CCNC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2C(F)(F)F)c(OC)c1
BDBM193476 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
BDBM193477 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(C)CC2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
BDBM193478 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)S(C)(=O)=O)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
BDBM179144 CCN(C)CCOc1ccc2C(=O)C3C(Oc4cc(F)ccc34)C(C)(C)c2c1
BDBM179145 CCN(CC)CCOc1ccc2C(=O)c3c(oc4cccc(F)c34)C(C)(C)c2c1
BDBM179146 CC(C)N(CCSc1ccc2C(=O)c3c(oc4ccccc34)C(C)(C)c2c1)C(C)C
BDBM179147 CCN(CC)CCOc1ccc2C(=O)c3c(oc4cc(O)ccc34)C(C)(C)c2c1
BDBM179148 CC1(C)c2oc3cc(OCCCCO)ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12 |r|
BDBM179149 CC(C)Oc1ccc2c3c(oc2c1)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O |r|
BDBM179150 COCCCCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O |r|
BDBM193479 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CCO)CC2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
BDBM193480 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(CC1)C(=O)OC(C)(C)C
BDBM193481 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCNCC1
BDBM193482 CCNC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)n2)C(F)(F)F)c(OC)c1
BDBM193483 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(CC1)C(=O)CO
BDBM179151 CC1(C)c2oc3cc(OC[C@@H](O)CO)ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12 |r|
BDBM179152 CC1(C)c2oc3cc(OC[C@H](O)CO)ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12 |r|
BDBM179153 CC1(C)c2oc3cc(OC(=O)NCc4ccccc4)ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12 |r|
BDBM179154 CN(C(=O)Oc1ccc2c3c(oc2c1)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O)c1ccccc1 |r|
BDBM179155 CCN(CC)CCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OC)ccc1C3=O
BDBM179156 CC1(C)c2oc3cc(OCC(=O)Nc4ccccc4)ccc3c2C(=O)c2ccc(OC[C@H](O)CO)cc12 |r|
BDBM60615 Cn1c2c(C(=O)c3ccc(OC[C@@H](O)[C@H](O)CO)cc3C2(C)C)c2ccc(cc12)C(=O)Nc1ccccc1 |r|
BDBM193484 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(C)CC1
BDBM193485 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(CC1)S(C)(=O)=O
BDBM193486 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(CCO)CC1
BDBM193487 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCNCC2)n1)C(F)(F)F)N1CCNCC1
BDBM193488 COC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)OC)n2)C(F)(F)F)c(OC)c1
BDBM179157 CC(C)(C)c1ccc(NC(=O)Oc2ccc3c4c(oc3c2)C(C)(C)c2cc(OC[C@H](O)CO)ccc2C4=O)cc1 |r|
BDBM179158 CC(C)(C)c1ccccc1NC(=O)Oc1ccc2c3c(oc2c1)C(C)(C)c1cc(OC[C@H](O)CO)ccc1C3=O |r|
BDBM179159 CCN(CC)CCOc1ccc2c(c1)C(=O)c1c(oc3ccccc13)C2(C)C
BDBM179160 OC[C@@H](O)[C@H](O)COc1ccc2C(=O)c3c(oc4ccccc34)C3(CCCCC3)c2c1 |r|
BDBM179161 CCN(CC)CCOc1ccc2C(=O)c3c(oc4ccccc34)C3(CCOCC3)c2c1
BDBM179162 COCn1ccnc1-c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OC[C@H](O)CO)ccc1C3=O |r|
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM193489 CCNC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)NCC)n2)C(F)(F)F)c(OC)c1
BDBM193490 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)C(F)(F)F)N1CCN(CC1)C(=O)CO
BDBM193491 CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(c(Nc3ccc(cc3OC(F)F)N3CCN(CC3)C(C)=O)n2)C(F)(F)F)c(OC(F)F)c1
BDBM193492 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2Cl)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193493 CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccc(cc3Cl)N3CCN(CC3)C(C)=O)n2)c(Cl)c1
BDBM193494 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2Oc2ccccc2)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193495 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCNCC2)n1)N1CCNCC1
BDBM193496 CCNC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)NCC)n2)c(OC)c1
BDBM193497 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)S(C)(=O)=O)n1)N1CCN(CC1)S(C)(=O)=O
BDBM193498 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)N1CCN(CC1)C(=O)CO
BDBM193499 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2F)N2CCNCC2)n1)N1CCN(CC1)C(C)=O
BDBM193500 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2F)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193501 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(=O)CO
BDBM193502 COC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)n2)c(OC)c1
BDBM193503 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CCO)CC1
BDBM193504 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)S(N)(=O)=O
BDBM193505 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)S(C)(=O)=O
BDBM193419 CCOc1cc(ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(C)=O
BDBM193420 CCCOc1cc(ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(C)=O
BDBM193421 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC(C)C)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193422 CCCOc1cc(ccc1Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(C)=O
BDBM193423 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193424 CCOc1cc(ccc1Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(C)=O
BDBM193506 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(=O)CO)n1)N1CCN(CC1)C(C)=O
BDBM193507 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC(F)F)N2CCN(CC2)C(C)=O)n1)N1CCNCC1
BDBM193425 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193426 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193427 CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)n2)cc1
BDBM193428 COc1cc(ccc1Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1Cl)N1CCN(CC1)C(C)=O
BDBM193429 COc1cc(ccc1Nc1ncc(c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
BDBM193430 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCNCC2)n1)N1CCN(CC1)C(C)=O
BDBM193431 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)S(C)(=O)=O)n1)N1CCN(CC1)C(C)=O
BDBM193432 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)CO)n1)N1CCN(CC1)C(C)=O
BDBM193433 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)OC(C)(C)C)n1)N1CCN(CC1)C(C)=O
BDBM193434 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CCO)CC2)n1)N1CCN(CC1)C(C)=O
BDBM193435 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OCc2ccccc2)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM179115 Cn1c2c(C(=O)c3ccc(OC[C@H](O)CO)cc3C2(C)C)c2ccc(OC3COC3)cc12 |r|
BDBM179116 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC[C@H](O)CO)cc12)-c1cccs1 |r|
BDBM179117 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC[C@H](O)CO)cc12)-c1ccn[nH]1 |r|
BDBM179120 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OC[C@@H](O)CO)cc12 |r|
BDBM60621 CC1(C)c2oc3cc(OCC(=O)Nc4ccccc4)ccc3c2C(=O)c2ccc(OC[C@@H](O)CO)cc12 |r|
BDBM193436 COc1cc(ccc1Nc1ncc(Br)c(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193437 COc1cc(ccc1Nc1ccnc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM193438 COC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2Cl)c(OC)c1
BDBM193439 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)S(N)(=O)=O)n1)N1CCN(CC1)C(C)=O
BDBM193440 CCC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2Cl)c(OC)c1
BDBM193441 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)C(C)(C)C)n1)N1CCN(CC1)C(C)=O
BDBM179121 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OC[C@H](O)CO)cc12 |r|
BDBM179122 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCN3CCCCCC3)cc12
BDBM179123 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCN3CCNCC3)cc12
BDBM179124 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCN3CCN(CC3)S(C)(=O)=O)cc12
BDBM179125 CC(=O)N1CCN(CCOc2ccc3C(=O)c4c(oc5ccccc45)C(C)(C)c3c2)CC1
BDBM179126 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)COc1ccc2C(=O)c3c(oc4ccccc34)C(C)(C)c2c1
BDBM179127 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCOCCOCCO)cc12
BDBM193442 COc1cc(ccc1Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)ncc1F)N1CCN(CC1)C(C)=O
BDBM193443 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC)N2CCNCC2)n1)N1CCN(CC1)C(C)=O
BDBM193444 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC)N2CCN(CC2)S(C)(=O)=O)n1)N1CCN(CC1)C(C)=O
BDBM193445 COC(=O)N1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(cc3OC)N3CCN(CC3)C(C)=O)ncc2F)c(OC)c1
BDBM193446 COc1cc(ccc1Nc1ncc(F)c(Nc2ccc(cc2OC)N2CCN(CCO)CC2)n1)N1CCN(CC1)C(C)=O
BDBM193447 CCOc1cc(ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)=O)ncc1F)N1CCN(CC1)C(C)=O
BDBM50025753 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(O)=O)ncc1Cl
BDBM50025754 CCOC(=O)c1csc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)n1
BDBM50025756 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(C)Cc3s2)ncc1Cl
BDBM50025757 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCNCc3s2)ncc1Cl
BDBM50025758 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CCN4CCOCC4)CCc3s2)ncc1Cl
BDBM50025760 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CC4CCOCC4)CCc3s2)ncc1Cl
BDBM50025761 CNC(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CCc3s2)C2COC2)ncc1Cl
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50025773 CNC(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CCc3s2)C2=COC2)ncc1Cl |t:28|
BDBM50025775 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CCc3s2)C(=O)CO)ncc1Cl
BDBM50025776 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(C)CCc3s2)ncc1Cl
BDBM50025777 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CCc3s2)C(C)=O)ncc1Cl
BDBM50025778 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCNCCc3s2)ncc1Cl
BDBM50025779 CNC(=O)c1ccccc1Nc1nc(Nc2nc3CCNCCc3s2)ncc1Cl
BDBM60616 CN(C)C(=O)c1ccc2c3c(n(C)c2c1)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O |r|
BDBM50025676 [H][C@@]12CN(C)C[C@]1([H])CN(C2)C(=O)c1cnc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)s1 |r|
BDBM50025677 [H][C@@]12CN(C)C[C@]1([H])CN(C2)C(=O)Cc1csc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)n1 |r|
BDBM50025692 [H][C@@]12CN(C)C[C@]1([H])CN(C2)C(=O)c1csc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)n1 |r|
BDBM50025693 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)N2CC3(C2)CCNCC3)ncc1Cl
BDBM50025694 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)N2CC3CCC(C2)O3)ncc1Cl
BDBM50025728 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)N2CCOCC2)ncc1Cl
BDBM50025732 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)N2CCCCC2)ncc1Cl
BDBM50025746 COc1cc(NC(=O)c2csc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)n2)cc(OC)c1OC
BDBM50025747 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(cs2)C(=O)NCCN2CCOCC2)ncc1Cl
BDBM50025748 CNC(=O)c1csc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)n1
BDBM50025751 COC(=O)c1csc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)n1
BDBM50025741 CCN(CC)C(=O)c1csc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)n1
BDBM50025750 CCCCOC(=O)c1csc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)n1
BDBM50025755 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CC(=O)N4CCOCC4)Cc3s2)ncc1Cl
BDBM50025759 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc3CCN(CCc3s2)C(=O)C2CCOCC2)ncc1Cl
BDBM50025774 CCOC(=O)N1CCc2nc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)sc2CC1
BDBM158154 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
BDBM158155 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
BDBM158156 COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
BDBM158157 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCCCC2)c1
BDBM178968 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(c(cc12)N1CCC(CC1)N1CCCC1)S(=O)(=O)N1CCCC1)C#N
BDBM178969 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(c(OC3CCOCC3)cc12)S(=O)(=O)N1CCOCC1)C#N
BDBM178970 CN1CCC(CC1)Oc1cc2c(cc1[N+]([O-])=O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
BDBM178971 CN1CCC(CC1)Oc1cc2c(cc1N)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
BDBM178972 CN1CCC(CC1)Oc1cc2c(cc1NS(C)(=O)=O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
BDBM178973 COc1cc2c(cc1SC(C)C)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
BDBM179799 CC(c1c(Cl)[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
BDBM50062365 Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCO)nc(n1)-c1cccnc1
BDBM50062367 COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCN2CCOCC2)nc(n1)-c1cccnc1
BDBM50062369 COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCN2CCOCC2)nc(n1)-c1cccnc1
BDBM50062370 Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCN2CCOCC2)nc(n1)-c1cccnc1
BDBM178974 CCN(CC)CCS(=O)(=O)c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1OC
BDBM178975 COc1cc2c(cc1C#CC(O)=O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
BDBM178976 COc1cc2c(cc1CCC(C)(C)O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
BDBM178977 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(OC3CCN(CC3)S(C)(=O)=O)cc12)C#N
BDBM178978 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCC(N)CC1)C#N
BDBM178979 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(OC3CCN(CC3)C3COC3)cc12)C#N
BDBM178980 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCN(CC1)C1COC1)C#N
BDBM179801 Fc1ccc(Cl)c(Sc2n[nH]c3ncc(cc23)-c2cnn(c2)C2CCNCC2)c1Cl
BDBM179802 Fc1ccc(Cl)c(c1Cl)C1(CC1)c1n[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
BDBM179803 CC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
BDBM50062371 Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCN2CCOCC2)nc(n1)-c1cccnc1
BDBM50062373 Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCCO)nc(n1)-c1cccnc1
BDBM178981 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCN(CC1)C1CCS(=O)(=O)CC1)C#N
BDBM178982 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Br)c(cc12)N1CCN(CC1)C1CCC1)C#N
BDBM178983 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCOCC1)C#N
BDBM178984 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CCN3CCOCC3)c(cc12)N1CCOCC1)C#N
BDBM178985 Cn1cc(cn1)-c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCOCC1
BDBM178986 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C=C)c(cc12)N1CCOCC1)C#N
BDBM179804 CC(Sc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
BDBM178987 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CCN3CCN(CC3)C3COC3)c(cc12)N1CCN(CC1)C1COC1)C#N
BDBM178988 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CC3CC3)c(cc12)N1CCN(CC1)C1COC1)C#N
BDBM178989 CC(C)CCC#Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
BDBM178990 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C3=CCNCC3)c(cc12)N1CCC(CC1)N1CCCC1)C#N |t:19|
BDBM178991 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(-c3ccccc3)c(cc12)N1CCN(CC1)C1CC1)C#N
BDBM178992 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#C)c(cc12)N1CCN(CC1)C1CCC1)C#N
BDBM60620 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCC(=O)NCCOCCO)cc12
BDBM178993 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C#CC3CCC3)c(cc12)N1CCN(CC1)C1CCC1)C#N
BDBM178994 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(C3CC3)c(cc12)N1CCN(CC1)C1CCC1)C#N
BDBM178995 CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CCCCO)CC1
BDBM178996 CCCCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
BDBM178997 CC(C)OCC#Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1COC1
BDBM178998 CCCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1
BDBM60619 CCN(CC)C(=O)COc1ccc2C(=O)c3c(oc4ccccc34)C(C)(C)c2c1
BDBM60623 COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2[nH]ccc2c1)C(F)(F)F |r|
BDBM178999 CC1(C)c2[nH]c3ncccc3c2C(=O)c2ccc(cc12)N1CCC(CC1)N1CCCC1
BDBM179000 CCN(CC)CCOc1cc2c(cc1C(C)=O)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
BDBM179001 CC(=O)c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C(C)(C)C#C
BDBM179002 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Cl)c(cc12)N1CCC(CC1)N1CCOCC1)C#N
BDBM179003 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Cl)c(cc12)N1CCC(CC1)NS(C)(=O)=O)C#N
BDBM179004 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCC(CC1)N1CCCC1)C#N
BDBM179005 CC(C)N1CCN(CC1)c1ccc2c(c1)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
BDBM179006 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCCC1)C#N
BDBM179007 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)N1CCC[C@H]1CN1CCCC1)C#N |r|
BDBM179008 CC(C)(O)C#Cc1ccc2c(c1)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C
BDBM179009 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1=CCNCC1)C#N |t:24|
BDBM179010 CC(C)N1CCC(Cc2ccc3c(c2)C(=O)c2c([nH]c4cc(ccc24)C#N)C3(C)C)CC1
BDBM179011 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(OCCOCCC(O)=O)ccc12)C#N
BDBM50044298 CNC(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl
BDBM50044302 CNC(=O)c1cccc(F)c1Nc1nc(Nc2cccc(NC(=O)CNC(=O)NC(C)(C)C)c2)ncc1Cl
BDBM50044306 CN(c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl)S(C)(=O)=O
BDBM179012 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(OCc3cccnc3)ccc12)C#N
BDBM179013 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(ccc12)C1=CCN(CC1)C1CC1)C#N |t:24|
BDBM50044422 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)C3CCN3)c2)ncc1Cl
BDBM50044468 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CN3CCC4CNCC34)c2)ncc1Cl
BDBM178913 CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178914 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCN3CCNC3=O)cc12)C#N
BDBM178915 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC3COC3)cc12)C#N
BDBM178916 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(Oc3ncccn3)cc12)C#N
BDBM178917 CCOC(=O)COc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178918 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCN)cc12)C#N
BDBM178919 CS(=O)CCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178920 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(C#N)c(Br)cc34)C(C)(C)c2c1
BDBM178921 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCC(O)=O)cc12)C#N
BDBM178922 CC(C)(C)NCCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178923 CC(C)(CO)NCCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178924 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCNS(=O)(=O)N3CCOCC3)cc12)C#N
BDBM178925 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCC3CCN(CC3)C3COC3)cc12)C#N
BDBM50033376 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C(\F)=C\CN(C)C
BDBM178926 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCNS(C)(=O)=O)cc12)C#N
BDBM178927 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCCNS(N)(=O)=O)cc12)C#N
BDBM178928 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC3CCN(CCO)CC3)cc12)C#N
BDBM178929 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC3CCN(CCF)CC3)cc12)C#N
BDBM178930 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCC(N)=O)cc12)C#N
BDBM178931 CC1(C)OCC(CNC(=O)COc2ccc3C(=O)c4c([nH]c5cc(ccc45)C#N)C(C)(C)c3c2)O1
BDBM178932 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCC(=O)NCC(O)CO)cc12)C#N
BDBM178933 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCC(=O)N3CCNCC3)cc12)C#N
BDBM178934 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OCC(=O)NCCC#N)cc12)C#N
BDBM178935 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(C1)S(C)(=O)=O)C#N
BDBM178936 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCS(=O)(=O)CC1)C#N
BDBM178937 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1=O)C1CCCC1)C#N
BDBM178938 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCC(CC1)N1CCC(F)(F)CC1)C#N
BDBM178939 C[C@H]1CN(CCN1c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1)C1CCC1 |r|
BDBM178940 Cn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178941 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(C=C)cc12)C#N
BDBM178942 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(CC3CCN(CC3)S(N)(=O)=O)cc12)C#N
BDBM178943 CC(C)N1CCC(Cc2ccc3C(=O)c4c([nH]c5cc(ccc45)C#N)C(C)(C)c3c2)CC1
BDBM178944 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(O)=O)C#N
BDBM178945 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)S(N)(=O)=O)C#N
BDBM178946 CN(C)S(=O)(=O)N1CCN(CC1)c1ccc2C(=O)c3c(n(C)c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178947 CC(C)N(CCS(=O)(=O)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1)C(C)C
BDBM178948 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)S(=O)(=O)CCC(O)=O)C#N
BDBM178949 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(O)CO)C#N
BDBM178950 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(=O)N1CCOCC1)C#N
BDBM178951 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(=O)N1CCN(CC1)S(C)(=O)=O)C#N
BDBM178952 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(=O)NCCS(C)(=O)=O)C#N
BDBM178953 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(=O)NC1CCS(=O)(=O)C1)C#N
BDBM178954 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(=O)N(CCO)CCO)C#N
BDBM178955 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(=O)NC1COC1)C#N
BDBM178956 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(=O)NOCCO)C#N
BDBM178957 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(=O)NCCNS(N)(=O)=O)C#N
BDBM178958 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C(=O)N1CCN(CCO)CC1)C#N
BDBM178959 CC(C)(C)N1CCN(CC1)C(=O)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178960 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc12)C#N
BDBM50079565 Fc1ccc2ccn(-c3ccc(=O)n(CCOc4ccnc5cc(OCCCN6CCOCC6)ccc45)n3)c2c1
BDBM178961 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(CN3CCN(CC3)S(C)(=O)=O)cc12)C#N
BDBM178962 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(CNCC(F)(F)F)cc12)C#N
BDBM178963 CC(C)N1CCC(CC1)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178964 CCNC(=O)N1CCC(CC1)c1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178965 COc1cc2c(cc1S(=O)(=O)N1CCN(C)CC1)C(=O)c1c([nH]c3cc(Br)ccc13)C2(C)C
BDBM178966 CN(C)S(=O)(=O)Oc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2c1
BDBM178967 CN(C)S(=O)(=O)c1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CCO)CC1
BDBM179798 CC(c1c(C)[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
BDBM60617 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCCCCC(O)=O)cc12
BDBM60613 CCN(CC)CCOc1ccc2C(=O)c3c(n(C)c4cc(C)ccc34)C(C)(C)c2c1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM179056 COc1ccc2C(=O)c3c([nH]c4c(N)c(ccc34)C#N)C(C)(C)c2c1
BDBM179057 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cccc(OC[C@@H](O)CO)c12)C#N |r|
BDBM179058 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4ccccc34)C3(CCNCC3)c2c1
BDBM179059 CC1(C)c2[nH]c3cc(Cl)c(Cl)cc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12 |r|
BDBM179060 CCN(CC)CCOc1ccc2C(=O)c3c(sc4ccccc34)C(C)(C)c2c1
BDBM179061 COCCOc1cc2C(=O)c3c(n(CCOC)c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
BDBM179062 CCOc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
BDBM50062380 COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCCO)nc(n1)-c1cccnc1
BDBM50062382 COc1cc(C)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCCO)nc(n1)-c1cccnc1
BDBM179063 CCN(CC)CCOc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
BDBM179064 CCC(CC)Oc1cc2C(=O)c3c(n(C)c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1
BDBM179065 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(OC3CCOCC3)c(cc12)N1CCN(CC1)C1CCC1)C#N
BDBM179066 COCCOc1cc2c(cc1OC(C)C)C(=O)c1c(n(CCOC)c3cc(ccc13)C#N)C2(C)C
BDBM179067 CC(C)Oc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1OC=C
BDBM179068 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)N1CCN(CC1)C(=O)C1CC1)C#N
BDBM179069 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C(=O)CN(C)C
BDBM179070 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C(=O)C1CCCCC1
BDBM179071 C[C@H]1CN(C[C@@H](C)N1C1CCC1)c1cc2c(cc1Br)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C |r|
BDBM179072 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCC1
BDBM179073 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCC(O)CC1
BDBM179074 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(O)(CC1)C1CC1
BDBM179075 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCN(C)CC1
BDBM179076 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)NCCCO
BDBM179077 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)OCCC1CCCCC1
BDBM179078 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)NC1CCCCC1
BDBM179079 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)NCC1CC1
BDBM179080 CCc1cc2C(=O)c3c([nH]c4cc(NC(=O)c5ccccc5)ccc34)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
BDBM179081 CCc1cc2C(=O)c3c([nH]c4cc(NC(C)=O)ccc34)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1
BDBM179082 C[C@H]1CN(C[C@@H](C)O1)C1CCN(CC1)c1cc2c(cn1)C(=O)c1c([nH]c3cc(ccc13)C(N)=O)C2(C)C |r|
BDBM179083 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cnc(cc12)N1CCC(CC1)N1CCCCC1)C#N
BDBM179084 CC(C)C1(CCN(CC1)c1cc2c(cn1)C(=O)c1c([nH]c3cc(ccc13)C#N)C2(C)C)N1CCOCC1
BDBM179085 CCCC1(CCC1)N1CCN(CC1)c1cc2c(cn1)C(=O)c1c([nH]c3cc(ccc13)C(N)=O)C2(C)C
BDBM179086 CCc1cc2C(=O)c3c([nH]c4nc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC1)C1CCC1
BDBM179087 CCc1cc2C(=O)c3c([nH]c4nc(ccc34)C(=O)N3CCOCC3)C(C)(C)c2cc1N1CCOCC1
BDBM179088 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2n1
BDBM179089 CCN(CC)CCOc1ccc2C(=O)c3c(n(CCN(CC)CC)c4cc(ccc34)C#N)C(C)(C)c2n1
BDBM179090 CCN(CC)CCOc1ccc2C(=O)c3c(oc4cc(ccc34)C#N)C(C)(C)c2n1
BDBM179091 CCCn1c2c(C(=O)c3ccc(OCCN(CC)CC)cc3C2(C)C)c2ccccc12
BDBM179092 CCN(CC)CCOc1ccc2C(=O)c3c(n(c4ccccc34)S(C)(=O)=O)C(C)(C)c2c1
BDBM179094 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(ccc34)C(F)(F)F)C(C)(C)c2c1
BDBM179095 CCN(CC)CCOc1ccc2C(=O)c3c(n(CCN(CC)CC)c4cc(ccc34)[N+]([O-])=O)C(C)(C)c2c1
BDBM179096 CC1(C)c2[nH]c3ccc(cc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12)C#N |r|
BDBM179097 COc1ccc2c3c(n(C)c2c1)C(C)(C)c1cc(OC[C@H](O)CO)ccc1C3=O |r|
BDBM179098 CC1(C)c2[nH]c3cc(OC(F)(F)F)ccc3c2C(=O)c2cc(Br)c(OC[C@H](O)CO)cc12 |r|
BDBM179099 CC1(C)c2[nH]c3cccc(Cl)c3c2C(=O)c2cc(Br)c(OC[C@H](O)CO)cc12 |r|
BDBM179100 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(NC(=O)Nc5ccccc5)ccc34)C(C)(C)c2c1
BDBM179101 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(NC(=O)Cc5ccccc5)ccc34)C(C)(C)c2c1
BDBM179102 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc34)C(C)(C)c2c1
BDBM179103 CCN(CC)CCOc1ccc2C(=O)c3c([nH]c4cc(NC(=O)Oc5ccccc5)ccc34)C(C)(C)c2c1
BDBM179104 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12)C(=O)Nc1ccccc1 |r|
BDBM179105 CN(C)C(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O |r|
BDBM179106 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12)C(=O)OCCO |r|
BDBM179108 COCCNC(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O |r|
BDBM179109 CNC(=O)c1ccc2c3c([nH]c2c1)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O |r|
BDBM179110 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12)C(=O)NCc1ccccc1 |r|
BDBM179111 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12)C(O)=O |r|
BDBM179112 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12)C(=O)Nc1ccccn1 |r|
BDBM179014 CC1(C)c2[nH]c3cc(Br)ccc3c2C(=O)c2cc(OCC(O)=O)ccc12
BDBM179015 CC1(C)c2[nH]c3cc(Br)ccc3c2C(=O)c2cc(OC[C@@H](O)[C@H](O)CO)ccc12 |r|
BDBM179016 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(OC[C@H](O)CO)ccc12)C#N |r|
BDBM179113 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12)C(=O)NCCc1ccccc1 |r|
BDBM179114 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12)C(=O)NS(=O)(=O)c1ccccc1 |r|
BDBM179293 C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCN2CCCC2C1)c1c(Cl)ccc(F)c1Cl |r|
BDBM179294 C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCCN(C)CC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM179295 C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM179296 C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCNC(C)(C)C1)c1c(Cl)ccc(F)c1Cl |r|
BDBM179017 CC1(C)c2[nH]c3cc(Br)ccc3c2C(=O)c2cc(OCc3ccccc3)ccc12
BDBM179018 COc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1Br
BDBM179019 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(OC3CCOC3)c(cc12)N1CCOCC1)C#N
BDBM179020 CC(C)Oc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1O[C@@H]1CCN(C1)C1CCC1 |r|
BDBM179021 OC[C@@H](O)COc1ccc2C(=O)c3c([nH]c4cc(ccc34)C#N)C3(CCCC3)c2c1 |r|
BDBM179022 O=C1c2c([nH]c3cc(ccc23)C#N)C2(CCOCC2)c2cc(OC3CCNCC3)ccc12
BDBM179023 O=C1c2c([nH]c3cc(ccc23)C#N)C2(CCOCC2)c2cc(OCCN3CCOCC3)ccc12
BDBM179297 C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1C[C@H](C)N[C@H](C)C1)c1c(Cl)ccc(F)c1Cl |r|
BDBM179800 Fc1ccc(Cl)c(c1Cl)S(=O)c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
BDBM179024 O=C1c2c([nH]c3cc(ccc23)C#N)C2(CCOCC2)c2cc(OCCN3CCS(=O)(=O)CC3)ccc12
BDBM179025 Fc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C3(CCOCC3)c2cc1N1CCN(CC1)C1CCC1
BDBM179026 CC(C)(C)N1CCN(CC1)c1cc2c(cc1Br)C(=O)c1c([nH]c3cc(ccc13)C#N)C21CCOCC1
BDBM179027 O=C1c2c([nH]c3cc(ccc23)C#N)C2(CCOCC2)c2cc(N3CCC(CC3)N3CCCC3)c(cc12)C#N
BDBM179028 CC#Cc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C3(CCOCC3)c2cc1N1CCC(CC1)N1CCOCC1
BDBM179029 CC1(C)c2[nH]c3cc(C#N)c(F)cc3c2C(=O)c2ccc(OC3CCNCC3)cc12
BDBM179030 CC(C)N1CCN(CC1)c1ccc2C(=O)c3c([nH]c4c(F)c(ccc34)C#N)C(C)(C)c2c1
BDBM179031 Cc1cc2c3c([nH]c2cc1Cl)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O |r|
BDBM179032 CC1(C)c2[nH]c3cc(Cl)ccc3c2C(=O)c2cc(O)c(OC[C@H](O)CO)cc12 |r|
BDBM179033 CC1(C)c2[nH]c3cc(Cl)ccc3c2C(=O)c2cc(-c3nn[nH]n3)c(O)cc12
BDBM179034 CC1(C)c2[nH]c3cc(Br)ccc3c2C(=O)c2ccc(O[C@H]3CCOC3)cc12 |r|
BDBM179035 CC1(C)c2[nH]c3cc(Br)ccc3c2C(=O)c2ccc(OC3CCN(CC3)C(=O)C(F)(F)F)cc12
BDBM179036 CC(=O)N1CCC(CC1)Oc1ccc2C(=O)c3c(n(C)c4cc(Br)ccc34)C(C)(C)c2c1
BDBM179037 CC1(C)c2[nH]c3cc(Br)ccc3c2C(=O)c2ccc(OC3COC[C@@H]3O)cc12 |r|
BDBM179038 CO[C@H]1O[C@H](COc2ccc3C(=O)c4c([nH]c5cc(Br)ccc45)C(C)(C)c3c2)[C@@H](O)[C@H](O)[C@H]1O |r|
BDBM179039 CCC(O)(CC)CCNC(=O)COc1ccc2C(=O)c3c([nH]c4cc(Br)ccc34)C(C)(C)c2c1
BDBM179040 CC(C)S(=O)(=O)N1CCN(CC1)C(=O)COc1ccc2C(=O)c3c([nH]c4cc(Br)ccc34)C(C)(C)c2c1
BDBM179041 CC1(C)c2[nH]c3cc(Br)ccc3c2C(=O)c2ccc(OCC(=O)N3CCN(CC3)C3COC3)cc12
BDBM179042 CC1(C)c2[nH]c3cc(Br)ccc3c2C(=O)c2ccc(OCC3CCN(CC3)S(C)(=O)=O)cc12
BDBM179043 CC(=O)N1CC(C1)N1CCC(COc2ccc3C(=O)c4c([nH]c5cc(Br)ccc45)C(C)(C)c3c2)CC1
BDBM179044 CC(C)(C)OC(=O)N1CCC2(CC1)OCCC2Oc1ccc2C(=O)c3c([nH]c4cc(Br)ccc34)C(C)(C)c2c1
BDBM179045 CC1(C)c2[nH]c3cc(Br)ccc3c2C(=O)c2ccc(OC3CCOC33CCN(CC3)C3COC3)cc12
BDBM179046 CC1(C)c2[nH]c3cc(Br)ccc3c2C(=O)c2ccc(OC[C@H](O)CCC(O)=O)cc12 |r|
BDBM179047 CC1(C)O[C@H](CO)[C@@H](COc2ccc3C(=O)c4c([nH]c5cc(Br)ccc45)C(C)(C)c3c2)O1 |r|
BDBM179048 CC1(C)c2c(C(=O)c3ccc(OC[C@@H](O)[C@H](O)CO)cc13)c1ccc(Br)cc1n2CC(O)=O |r|
BDBM191640 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCC(=O)NO
BDBM179049 COC(=O)Cn1c2c(C(=O)c3ccc(OC[C@@H](O)[C@H](O)CO)cc3C2(C)C)c2ccc(Br)cc12 |r|
BDBM179050 CC1(C)c2[nH]c3cc(I)ccc3c2C(=O)c2ccc(OC[C@@H](O)[C@H](O)CO)cc12 |r|
BDBM179051 CC1(C)c2[nH]c3c(C4CC4)c(ccc3c2C(=O)c2ccc(OC[C@H](O)CO)cc12)C#N |r|
BDBM179052 Cc1c(ccc2c3c([nH]c12)C(C)(C)c1cc(OC[C@H](O)CO)ccc1C3=O)C#N |r|
BDBM179053 CC1(C)c2[nH]c3c(C(O)=O)c(ccc3c2C(=O)c2ccc(OC[C@H](O)CO)cc12)C#N |r|
BDBM179054 CC1(C)c2[nH]c3c(C(N)=O)c(ccc3c2C(=O)c2ccc(OC[C@H](O)CO)cc12)C#N |r|
BDBM179055 COc1ccc2C(=O)c3c([nH]c4c(OC[C@H](O)CO)c(ccc34)C#N)C(C)(C)c2c1 |r|
BDBM50101805 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C)CC1O
BDBM50101807 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)[C@@]1(O)CCN(CC(N)=O)C[C@@H]1O |r|
BDBM50116681 COc1cc2CCNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50116683 CCN1CCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1
BDBM50116685 COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1
BDBM50116687 COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1COC1
BDBM50116688 COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1COC1
BDBM50116690 CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2CC1
BDBM50116692 COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
BDBM50116694 COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
BDBM50116696 COc1cc2CN(CCO)CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50116698 COc1cc2CCN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50103367 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(C[C@@H]3O)C(=O)OC(C)(C)C)nn12 |r|
BDBM50113514 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(CCN(C)C)cc2OC2CC2)ncc1Cl
BDBM196849 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCN(C)C
BDBM196850 COc1cc(ccc1Nc1nc(N2CCCC2)n2ccnc2c1C(N)=O)N1CCNCC1
BDBM196851 CS(=O)c1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)N1CCNCC1
BDBM196852 NC(=O)c1c(Nc2cc(F)c(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12
BDBM196853 NC(=O)c1c(Nc2c(F)cc(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12
BDBM196854 Cc1cc(Nc2nc(Cc3c(Cl)cccc3Cl)n3cnnc3c2C(N)=O)ccc1N1CCNCC1
BDBM50113516 COCCc1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C
BDBM50113517 CC(C)Oc1cc(C2CCNC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1
BDBM196855 NC(=O)c1c(Nc2ccc(N3CCNCC3)c(Cl)c2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
BDBM196856 COc1cc(ccc1Nc1nc(Cc2ccccc2Cl)n2ccnc2c1C(N)=O)N1CCNCC1
BDBM196857 NC(=O)c1c(Nc2cc(F)c(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
BDBM196858 COc1cc(ccc1Nc1nc(N2CCNCC2)n2ccnc2c1C(N)=O)N1CCNCC1
BDBM196859 NC(=O)c1c(Nc2ccc(cc2C(F)(F)F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
BDBM50113519 CC(C)Oc1cc(C2CNC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1
BDBM50113520 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C#N)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl
BDBM50113522 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(F)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl
BDBM50113523 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2ccc(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl
BDBM50113524 CC(C)c1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1
BDBM50113525 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2C(F)(F)F)C2CCN(C)CC2)ncc1Cl
BDBM196860 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)N1CCN(C)CC1
BDBM196861 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCN1CCN(C)CC1
BDBM196862 NC(=O)c1c(Nc2cc(Cl)c(N3CCNCC3)c(Cl)c2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12
BDBM196863 Cc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)N1CCNCC1
BDBM196864 NC(=O)c1c(Nc2ccc(N3CCNCC3)c(Cl)c2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12
BDBM196865 NC(=O)c1c(Nc2ccc(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12
BDBM50113622 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(F)(F)F)C2CCN(C)CC2)ncc1Cl
BDBM50113623 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(CF)CF)C2CCN(C)CC2)ncc1Cl
BDBM50113624 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OCC2CC2)C2CCN(C)CC2)ncc1Cl
BDBM50113626 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl
BDBM50113627 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCNCC2)ncc1Cl
BDBM196866 Cc1cc(Nc2nc(Cc3c(Cl)cccc3Cl)c3nc[nH]c3c2C(N)=O)ccc1N1CCNCC1
BDBM196867 COc1cc(CC(=O)N2CCCC2)ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O
BDBM196868 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)C(=O)NCCN(C)C
BDBM196869 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCN1CCCC1
BDBM196870 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCN1CCCCC1
BDBM196871 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCCCN(C)C
BDBM196872 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)NCCCN1CCOCC1
BDBM196873 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2ccnc2c1C(N)=O)C(=O)N1CCNCC1
BDBM196874 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)C(=O)N1CCN(C)CC1
BDBM196875 NC(=O)c1c(Nc2ccc(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
BDBM196876 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)C(=O)N1CCNCC1
BDBM196877 NC(=O)c1c(Nc2cc(Cl)c(N3CCNCC3)c(Cl)c2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
BDBM196878 NC(=O)c1c(Nc2cc(F)c(N3CCNCC3)c(F)c2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
BDBM196879 NC(=O)c1c(Nc2ccc(cc2Cl)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
BDBM196880 COc1c(F)c(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)N1CCNCC1
BDBM196881 NC(=O)c1c(Nc2ccc(N3CCNCC3)c(c2)C(F)(F)F)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
BDBM196882 NC(=O)c1c(Nc2ccc(cc2OC(F)(F)F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
BDBM196883 COc1ccc(cc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)N1CCNCC1
BDBM196884 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)N1CCN2CCCC2C1
BDBM196885 Cc1c(C)c(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O)N1CCNCC1
BDBM196886 COc1cc(CN2CCCC2)ccc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O
BDBM196887 NC(=O)c1c(Nc2ccc(cc2Br)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12
BDBM196888 Cc1cc(Nc2nc(Cc3c(Cl)cccc3Cl)c3nc[nH]c3c2C(N)=O)c(F)cc1N1CCNCC1
BDBM196889 COc1c(F)c(N2CCNCC2)c(F)cc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O
BDBM196890 COc1cc2CCNCc2cc1Nc1nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c2c1C(N)=O
BDBM196891 NC(=O)c1c(Nc2ccc(cc2Cl)C2CCNCC2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
BDBM196892 CCc1nnc2c(C(N)=O)c(Nc3ccc(cc3Cl)C3CCNCC3)nc(Cc3ccccc3Cl)n12
BDBM196893 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2c(C)nnc2c1C(N)=O)N1CCNCC1
BDBM196894 CCc1nnc2c(C(N)=O)c(Nc3ccc(cc3OC)N3CCNCC3)nc(Cc3c(Cl)cccc3Cl)n12
BDBM196895 CCc1cn2c(Cc3ccccc3Cl)nc(Nc3ccc(cc3OC)N3CCNCC3)c(C(N)=O)c2n1
BDBM196896 CCc1cn2c(Cc3ccccc3Cl)nc(Nc3ccc(cc3Cl)C3CCNCC3)c(C(N)=O)c2n1
BDBM196897 NC(=O)c1c(Nc2ccc(cc2Cl)C2CCNCC2)nc(Cc2ccccc2Cl)n2cnnc12
BDBM196898 CCc1nnc2c(C(N)=O)c(Nc3ccc(cc3OC)N3CCNCC3)nc(Cc3ccccc3Cl)n12
BDBM196899 COc1cc(ccc1Nc1nc(Cc2cccc(Cl)c2Cl)n2cnnc2c1C(N)=O)C1CCNCC1
BDBM196900 COc1cc(ccc1Nc1nc(Cc2ccccc2F)n2cnnc2c1C(N)=O)C1CCNCC1
BDBM196901 COc1cc(ccc1Nc1nc(Cc2cccc(F)c2F)n2cnnc2c1C(N)=O)C1CCNCC1
BDBM196902 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2cc(CN3CCOCC3)nc2c1C(N)=O)N1CCNCC1
BDBM196903 CCOC(=O)c1cn2c(Cc3c(Cl)cccc3Cl)nc(Nc3ccc(cc3OC)N3CCNCC3)c(C(N)=O)c2n1
BDBM196904 CCNC(=O)c1cn2c(Cc3c(Cl)cccc3Cl)nc(Nc3ccc(cc3OC)N3CCNCC3)c(C(N)=O)c2n1
BDBM196905 COc1cc(ccc1Nc1nc(Cc2c(Cl)cccc2Cl)n2cc(nc2c1C(N)=O)C(=O)NCC(F)(F)F)N1CCNCC1
BDBM50113507 CC(C)Oc1cc(C2CCN(C)C2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1
BDBM50113508 CC(C)N1CCC(CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C
BDBM50113510 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCCN(C)C2)ncc1Cl
BDBM50113511 CCNC(=O)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C
BDBM50113513 CC(C)C(=O)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50113509 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1
BDBM50113512 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)S(C)(=O)=O)ncc1Cl
BDBM50113515 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2COC2)ncc1Cl
BDBM50113518 CC(C)Oc1cc(C2CN(C)C2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1
BDBM50113521 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(Cl)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl
BDBM50113625 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OCC2CC2)C2CCNCC2)ncc1Cl
BDBM199944 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(CNC2)C1)c1c(Cl)ccc(F)c1Cl |r|
BDBM199945 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCNCC2)c1c(Cl)ccc(F)c1Cl |r|
BDBM199946 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCC2(CNC2)CC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM199947 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CC2(C1)CCCNC2)c1c(Cl)ccc(F)c1Cl |r,wU:1.0,(-5.5,-2.14,;-4.09,-2.77,;-2.84,-1.86,;-3,-.33,;-1.76,.57,;-1.92,2.11,;-3.33,2.73,;-4.57,1.83,;-4.41,.3,;-5.66,-.61,;-.67,3.01,;-.67,4.55,;.79,5.03,;1.7,3.78,;.79,2.54,;3.24,3.78,;4.32,4.87,;5.41,3.78,;4.32,2.69,;6.18,5.11,;7.72,5.11,;8.49,3.78,;7.72,2.45,;6.18,2.45,;-3.93,-4.3,;-2.52,-4.93,;-1.28,-4.02,;-2.36,-6.46,;-3.61,-7.36,;-5.01,-6.74,;-6.26,-7.64,;-5.17,-5.2,;-6.58,-4.58,)|
BDBM50092079 Fc1cccc(c1)[C@H]1CCCN1c1ccc2ncc(-c3ccccn3)n2n1 |r|
BDBM50113629 CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1
BDBM50092080 N#Cc1ccc(cc1)-c1cnc2ccc(NCc3ccccc3)nn12
BDBM50092081 OC1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
BDBM50101809 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)[C@@]1(O)CCNC[C@@H]1O |r|
BDBM50116689 CCN1CCCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1
BDBM50116691 COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
BDBM50116693 COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
BDBM50116695 COc1cc2CCN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
BDBM50116697 COc1cc2CCCN(CCO)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50116699 COc1cc2CN(CCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
BDBM50116665 COc1cc2c(CCCNC2=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50116671 COc1cc2CCCNC(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50116678 COc1cc2CC(=O)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50116679 COc1cc2CNCCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50116680 COc1cc2CCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50116682 COc1cc2OCCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50101802 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12 |r|
BDBM50101803 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@H]3CCN(CCO)C[C@@H]3O)nn12 |r|
BDBM50101804 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@H]1CCNC[C@@H]1O |r|
BDBM50101806 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(CC(N)=O)C[C@@H]3O)nn12 |r|
BDBM50101808 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCNC[C@@H]1O |r|
BDBM50101810 COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCN(C)C[C@@H]1O |r|
BDBM50101811 COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@H]3CCN(CC(N)=O)C[C@@H]3O)nn12 |r|
BDBM50116686 COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCOCC1
BDBM234389 OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O |r|
BDBM50092082 OC(=O)CN1CCN(CC1)c1cc(ccn1)-c1cnc2ccc(nn12)N1CCC[C@@H]1c1cccc(F)c1 |r|
BDBM50116684 COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
BDBM50166076 CCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
BDBM50166077 CC(C)(C)C(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
BDBM50166121 CCCCC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
BDBM50157319 COc1cc2c(CCC(O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157326 COc1cc2CC\C(=N/NC(N)=O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50187714 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC1)C(=O)C1CCOCC1 |t:28|
BDBM50157880 Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM50157881 Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
BDBM50157640 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)ncc1Cl |r,wU:28.30,wD:31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;-1.33,3.85,;-1.34,5.39,;-0,6.16,;1.33,5.39,;1.33,3.85,;-0,7.7,;1.33,8.47,;2.4,9.09,;1.33,9.7,;2.4,7.86,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)|
BDBM50170110 COCCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
BDBM50185161 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50156383 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50157344 COc1cc2CC\C(=N/N3CCN(C)CC3)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157879 [H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
BDBM50185247 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(C1)N1CCCCC1
BDBM50185270 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCCC1
BDBM50185276 CNC(=O)CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)c(OC)c1
BDBM50185278 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(O)CC1
BDBM50158429 Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
BDBM50185279 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CC1)C(C)=O
BDBM50185289 COc1ccccc1Nc1nc(Nc2ccc(cc2OC)P(C)(C)=O)ncc1Cl
BDBM50157628 CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
BDBM50182493 CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
BDBM50185162 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)N(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185267 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCOCC1
BDBM50157336 COc1cc2CC\C(=N/NC(N)=N)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157529 COc1cc2c(CC\C(=N/NC(N)=N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157530 COc1cc2c(CC\C(=N/N3CCOCC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157533 COc1cc2CCC(N)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50170081 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N)c1
BDBM50170100 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCF)c1
BDBM50170101 CN1CC(CNc2cc(ccc2C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)N2CCN(C)CC2)C1
BDBM50170102 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:34.37,wD:37.41,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;8.75,5.44,;10.25,5.76,;11.29,4.62,;12.49,4.88,;10.81,3.16,;9.31,2.83,;6.21,6.26,)|
BDBM50170103 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@@H]2CC[C@H](O)CC2)c1 |r,wU:37.41,34.37,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;9.31,2.83,;10.81,3.16,;11.29,4.62,;12.49,4.88,;10.25,5.76,;8.75,5.44,;6.21,6.26,)|
BDBM50170104 CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
BDBM50159535 CC(C)S(=O)(=O)c1nc(C)sc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl
BDBM50170106 Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1
BDBM50170107 Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(CN5CCCCC5)cc4NC4CCOCC4)c3c2)c1
BDBM50170108 CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
BDBM50159536 CC(C)S(=O)(=O)c1sc(C)nc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl
BDBM236557 Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
BDBM50185246 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(c1)C1CCNCC1
BDBM50185271 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CN2CCC2)CC1
BDBM50185272 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CC[C@H](C1)N(C)C |r|
BDBM50185283 COc1cc(OC2CCN(C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
BDBM50185284 COc1cc(OCCCN2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
BDBM50185291 COc1cc(ccc1Nc1ncc(C(C)=O)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM245233 COc1ccccc1\C=C(/C)c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM245234 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C(C)=C\c4ccccc4)c3c2c1
BDBM245235 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4NS(C)(=O)=O)c3c2c1
BDBM50157303 COc1cc2c(CC\C(=N/N3CCN(C)CC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157313 COc1cc2c(CCC(N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50159513 CC(C)N[C@H]1CC[C@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:7.10,4.3,(1.33,9.7,;1.33,8.47,;2.4,7.86,;-0,7.7,;-0,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;-1.33,3.85,;-1.34,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)|
BDBM50159514 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCS(=O)(=O)CC2)ncc1Cl
BDBM245238 CC(C)[Si](C=Cc1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1)(C(C)C)C(C)C
BDBM245239 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)C(O)c4ccccc4)c3c2c1
BDBM245242 CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Nc4ccccc4[N+]([O-])=O)c3c2c1
BDBM245243 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4)c3c2c1
BDBM245244 COc1ccccc1C#Cc1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM245245 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4C(F)(F)F)c3c2c1
BDBM50170076 C[C@@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r|
BDBM50170077 C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r|
BDBM50170078 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4ccccc4)cc23)c(NC2CCOCC2)c1
BDBM50185140 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185164 COc1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl
BDBM50185165 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C#N)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185166 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2I)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50159515 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@@H]2CC[C@@H](CC2)NC2CC2)ncc1Cl |r,wU:28.30,31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;1.33,3.85,;1.33,5.39,;-0,6.16,;-1.34,5.39,;-1.33,3.85,;-0,7.7,;1.33,8.47,;2.02,9.76,;2.79,8.42,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)|
BDBM50159516 COc1ccc(Cn2cc(Nc3nc(Nc4cc(C)c(cc4OC(C)C)C4CCNCC4)ncc3Cl)c(n2)S(=O)(=O)C(C)C)cc1
BDBM50159517 CC(C)N[C@H]1CC[C@@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:7.10,wD:4.3,(1.33,9.7,;1.33,8.47,;2.4,7.86,;-0,7.7,;-0,6.16,;-1.34,5.39,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)|
BDBM50159518 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(nc2S(=O)(=O)C(C)C)C2CC2)n1
BDBM50159519 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(C)(=O)=O)n1
BDBM245246 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccc(F)cc4)c3c2c1
BDBM245247 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4F)c3c2c1
BDBM245248 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4Cl)c3c2c1
BDBM245249 CC(C)[Si](C#Cc1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1)(C(C)C)C(C)C
BDBM245250 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#C)c3c2c1
BDBM245251 COc1ccccc1C#Cc1ccnc2n(C)c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM50170079 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c(NC2CCOCC2)c1
BDBM50185196 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185274 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCCN(C)CC1
BDBM50159521 CCC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(C)C)C2CCNCC2)ncc1Cl
BDBM50159522 CC(C)CS(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(C)C)C2CCNCC2)ncc1Cl
BDBM50159523 CCN(CC)[C@H]1CC[C@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:8.11,5.4,(-1.35,9.7,;-1.35,8.47,;-.01,7.7,;1.32,8.48,;1.31,9.71,;-0,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;-1.33,3.85,;-1.34,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)|
BDBM50159527 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@H]2CC[C@@H](CC2)NC2CC2)ncc1Cl |r,wU:28.30,wD:31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;-1.33,3.85,;-1.34,5.39,;-0,6.16,;1.33,5.39,;1.33,3.85,;-0,7.7,;1.33,8.47,;2.02,9.76,;2.79,8.42,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)|
BDBM50159528 CNC(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl
BDBM245252 COc1ccc(Sc2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)cc1
BDBM245253 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4cn(Cc5ccc(C)cc5)nn4)c3c2c1
BDBM245254 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Oc5ccccc5)cc4)c3c2c1
BDBM245255 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(nc4)-c4ccc(F)cc4)c3c2c1
BDBM245256 COc1cc(c(OC)cc1C(=O)c1ccccc1)-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM50185163 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185244 COc1cc(ccc1Nc1ncc(C2CC2)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185245 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)C1CCN(C)CC1
BDBM50185280 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(C)CC1
BDBM50185281 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCOCC1
BDBM50159530 CCN(CC)[C@H]1CC[C@@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:8.11,wD:5.4,(-1.35,9.7,;-1.35,8.47,;-.01,7.7,;1.32,8.48,;1.31,9.71,;-0,6.16,;-1.34,5.39,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)|
BDBM50159531 CN1CCC(CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3C#N)n2)cc1C
BDBM245257 COc1cc(C(=O)c2ccccc2)c(O)cc1-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM245258 COc1cc(c(OC)cc1Cc1ccccc1)-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM245259 COc1cc(Cc2ccccc2)c(O)cc1-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM245260 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)c(c4)C(F)(F)F)c3c2c1
BDBM245261 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4C(F)(F)F)c3c2c1
BDBM50185265 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCCN(C)CC1
BDBM50185268 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CC1)C1CCN(C)CC1
BDBM50185275 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCN(CCO)CC1
BDBM50185287 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(N)=O)n1)P(C)(C)=O
BDBM50185288 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1)P(C)(C)=O
BDBM50159537 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1C
BDBM50159539 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1F
BDBM50159540 CC(C)S(=O)(=O)c1nn(C)cc1Nc1ncnc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)n1
BDBM50159541 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1C#N
BDBM50159542 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCOCC2)ncc1Cl
BDBM50159544 CCn1cc(Nc2nc(Nc3cc(C)c(cc3OC(C)C)C3CCNCC3)ncc2Cl)c(n1)S(=O)(=O)C(C)C
BDBM245262 COc1cc(cc(OC)c1Cc1ccccc1)-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM245263 COc1cc(c(OC)cc1C(O)c1ccccc1)-c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1 |w:10.11|
BDBM245264 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(N4CCC(Cc5ccccc5)CC4)c3c2c1
BDBM245265 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(N4CCN(Cc5ccccc5)CC4)c3c2c1
BDBM50185290 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)P(C)(C)=O
BDBM50187715 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1C1=CCN(CC2CCOCC2)CC1 |t:28|
BDBM50166350 CC(NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1cccc(Cl)c1
BDBM245207 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Cl)c3c2c1
BDBM245208 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4)c3c2c1
BDBM245209 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C(C)=C\c4ccccc4C(F)(F)F)c3c2c1
BDBM245210 CN1CCN(CC1)c1ccc(cn1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4)c3c2c1
BDBM245211 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)-c4ccccc4)c3c2c1
BDBM245212 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4cccc(F)c4)c3c2c1
BDBM50166569 CC(NC(=O)c1ccc2[nH]nc(-c3ccnc(C)c3)c2c1)c1c(Cl)cncc1Cl
BDBM245213 COc1ccc(\C=C\c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)cc1
BDBM245214 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(OCc5ccccc5)cc4)c3c2c1
BDBM245215 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5cccc(c5)C(F)(F)F)cc4)c3c2c1
BDBM245216 COc1ccccc1\C=C\c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM245217 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4C(F)(F)F)c3c2c1
BDBM245218 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5ccc(Cl)c(C)c5)cc4)c3c2c1
BDBM245219 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(F)cc4)c3c2c1
BDBM245220 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(cc4)C(F)(F)F)c3c2c1
BDBM245221 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4F)-c4ccccc4)c3c2c1
BDBM245222 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
BDBM245223 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4cccc(c4)-c4ccccc4)c3c2c1
BDBM245224 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4F)c3c2c1
BDBM245225 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4Cl)c3c2c1
BDBM245226 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)N4CCN(C)CC4)c3c2c1
BDBM245227 CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
BDBM245228 CN1CCC(CC1)N1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4C(F)(F)F)c3c2c1
BDBM245229 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)C(=O)c4ccccc4)c3c2c1
BDBM245230 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(cc4)-c4cccc5ccccc45)c3c2c1
BDBM245231 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C(=C\c4ccccc4)c4ccccc4)c3c2c1
BDBM245232 COc1ccc(Cc2ccc(cc2)-c2ccnc3[nH]c4ccc(cc4c23)-c2ccc(cc2)N2CCN(C)CC2)c(OC)c1
BDBM50157318 COc1cc2CCC(O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157316 COc1cc2CCC(=O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157317 COc1cc2c(CCC(=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157322 COc1cc2CC\C(=N/O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157534 COc1cc2c(CCC(NC(=O)CO)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157538 COc1cc2c(CCC(NC(=O)CN(C)C)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM245236 CC\C=C(/c1ccccc1)c1ccnc2[nH]c3ccc(cc3c12)-c1ccc(cc1)N1CCN(C)CC1
BDBM245240 CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Nc4ccccc4[N+]([O-])=O)c3c2c1
BDBM50185233 CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185234 CCOc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185235 COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
BDBM50185236 COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(F)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
BDBM50170080 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4F)cc23)c(NC2CCOCC2)c1
BDBM50170105 CN(C)CCN(C)C(=O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
BDBM50170109 COC[C@@H](C)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 |r|
BDBM50170111 COCC(COC)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
BDBM50185237 CCP(=O)(CC)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)ncc1Cl
BDBM50185238 COc1cc(ccc1Nc1ncc(C)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185239 COc1cc(ccc1Nc1ncc(F)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185240 COc1cc(ccc1Nc1ncc(OC)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50170112 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCO)c1
BDBM50170113 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCc2ccccc2)c1
BDBM50170114 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(Nc2ccccc2)c1
BDBM50170115 CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4C)cc23)c(NC2CCOCC2)c1
BDBM50185153 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185160 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50185285 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)P(C)(C)=O
BDBM50173119 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(OCCCN4CCCC4)cc3)[nH]n2)no1
BDBM50173120 CC(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1
BDBM50173121 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cc(C)on3)c(C)c2)CC1
BDBM50185286 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1)P(C)(C)=O
BDBM50185294 COc1ccccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50185152 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50187716 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2CCOCC2)CC1)C#N
BDBM50173122 CCc1cc(NC(=O)Nc2ccc(cc2C)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1
BDBM50173123 CC(C)c1cc(NC(=O)Nc2ccc(cc2C)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1
BDBM50173124 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(NC(=O)Nc3cccc(F)c3)c(C)c2)CC1
BDBM50173125 CN1CCN(Cc2ccc(cc2)C(=O)Nc2cc(n[nH]2)-c2ccc(N)c(C)c2)CC1
BDBM50185282 COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
BDBM50158419 C[C@@H](Oc1cc(cnc1N)-c1ccn(n1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50157323 COc1cc2CC\C(=N/NC(C)=O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157346 COc1cc2CC\C(=N/N3CCOCC3)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157641 CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)ncc1Cl |r,wU:28.30,wD:31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;-1.33,3.85,;-1.34,5.39,;-0,6.16,;1.33,5.39,;1.33,3.85,;-.01,7.7,;-1.34,8.47,;-1.34,10.01,;-.01,10.78,;1.33,10.01,;1.33,8.47,;-0,12.32,;-1.07,12.94,;1.06,12.94,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)|
BDBM50157351 COc1cc2c(CC\C(=N/O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157527 COc1cc2c(CC\C(=N/NC(C)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50157528 COc1cc2c(CC\C(=N/NC(N)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50159520 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2c[nH]nc2S(=O)(=O)C(C)C)n1
BDBM50158374 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C2CC2)n1
BDBM50158376 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C(C)C)n1
BDBM50158393 CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)N(C)C)n1
BDBM50204620 COc1ccc(cc1)C(\C)=N\Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM50200539 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCNCC2)CC1
BDBM50193824 COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
BDBM50207723 COc1ccccc1-n1cnc(c1)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(F)c1
BDBM50204614 CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(OC(F)(F)F)cc2)ncc1Cl
BDBM50204615 CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(F)cc2)ncc1Cl
BDBM50204616 CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C(/C)c2ccc(F)cc2)ncc1Cl
BDBM50204617 COc1cccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
BDBM50204618 CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2cccc(c2)C(F)(F)F)ncc1Cl
BDBM50204619 CC(C)S(=O)(=O)c1ccccc1Nc1nc(N\N=C\c2ccc(cc2)C(F)(F)F)ncc1Cl
BDBM31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
BDBM50193807 COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(C)CC1
BDBM50193808 [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5|
BDBM50193812 [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5|
BDBM50193820 COc1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
BDBM50193811 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|
BDBM50193821 [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CCCC(Cc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5|
BDBM50193822 [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5|
BDBM50193823 COc1c(Nc2ncc(Cl)c(Nc3ccccc3N(C)S(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
BDBM50193809 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3CC(CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
BDBM50193810 CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl |r|
BDBM50193815 [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl)C(N)=O |r,c:5|
BDBM50193816 [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3CC(CCCc3c2OC)NCCOC)ncc1Cl)C(N)=O |r,c:5|
BDBM50193813 COc1c(Nc2ncc(Cl)c(Nc3ccccc3-n3cccn3)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
BDBM50193814 [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(C)CC2)ncc1Cl)C(N)=O |r,c:5|
BDBM50193817 COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
BDBM50193819 [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCOCC2)ncc1Cl)C(N)=O |r,c:5|
BDBM50200536 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CC(C)OC(C)C2)CC1
BDBM50200537 CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2ccc(cc12)C1CCN(CC2(O)CCOCC2)CC1)C#N
BDBM50200538 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC(O)(CCC(O)=O)CC(O)=O)CC1
BDBM50204639 COc1ccc(\C=N\Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1
BDBM50200534 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCOCC2)CC1
BDBM50193825 COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
BDBM50200535 CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCN(CC2(O)CCCCC2)CC1
BDBM50193818 COc1c(Nc2ncc(Cl)c(Nc3ccccc3N3CCCS3(=O)=O)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
BDBM261650 CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#C[Si](C)(C)C(C)(C)C
BDBM261651 CC(C)[Si](OCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C
BDBM261652 CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#Cc1ccccc1C(F)(F)F
BDBM261653 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
BDBM261654 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2F)CC1
BDBM261655 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccc(F)cc2)CC1
BDBM261656 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
BDBM261657 CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM261658 CC(C)[Si](C#Cc1ccc(cc1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
BDBM243369 COc1cc2CNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243370 COc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243371 COc1cc2CN(C)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243372 CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1
BDBM261659 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(cc2)C#Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
BDBM261660 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(cc2)C#C[Si](C)(C)C(C)(C)C)CC1
BDBM261661 CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1)(C(C)C)C(C)C
BDBM243373 COc1cc2CN(CCO)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243374 COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
BDBM243375 CCNC(=O)N1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1
BDBM243376 COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
BDBM243377 COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)S(N)(=O)=O
BDBM243378 COc1cc2CN(CC(=O)N(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261662 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1
BDBM261663 CC(C)(C)[Si](C)(C)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1
BDBM261664 CC(C)(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCOCC3)cc2)n1)(c1ccccc1)c1ccccc1
BDBM261665 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2OC(F)(F)F)CC1
BDBM261666 CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#Cc1ccccc1OC(F)(F)F
BDBM261667 CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CNCCN(C)C)cc2)n1)(C(C)C)C(C)C
BDBM243379 COc1cc2CN(CC(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F
BDBM243380 COc1cc2CNCC(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243381 COc1cc2CN(CC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F
BDBM243382 COc1cc2CNCC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243383 COc1cc2CN(CC3(CCCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F
BDBM243384 COc1cc2CNCC3(CCCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261668 CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(Cn3cnnn3)cc2)n1)(C(C)C)C(C)C
BDBM261669 CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(Cn3ccnc3)cc2)n1)(C(C)C)C(C)C
BDBM261670 CC(C)OC(=O)CNCc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccc(c1)C#C[Si](C(C)C)(C(C)C)C(C)C
BDBM261671 CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
BDBM261672 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C)CC1
BDBM261673 CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(CC#C)CC3)cc2)n1)(C(C)C)C(C)C
BDBM243385 CC(C)Oc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F
BDBM243386 CC(C)Oc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243387 CC(C)COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F
BDBM243388 CC(C)COc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243389 CCC(C)Oc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F
BDBM243390 CCC(C)Oc1cc2CNCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261674 COc1cc(ccc1-c1cnc(N)cc1-c1ccnn1-c1ccc(F)c(Cl)c1)N1CCNCC1
BDBM261675 COc1cc(ccc1-c1cnc(N)cc1-c1ccnn1-c1ccc(F)cc1)N1CCNCC1
BDBM261676 COc1cc(ccc1-c1cnc(N)cc1C#Cc1ccnn1Cc1ccc(Cl)c(F)c1)N1CCN(C)CC1
BDBM261677 Nc1ncc(cc1COc1cccc(F)c1)-c1cnn(c1)C1CCNCC1
BDBM261678 COc1nc(ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1)N1CCN(CC1)C(C)C
BDBM261679 COc1cc(cnc1N1CCN(C)CC1)-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1
BDBM261680 COc1cc(ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1)N1CCN(C)CC1
BDBM243391 COc1cc2CN(CCN(C)C)CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243392 COc1cc2CN(CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
BDBM243393 COc1cc2C(C)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243394 COc1cc2C(NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(F)(F)F
BDBM243395 CCC1NCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc12
BDBM243396 COc1cc2C(NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)C
BDBM261681 COc1cc(ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1)N1CCN(C)C[C@@H]1C |r|
BDBM261682 COc1cc(ncc1-c1cnc(N)c(OC(C)c2c(Cl)ccc(F)c2Cl)c1)N1CCN(C)C[C@H]1C |r|
BDBM261683 COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCN(C)C[C@@H]1C |r|
BDBM261684 COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCN(C)C[C@H]1C |r|
BDBM261685 COc1cc(cnc1N1CCN(C)C[C@@H]1C)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r|
BDBM261686 COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C |r|
BDBM243397 COc1cc2C(C)N(C(=O)C(F)(F)F)C3(CC3)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243398 COc1cc2C(C)NC3(CC3)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243399 COc1cc2c(CCN(Cc3ccccc3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243400 COc1cc2c(CCN(C(=O)C(F)(F)F)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243402 COc1cc2CCNCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261687 COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCN(C[C@@H]1C)C1CCN(C)CC1 |r|
BDBM261688 COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(I)c2Cl)c1)C1=CCNCC1 |r,t:30|
BDBM261689 COc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r,t:9|
BDBM261690 COc1cc(ncc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(C)(F)F)c1)N1CCC(CC1)N1CCN(C)CC1
BDBM261691 COc1ccc(nc1N1CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r|
BDBM261692 COc1ccc(nc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNCC1 |r|
BDBM243403 COc1cc2CCN(C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243406 COc1cc2CCN(CCO)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243407 COc1cc2CCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O
BDBM243422 CCNC(=O)N1CCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1
BDBM243423 COc1cc2CCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)CO
BDBM243424 COc1cc2CCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)S(N)(=O)=O
BDBM261693 COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC(=O)C1 |r|
BDBM261694 COc1cc(nc(c1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNCC1 |r|
BDBM261695 COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNCC1 |r|
BDBM261696 COc1cnc(cc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNCC1 |r|
BDBM261697 COc1cnc(cc1N1CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r|
BDBM261698 COc1cc(ccc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(F)F)c1)N1CCNCC1
BDBM261699 COc1cc(N2CCNCC2)c(Cl)cc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(F)F)c1
BDBM243425 CCN1CCc2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C1
BDBM243428 COc1cc2CCN(CC(=O)N(C)C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243429 COc1cc2CCN(CCN(C)C)Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243430 COc1cc2CCNC(=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM243431 COc1cc2CCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1CCNCC1
BDBM243432 COc1cc2CCNC(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261700 COc1cc(cnc1C1CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r|
BDBM261701 COc1ccc(nc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r,t:9|
BDBM261702 COc1ccc(nc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C |r|
BDBM261703 COc1c(cncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNCC1 |r|
BDBM261704 COc1cc(ccc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(C)(F)F)c1)N1CCNCC1
BDBM261705 COc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCOCC1 |r|
BDBM261706 COc1ccc(nc1N1CCNC[C@@H]1C)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r|
BDBM244010 CC(C)Oc1cc2C(C)NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244011 CC(C)Oc1cc2c(CCNC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244012 COc1cc2CCNC(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244013 CCC1(C)NCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc12
BDBM244014 CCC1(CC)NCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc12
BDBM244015 COc1cc2c(CNCC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261707 COc1cc(N2CCNCC2)c(Cl)cc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(C)(F)F)c1
BDBM261708 CCOc1cc(cnc1C1=CCNCC1)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r,t:10|
BDBM261709 COc1cc(cnc1C1=CCNCC1C)-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1 |r,t:9|
BDBM261710 C[C@@H](Oc1cc(cnc1N)-c1cnc(C2=CCNCC2)c(OCCO)c1)c1c(Cl)ccc(F)c1Cl |r,t:15|
BDBM261711 CCOc1cc(ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1)N1CCNC[C@@H]1C |r|
BDBM261712 C[C@@H](Oc1cc(cnc1N)-c1cnc(N2CCOCC2)c(OCCN2CCOCC2)c1)c1c(Cl)ccc(F)c1Cl |r|
BDBM244017 COc1cc2C(NCCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(O)=O
BDBM244018 CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C1(C)C
BDBM244019 COc1cc2c(CCN(C(=O)CO)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244020 CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC(C)C)cc2C1(C)C
BDBM244021 CC(C)Oc1cc2c(CNCC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244022 CCOc1cc2c(CN(CC)CC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261624 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2)CC1
BDBM261625 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccc(C)cc2)CC1
BDBM261713 C[C@@H](Oc1cc(cnc1N)-c1cnc(C2=CCNCC2)c(OCCN2CCOCC2)c1)c1c(Cl)ccc(F)c1Cl |r,t:15|
BDBM261714 C[C@@H](Oc1cc(cnc1N)-c1cnc(cc1OCCN1CCOCC1)N1CCNC[C@@H]1C)c1c(Cl)ccc(F)c1Cl |r|
BDBM244023 CCN1Cc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC(C)C)cc2C(C)(C)C1
BDBM244024 COc1cc2c(CNCC22CCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244025 COc1cc2C3CNCC(=O)N3CCc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244026 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C1CNCC(=O)N1CC2(C)C
BDBM244028 COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C1CNCCN1CC2(C)C
BDBM244029 COc1cc2c(CCNC2(C)C)c(Br)c1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261626 COc1ccc(cc1)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
BDBM261627 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccccc2)CC1
BDBM261628 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccc(C)cc2)CC1
BDBM261629 COc1ccc(cc1)C#Cc1cc(ccc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
BDBM261630 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccccc2C(F)(F)F)CC1
BDBM261631 COc1ccccc1C#Cc1cc(ccc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
BDBM244030 COc1cc2c(CCNC2(C)C)c(Cl)c1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244031 COc1c(Br)c2c(CCNC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244032 COc1c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc2CCNC(C)(C)c2c1Cl
BDBM244033 COc1cc2c(CN(C)CC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244034 CCN1Cc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2C(C)(C)C1
BDBM244035 CCOc1cc2c(CN(CCO)CC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261632 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C)c(c2)C#Cc2ccc(F)cc2)CC1
BDBM261633 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C#Cc3ccc(C)cc3)c(C)c2)CC1
BDBM261634 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C#Cc3ccccc3C(F)(F)F)c(C)c2)CC1
BDBM261635 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#Cc2ccccc2C(F)(F)F)CC1
BDBM261636 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2ccc(C#Cc3ccccc3C(F)(F)F)c(c2)C#Cc2ccccc2C(F)(F)F)CC1
BDBM261637 CC(C)[Si](C#Cc1cc(ccc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
BDBM244036 COc1cc2c(CN(CC2(C)C)C(=O)CN(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244037 COc1cc2c(CN(CC2(C)C)C(=O)CO)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244038 COc1cc2c(CNCC22CC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244039 COc1cc2CCN3C(CNCC3=O)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244040 COc1cc2CCN3CCNCC3c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244041 CCOc1cc2c(CCNC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261638 CC(C)[Si](C#Cc1ccc(cc1C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
BDBM261639 CC(C)[Si](C#Cc1ccc(cc1C#C[Si](C(C)C)(C(C)C)C(C)C)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
BDBM261640 CC[Si](CC)(CC)C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
BDBM261641 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C[Si](C)(C)C)CC1
BDBM261642 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CC2=CCCCC2)CC1 |t:31|
BDBM261643 CCCCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1
BDBM244042 CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2cc3CCNC(C)(C)c3cc2OC(F)F)ncc1Cl
BDBM244044 CCCC1NCCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc12
BDBM244095 [#6]-[#8]-c1cc2-[#6][N]([#6])([#6])[#6]-[#6]-c2cc1-[#7]-c1ncc(Cl)c(-[#7]-c2ccccc2S(=O)(=O)[#6](-[#6])-[#6])n1
BDBM244096 COc1cc2c(CCCNC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM244097 COc1cc2c(CCNCC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM261644 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
BDBM261645 CC(C)[Si](OCC#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)n1)(C(C)C)C(C)C
BDBM261646 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#CCO[Si](C)(C)C(C)(C)C)CC1
BDBM261647 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C[Si](C)(C)C(C)(C)C)CC1
BDBM261648 CN1CCN(Cc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2)C#C[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
BDBM261649 CC(C)[Si](C#Cc1cccc(c1)-c1csc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(=O)N2CCN(C)CC2)n1)(C(C)C)C(C)C
BDBM244098 COc1cc2c(CNC2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291958 COc1ccc(CNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291959 COc1ccc(CN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291960 COc1ccc(CCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291961 CC(C)Oc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291962 COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1
BDBM291963 COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2cc(F)ccc2S(=O)(=O)C(C)C)n1
BDBM291971 COc1ccc(CCCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291984 COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)C#N
BDBM291985 COc1cc(CCN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291986 COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
BDBM291987 COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N
BDBM291988 COc1cc(CCN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291989 COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CNC=O
BDBM291990 CNCC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
BDBM291965 COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
BDBM291966 COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccc(F)cc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
BDBM291967 COc1ccc(cc1Nc1ncc(Cl)c(Nc2cc(F)ccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
BDBM291968 COc1ccc(cc1Nc1ncc(Cl)c(Nc2c(F)cccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN
BDBM291969 COc1ccc(CCN(CCO)CCO)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291970 COc1ccc(CCCNC(=O)C(F)(F)F)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291972 COc1ccc(CC(N)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291973 CCOCCOC(=O)Cc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
BDBM291974 COc1ccc(CC(O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291975 COc1ccc(CC(=O)N2CCOCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291976 COc1ccc(CC(=O)N2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291977 COc1ccc(CC(=O)NCCO)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291991 COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)NC=O
BDBM291992 COc1cc(CCNC=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291993 CNCCc1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
BDBM291994 CNC(C)(C)c1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
BDBM291995 COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)CN(C)C
BDBM291996 COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N(C)C
BDBM291997 COc1cc(CN)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291978 COc1ccc(CC(=O)N2CCNCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291979 COc1ccc(CC(=O)Nc2ccncc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291980 COc1ccc(CC(=O)Nc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291981 COc1cc(Br)c(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291982 COc1cc(C2=NC(C)N=C2)c(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 |c:9,t:5|
BDBM291983 COc1cc(CC#N)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291998 COc1cc(C[N+](C)(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291999 COc1cc(CN(C)C)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM292000 COc1cc(CNC=O)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM292001 CNCc1cc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)cc1C
BDBM292002 COc1ccc(CCN2CCNCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM270538 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(N)=O)n1)N1CCC(CC1)N(C)C
BDBM270539 COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCN(C)CC1
BDBM270540 COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1
BDBM270541 CN(C)C(=O)C(=O)c1ccccc1Nc1cc(Cl)ccc1Cl
BDBM270542 CN(C)C(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc3OCCN(C(=O)C=C)c3c2)ncc1Cl
BDBM270543 CN(C)CCOc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)cc1NC(=O)C=C
BDBM270544 COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCC(CC1)N(C)C
BDBM291934 COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291935 COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN2CCCCC2)CCCC1
BDBM291936 COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN2CCOCC2)CCCC1
BDBM291937 COc1ccc(NC(C)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291938 COc1ccc(CCNS(C)(=O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291939 COc1ccc(CCN(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291946 CCNC(=O)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
BDBM291947 COc1ccc(CCNC(=O)NC2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291948 COc1ccc(CCNC(=O)Nc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291949 CNC(=S)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
BDBM291950 COc1ccc(CCNC(=S)NCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291951 COc1ccc(CCN2CCCCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291964 COc1ccc(CCN)cc1Nc1ncc(Cl)c(Nc2c(F)cccc2S(=O)(=O)C(C)C)n1
BDBM291931 COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN)CCCC1
BDBM291932 COc1ccc(cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C1(CN)CCCCC1
BDBM291933 COc1ccc(CC2(N)CC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291940 CNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
BDBM291941 COc1ccc(CCNCc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291942 COc1ccc(CCNC(=O)Cc2ccccc2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291943 CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
BDBM291944 CCN(CC)CCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
BDBM291945 COc1ccc(CCNC(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291952 COc1ccc(CCN2CCOCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291953 CCNC(=S)NCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
BDBM291954 COC(=O)CCNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
BDBM291955 COc1ccc(CCNc2ncccn2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
BDBM291956 COC(=O)CNCCc1ccc(OC)c(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c1
BDBM291957 COc1ccc(CCNCC(O)=O)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1