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2043 SMILES Strings for Alpha-1A adrenergic receptor

Compound NameSMILES String
BDBM50453799 COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9|
BDBM4308 Oc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1O
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM10452 C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
BDBM10758 NCCc1ccccc1
BDBM10755 NCCc1c[nH]c2ccc(O)cc12
BDBM11638 CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
BDBM13015 NCC(O)c1ccccc1
BDBM16173 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
BDBM21393 CCCN(CCC)C1CCc2cccc(O)c2C1
BDBM21395 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM21397 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
BDBM21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
BDBM21280 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
BDBM21342 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
BDBM22913 NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
BDBM22914 S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
BDBM22417 CNCCC(Oc1ccccc1OC)c1ccccc1
BDBM22867 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM22871 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
BDBM22888 CNC(=S)NCCCCc1cnc[nH]1
BDBM22416 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
BDBM22165 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
BDBM22199 Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
BDBM25870 CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
BDBM25392 CC(C)NCC(O)c1ccc(O)c(O)c1
BDBM25761 CC(C)NCC(O)COc1cccc2ccccc12
BDBM25764 CC(C)NCC(O)COc1ccccc1CC=C
BDBM23981 NC1CCc2ccccc2C1
BDBM26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
BDBM26948 Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
BDBM29525 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
BDBM29568 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
BDBM29135 NCCc1ccc(O)cc1
BDBM50451157 C[C@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
BDBM50451156 C[C@H]1OC(=O)N([C@@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
BDBM30702 [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41|
BDBM30703 Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
BDBM30709 [H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:36|
BDBM30712 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
BDBM31046 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
BDBM31005 Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
BDBM30130 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
BDBM32638 CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O
BDBM36187 CCCCCC(C)[NH3+]
BDBM34572 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
BDBM34652 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1
BDBM36022 [NH3+]CC(O)c1ccc(O)cc1
BDBM36024 C[NH2+]C[C@H](O)c1cccc(O)c1
BDBM35226 CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
BDBM35229 CNCCCN1c2ccccc2CCc2ccccc12
BDBM35234 NCC(O)c1ccc(O)c(O)c1
BDBM35254 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
BDBM35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
BDBM35256 [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
BDBM48320 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
BDBM50773 COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
BDBM50855 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C2CCCN2C1=O)C(C)C |c:27|
BDBM55436 C(C1=NCCN1)c1ccccc1 |t:1|
BDBM55121 NCCc1ccc(O)c(O)c1
BDBM56339 Clc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1
BDBM67545 CN(C)CCCN1c2ccccc2Sc2ccccc12
BDBM66983 CN1CCc2cccc(Cl)c2CC1
BDBM69602 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
BDBM129716 CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)|
BDBM129717 CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(N)=O)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-10.67,-3.08,;-9.34,-.77,;-8,-12.32,;-8,-13.86,)|
BDBM129718 CCNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(C)=O)CC1 |(-2.67,-21.56,;-4,-20.79,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-9.34,-5.39,;-9.34,-6.93,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-10.67,-3.08,;-8,-12.32,;-8,-13.86,)|
BDBM129719 CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N2CCOCC2)CC1 |(-4.53,8.84,;-3.2,9.61,;-1.86,8.84,;-.53,9.61,;.81,8.84,;2.14,9.61,;.81,7.3,;2.14,6.53,;-.53,6.53,;-1.86,7.3,;-.53,4.99,;-1.86,4.22,;-1.86,2.68,;-.53,1.91,;-.53,.37,;.81,-.4,;.81,-1.94,;-.53,-2.71,;-.53,-4.25,;.81,-5.02,;2.14,-4.25,;2.14,-2.71,;.81,-6.56,;2.14,-7.33,;3.47,-6.56,;2.14,-8.87,;3.47,-9.64,;3.47,-11.18,;2.14,-11.95,;.81,-11.18,;.81,-9.64,;.81,2.68,;.81,4.22,)|
BDBM129720 CCNC(=O)NC1CCC(CCN2CCN(CC2)c2nc(NC)nc(Cl)c2Cl)CC1 |(-6.67,-10.01,;-8,-9.24,;-9.34,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-10.01,;-13.34,-9.24,;-14.67,-10.01,;-16,-9.24,;-16,-7.7,;-17.34,-6.93,;-18.67,-7.7,;-20.01,-6.93,;-21.34,-7.7,;-22.67,-6.93,;-22.67,-5.39,;-21.34,-4.62,;-20.01,-5.39,;-24.01,-4.62,;-25.34,-5.39,;-26.67,-4.62,;-28.01,-5.39,;-28.01,-6.93,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-14.67,-6.93,;-13.34,-7.7,)|
BDBM129721 CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CCC(N)=O)CC2)CC1 |(-2.67,-18.48,;-4,-19.25,;-5.33,-18.48,;-6.67,-19.25,;-8,-18.48,;-9.34,-19.25,;-8,-16.94,;-9.34,-16.17,;-6.67,-16.17,;-5.33,-16.94,;-6.67,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-6.67,-11.55,;-6.67,-10.01,;-8,-9.24,;-8,-7.7,;-6.67,-6.93,;-6.67,-5.39,;-8,-4.62,;-8,-3.08,;-9.34,-2.31,;-9.34,-.77,;-8,,;-10.67,,;-9.34,-5.39,;-9.34,-6.93,;-8,-12.32,;-8,-13.86,)|
BDBM78433 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM78434 CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
BDBM78576 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
BDBM77970 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
BDBM79180 CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC |c:5,t:12|
BDBM79181 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM82217 CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM82517 COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
BDBM82479 CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
BDBM82424 COC(=O)C1C(C(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:36,t:33|
BDBM82272 Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc12
BDBM82273 COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1
BDBM82382 Cc1ccc2nc(C)c(CCN3CCC(CC3)C(=O)c3ccc(F)cc3)c(=O)n2c1
BDBM82383 CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(N)=O)c2c1
BDBM82437 CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
BDBM82438 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC
BDBM82439 CN(C)Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:9|
BDBM82548 CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|
BDBM81957 Cc1cccc2ccc(nc12)N1CCNCC1
BDBM81454 COC(CNC1CCc2cc(OC)c(OC)cc2C1)c1ccccc1
BDBM81455 CNC(C)(C)Cc1ccccc1
BDBM81456 CNC(C)CC1CCCC1
BDBM81457 C(C1COc2ccccc2O1)N1CCN(CC2COc3ccccc3O2)CC1
BDBM81458 COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
BDBM81443 [O-][N+]12CCC34C1CC1C5C3N(c3ccccc43)C(=O)CC5OCC=C1C2 |c:28|
BDBM81444 COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
BDBM81459 CC(N)Cc1ccc(O)cc1
BDBM81460 CC(C)C1N2C(=O)C(NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(OC2(O)C2CCCN2C1=O)C(C)C
BDBM81461 NNc1nncc2ccccc12
BDBM81462 OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM81463 Nc1cc(nc(=N)n1O)N1CCCCC1
BDBM81875 CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
BDBM81978 [#6]-c1nc2ccccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
BDBM81979 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5|
BDBM81980 Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM81981 Cn1c2ncn(CCN3CCC(CC3)C(=O)c3ccc(F)cc3)c2c(=O)n(C)c1=O
BDBM81483 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
BDBM81988 CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12 |r|
BDBM81991 CSc1ccc(cc1)[C@H]1CN2CCC[C@H]2c2ccccc12 |r|
BDBM81814 Cc1nc2SCCn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM81818 NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
BDBM81819 NC(NC(=O)c1nc(Cl)c(N)nc1N)=NCc1ccccc1 |w:14.15|
BDBM81946 CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1 |r|
BDBM81771 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
BDBM81950 CNc1cc(OC)c(cc1Cl)C(=O)NCCN(C)Cc1ccc(I)cc1
BDBM81954 C(CN1CCN(C\C=C\c2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
BDBM81780 CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
BDBM81445 ClCCN(Cc1ccccc1)Cc1ccccc1
BDBM81446 CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
BDBM86194 NC(CS(O)=O)C(O)=O
BDBM86195 CSCCC(N)C(O)=O
BDBM86196 N[C@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM86197 N[C@H](CCS(O)=O)C(O)=O |r|
BDBM86198 N[C@H]1CCSC1=O |r|
BDBM86199 NC(CSSCC(N)C(O)=O)C(O)=O
BDBM86201 N[C@@H](CCS(O)=O)C(O)=O |r|
BDBM86202 NC(CCS)C(O)=O
BDBM86203 NC(CS)C(O)=O
BDBM86205 N[C@@H]1CCSC1=O |r|
BDBM86036 OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
BDBM86046 CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|
BDBM86230 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12
BDBM86231 CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
BDBM86284 CNC(C)C(O)c1ccccc1
BDBM86052 CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
BDBM86053 Nc1nc2CCN(CC=C)CCc2s1
BDBM86057 CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
BDBM86058 COc1ccc2ccccc2c1CCCCN1CCN(C[C@@H](N2CCN(CC2)C(C)C)c2ccc(F)cc2)CC1
BDBM86475 CCCN1CCOC2C1CCc1ccc(cc21)C(N)=O
BDBM86187 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN3CCN(C)CC3)c2c1 |w:18.19|
BDBM84637 CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
BDBM85027 COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
BDBM84950 CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
BDBM84951 COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1
BDBM84991 Cc1cc(NC(=O)Nc2ccc3n(C)ccc3c2)sn1
BDBM84994 CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
BDBM84745 CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
BDBM84978 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
BDBM84979 OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
BDBM85067 Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM85595 Fc1cccc2OC3CNCC3Oc12
BDBM85195 CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
BDBM85672 O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|
BDBM85805 COc1ccc2CC(CN(C)C)(c2c1)C1(O)CCCCC1
BDBM85197 Clc1cccc(c1)N1CCN(CCCn2[nH]c(=O)n(CCOc3ccccc3)c2=O)CC1
BDBM85198 CC(O)c1nn(CCCN2CCN(CC2)c2ccc(Cl)cc2)c(=O)n1CCOc1ccccc1
BDBM85709 NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
BDBM85818 CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
BDBM85833 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
BDBM85092 C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
BDBM85190 NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
BDBM85225 CC(C)n1nc(C(=O)NCCN2CCC(CC2)NC(=O)OCc2ccccc2)c2ccccc12
BDBM85226 CC(C)n1nc(C(=O)NCCN2CCC(CC2)C23CC4CC(CC(C4)C2)C3)c2ccccc12 |TLB:24:19:26:25.23.22,24:23:18.19.20:26,THB:22:21:18:25.23.24,22:23:18:21.20.26|
BDBM85227 CC(C)n1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc12
BDBM85228 CC(C)n1nc(C(=O)NC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
BDBM84342 CNCC(O)c1ccc(O)c(O)c1
BDBM86843 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)c(F)c1 |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-26.67,-4.62,;-25.34,-2.31,)|
BDBM86708 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
BDBM86709 COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
BDBM86710 COc1ccc(Br)c(c1)N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1
BDBM86748 CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
BDBM86844 COc1ccc(Cl)cc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C |(-24.01,-4.62,;-24.01,-3.08,;-25.34,-2.31,;-26.67,-3.08,;-28.01,-2.31,;-28.01,-.77,;-29.34,,;-26.67,,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,)|
BDBM86845 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(F)cccc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-26.67,1.54,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
BDBM86846 CCOc1ccccc1OCCNC(C)Cc1ccc(OC)c(c1)S(N)(=O)=O
BDBM86847 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(Cl)cc(Cl)cc1Cl |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-26.67,1.54,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
BDBM86848 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cc(F)ccc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-29.34,,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
BDBM86849 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)NCc1cccc(F)c1 |(5.33,-12.32,;5.33,-13.86,;6.67,-14.63,;4,-14.63,;4,-16.17,;5.33,-16.94,;5.33,-18.48,;4,-19.25,;2.67,-18.48,;2.67,-16.94,;1.33,-16.17,;,-16.94,;-1.33,-16.17,;-1.33,-14.63,;,-13.86,;1.33,-14.63,;-2.67,-13.86,;-4,-14.63,;-5.33,-13.86,;-5.33,-12.32,;-4,-11.55,;-2.67,-12.32,;-6.67,-11.55,;-8,-12.32,;-8,-13.86,;-9.34,-11.55,;-10.67,-12.32,;-12,-11.55,;-12,-10.01,;-13.34,-9.24,;-14.67,-10.01,;-14.67,-11.55,;-16,-12.32,;-13.34,-12.32,)|
BDBM86850 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-29.34,-3.08,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
BDBM86851 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccccc1Cl |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-25.34,-2.31,;-26.67,-3.08,;-28.01,-2.31,;-28.01,-.77,;-26.67,,;-26.67,1.54,)|
BDBM86852 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(Cl)cccc1Cl |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-26.67,1.54,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-24.01,-3.08,)|
BDBM86853 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cccc(Cl)c1 |(-10.67,-3.08,;-10.67,-4.62,;-9.34,-5.39,;-12,-5.39,;-12,-6.93,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-16,-7.7,;-17.34,-6.93,;-17.34,-5.39,;-16,-4.62,;-14.67,-5.39,;-18.67,-4.62,;-20.01,-5.39,;-21.34,-4.62,;-21.34,-3.08,;-20.01,-2.31,;-18.67,-3.08,;-22.67,-2.31,;-22.67,-.77,;-21.34,,;-24.01,,;-25.34,-.77,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-26.67,-4.62,;-25.34,-2.31,)|
BDBM86854 COc1ccc(NC(=O)NC2CCC(CC2)N2CCN(CC2)c2ccccc2OC(C)C)c(OC)c1 |(-29.34,-4.62,;-29.34,-3.08,;-28.01,-2.31,;-28.01,-.77,;-26.67,,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,;-25.34,-2.31,;-24.01,-3.08,;-24.01,-4.62,;-26.67,-3.08,)|
BDBM86855 COc1ccccc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C |(-25.34,2.31,;-26.67,1.54,;-26.67,,;-28.01,-.77,;-28.01,-2.31,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,,;-22.67,-.77,;-21.34,,;-22.67,-2.31,;-21.34,-3.08,;-21.34,-4.62,;-20.01,-5.39,;-18.67,-4.62,;-18.67,-3.08,;-20.01,-2.31,;-17.34,-5.39,;-17.34,-6.93,;-16,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-16,-4.62,;-13.34,-7.7,;-13.34,-9.24,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-12,-6.93,;-12,-5.39,;-10.67,-4.62,;-10.67,-3.08,;-9.34,-5.39,)|
BDBM86731 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
BDBM86691 CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
BDBM86692 CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
BDBM86693 CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
BDBM86698 CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
BDBM96559 C1CN=C(N1)C1CCCc2ccccc12 |c:2|
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM112777 [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM50004327 OC(C1CCN(CCc2ccccc2)CC1)c1ccccc1
BDBM50003331 CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1
BDBM50001775 [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
BDBM50001782 CC(C)N1CCN(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O
BDBM50001786 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50001800 Cc1c(-c2ccc(F)cc2)c2cc(C)ccc2n1C1CCN(CCN2CCNC2=O)CC1
BDBM50001801 CN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
BDBM50001802 Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
BDBM50001803 Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1CCN(CCN2CCNC2=O)CC1
BDBM50001804 Cc1cccc2n(cc(-c3ccc(F)cc3)c12)C1CCN(CCN2CCNC2=O)CC1
BDBM50001805 Cc1cccc2c(cn(C3=CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1 |t:9|
BDBM50001806 Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50001807 Cc1c(-c2ccc(F)cc2)c2cc(C)ccc2n1C1=CCN(CCN2CCNC2=O)CC1 |t:21|
BDBM50001808 CC(C)N1CCN(CCN2CCC(CC2)n2cc(-c3ccc(F)cc3)c3cc(C)ccc23)C1=O
BDBM50001809 CN1CCC(CC1)n1c(C)c(-c2ccc(F)cc2)c2cc(C)ccc12
BDBM50001810 CN1CCN(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
BDBM50001811 Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1=CCN(CCN2CCNC2=O)CC1 |t:20|
BDBM50001812 Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(F)cc12
BDBM50001813 CNC(=O)N(C)CCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
BDBM50001814 Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
BDBM50001815 Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(cc12)C(F)(F)F
BDBM50001816 Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(Cl)cc12
BDBM50001817 CN(C)C(=O)NCCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
BDBM50001955 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
BDBM50002173 Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
BDBM50001862 COc1ccccc1N1CCNCC1
BDBM50001884 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50001888 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
BDBM50001901 Clc1ccccc1N1CCNCC1
BDBM50002338 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
BDBM50001915 Clc1cccc(c1)N1CCNCC1
BDBM50001922 C(C1=NCCN1)c1cccc2ccccc12 |t:1|
BDBM50005246 CC(N)Cc1ccccc1
BDBM50005548 CN1CC(c2ccccc2)c2cccc(N)c2C1
BDBM50005127 O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
BDBM50005836 COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
BDBM50005833 COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
BDBM50005834 CC(C)n1c2ccccc2n(C(=O)CC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18,THB:22:21:14.20.15:17.18|
BDBM50005118 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
BDBM50008735 CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
BDBM50007550 CN(C)C1CCC2(C=C1)c1ccccc1C=Cc1ccc(Cl)cc21 |c:7,17|
BDBM50007551 CN(C)C1CCC2(C=C1)c1ccccc1CCc1ccc(Cl)cc21 |c:7|
BDBM50006961 CN(C)CCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
BDBM50007518 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
BDBM50007534 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
BDBM50006950 O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccccc1
BDBM50006952 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50006953 COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
BDBM50006954 Clc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50006955 COc1ccc(cc1)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50006956 O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCCC1
BDBM50006957 CCN(CC)CCCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
BDBM50006958 COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50006959 CCOC(=O)N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
BDBM50006960 CCN(CC)CCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
BDBM50006962 O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCNCC1
BDBM50006963 O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCOCC1
BDBM50006964 O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCCCC1
BDBM50006965 CN(C)CCCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
BDBM50009057 CNC(C)Cc1ccccc1
BDBM50013515 COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50010873 COc1ccc(cc1Br)C(CN(C)C)C1(O)CCCCC1
BDBM50010877 CN(C)CC(c1ccc(cc1)C(F)(F)F)C1(O)CCCCC1
BDBM50010878 COc1ccc(cc1OC)C(CN(C)C)C1(O)CCCCC1
BDBM50010884 CN(C)CC(c1cccc(c1)C(F)(F)F)C1(O)CCCCC1
BDBM50010885 COc1ccc(cc1)C(CN1CCOCC1)C1(O)CCCCC1
BDBM50010886 COc1ccc(cc1)C(CN1CCCC1)C1(O)CCCCC1
BDBM50010889 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCCCC1
BDBM50010890 COc1ccc(cc1)C(CN1CCCCC1)C1(O)CCCCC1
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
BDBM50010864 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCCC1
BDBM50010865 CN(C)CC(c1ccc(cc1)[N+]([O-])=O)C1(O)CCCCC1
BDBM50010880 CN(C)CC(c1ccc(C)cc1)C1(O)CCCCC1
BDBM50010883 CN(C)CC(c1ccc(N)cc1)C1(O)CCCCC1
BDBM50010887 CN(C)CC(c1ccccc1Br)C1(O)CCCCC1
BDBM50010888 COc1ccc(cc1)C(CN)C1(O)CCCCC1
BDBM50010685 Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
BDBM50010858 CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1
BDBM50010860 CN(C)CC(c1ccccc1Cl)C1(O)CCCCC1
BDBM50010861 CN(C)CC(c1ccccc1O)C1(O)CCCCC1
BDBM50010862 COc1ccc(cc1)C(CN(C)C)C1(O)CCCC1
BDBM50010863 CN(C)CC(c1ccccc1)C1(O)CCCCC1
BDBM50010866 COc1cccc(c1)C(CN(C)C)C1(O)CCCC1
BDBM50010867 CN(C)CC(c1cccc(Br)c1)C1(O)CCCCC1
BDBM50010870 CN(C)CC(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1
BDBM50010872 CN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1
BDBM50010874 CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1
BDBM50010876 CN(C)CC(c1ccc(Br)cc1)C1(O)CCC1
BDBM50010879 COc1cccc(c1)C(CN(C)C)C1(O)CCCCC1
BDBM50014247 COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
BDBM50017720 C(C1COc2ccccc2O1)N1CCCCC1
BDBM50017519 CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
BDBM50017550 CCCNC1CCc2nc(N)sc2C1
BDBM50017674 CN(C)CCOC(c1ccccc1)c1ccccc1
BDBM50017679 CC(COc1ccccc1)N(CCCl)Cc1ccccc1
BDBM50017696 CC(CN1c2ccccc2Sc2ccccc12)N(C)C
BDBM50016017 CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
BDBM50016897 Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
BDBM50019057 CNCC(O)c1cc(O)c(O)cc1F
BDBM50019059 CNCC(O)c1ccc(O)c(O)c1F
BDBM50019060 NCC(O)c1ccc(O)c(O)c1F
BDBM50019061 NCC(O)c1cc(O)c(O)cc1F
BDBM50022784 CNCCC(Oc1ccccc1C)c1ccccc1
BDBM50022722 CC(N)C(O)c1ccccc1
BDBM50455096 COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|
BDBM50455098 COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(=O)Nc2ccccc32)CC1 |r,c:16|
BDBM50021217 CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
BDBM50019848 C1CN=C(N1)C1COc2ccccc2O1 |c:2|
BDBM50020712 [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM50020819 CNCCc1ccc(O)c(NS(C)(=O)=O)c1
BDBM50020680 CCCN(CCC)CCc1cccc2NC(=O)Cc12
BDBM50021895 COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1
BDBM50025206 C[NH+](C)C1CCc2cc(O)c(O)cc2C1
BDBM50024205 Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
BDBM50028066 N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM50029050 CNC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50029051 NC[C@H](O)c1ccc(O)c(O)c1 |r|
BDBM50028091 COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
BDBM50028421 CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
BDBM50029257 CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
BDBM50029266 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1
BDBM50029275 CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
BDBM50027502 CC(N)C(O)c1ccc(O)c(O)c1
BDBM50026952 CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1 |wU:11.13,4.3,TLB:12:11:6.7:10.9,THB:3:4:6.7:10.9,(4.42,-5.07,;3.76,-3.67,;2.22,-3.53,;4.65,-2.41,;4,-1.01,;5.68,-.26,;5.79,1.35,;5.19,2.75,;5.16,1.21,;6.61,.69,;7.15,-.75,;3.76,.53,;2.43,1.3,;1.1,.53,;-.23,1.3,;-.23,2.84,;-1.58,3.63,;1.1,3.61,;1.1,5.15,;2.43,2.84,)|
BDBM50027056 [#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\c1cccc2-[#6]-[#6]-[#6]-[#6]-c12
BDBM50027058 COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50027060 C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
BDBM50027065 CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4|
BDBM50026773 COc1ccc(OC)c2C3CCC(C[C@H]3N)c12
BDBM50026774 COc1ccc(OC)c2C3CCCN[C@@H]3CCc12
BDBM50026775 COc1ccc(OC)c2CC(N)Cc12
BDBM50026776 COc1ccc(OC)c2C3[C@H](N)C3Cc12
BDBM50026777 COc1ccc(OC)c(c1)C(O)C(C)N
BDBM50026778 COc1ccc(OC)c(CCN)c1
BDBM50026779 COc1ccc(OC)c2C3CCCN[C@H]3CCc12
BDBM50026780 COc1ccc(OC)c2CC(N)CCCc12
BDBM50026781 COc1ccc(OC)c2C3CCC(C[C@@H]3N)c12
BDBM50026782 COc1ccc(OC)c2CNCCc12
BDBM50026783 COc1ccc(OC)c2CC(N)CCc12
BDBM50026636 COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
BDBM50026917 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50026928 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1
BDBM50026941 Clc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50004767 COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50004769 C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
BDBM50026044 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Br)c1OC
BDBM50026045 CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
BDBM50026051 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(CC)c1OC
BDBM50026053 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(Br)c1OC
BDBM50026059 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)ccc1OC
BDBM50002730 Cl.COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3ccccc3cc2O1 |r|
BDBM50002731 Cl.COc1ccc2ccccc2c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1 |r|
BDBM50002732 Cl.COc1ccc2CCCCc2c1OCCNC[C@@H]1COc2ccccc2O1 |r|
BDBM50002733 Cl.COc1ccc(cc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1 |r|
BDBM50002734 Cl.COc1cc(ccc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1 |r|
BDBM50002735 Cl.COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 |r|
BDBM50002729 Cl.COc1cccc(OC)c1OCCNC[C@@H]1COc2cc3CCCCc3cc2O1 |r|
BDBM50000212 C(Oc1ccccc1-c1ncc[nH]1)C1=NCCN1 |t:15|
BDBM50000213 Cc1cnsc1-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000214 C(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
BDBM50000195 C(Oc1ccccc1-c1ccoc1)C1=NCCN1 |t:15|
BDBM50000196 C(Oc1ccccc1-c1ccncn1)C1=NCCN1 |t:16|
BDBM50000216 C(Oc1ccccc1-c1cccs1)C1=NCCN1 |t:15|
BDBM50000217 C(Oc1ccccc1-c1ncccn1)C1=NCCN1 |t:16|
BDBM50000218 C(Oc1ccccc1-c1cnccn1)C1=NCCN1 |t:16|
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50000197 C(Oc1ccccc1-c1ccco1)C1=NCCN1 |t:15|
BDBM50000198 Cn1nccc1-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000206 Cc1cc(sn1)-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000215 CS(=O)(=O)Nc1ccc(F)c(c1)[C@@H](O)CN
BDBM50033852 COc1cccc2C(CCCN3CCN(CC3)c3ccccn3)CCCc12
BDBM50000200 CCN(CC)C(=O)c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000201 Cc1cccnc1-c1ccccc1OCC1=NCCN1 |t:17|
BDBM50000202 Cc1ccc(s1)-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000204 Cc1csc(n1)-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50000205 C(Oc1ccccc1-c1cc[nH]n1)C1=NCCN1 |t:15|
BDBM50000203 Cc1cccc(n1)-c1ccccc1OCC1=NCCN1 |t:17|
BDBM50000209 C(Oc1ccccc1-c1ccncc1)C1=NCCN1 |t:16|
BDBM50000210 C(Oc1ccccc1-c1ccsc1)C1=NCCN1 |t:15|
BDBM50000207 C(Oc1ccccc1-c1ccns1)C1=NCCN1 |t:15|
BDBM50000208 C(Oc1ccccc1-c1nccs1)C1=NCCN1 |t:15|
BDBM50033312 Clc1ccc2nc(nc(NCc3ccccc3)c2c1)-n1ccnc1
BDBM50033109 COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
BDBM50033110 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1
BDBM50033111 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
BDBM50033112 COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
BDBM50033113 O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
BDBM50031942 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24|
BDBM50454212 CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C
BDBM50031475 COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CN2CCC1CC2 |wU:13.13,TLB:12:13:17.16:19.20,(11.11,-14.18,;11.11,-12.63,;9.77,-11.88,;8.43,-12.66,;7.09,-11.89,;5.75,-12.66,;7.09,-10.33,;5.76,-9.57,;8.43,-9.56,;9.75,-10.36,;11.09,-9.59,;11.11,-8.04,;12.44,-10.36,;13.77,-9.59,;14.8,-8.58,;16.63,-8.19,;17.94,-9.45,;16.9,-10.39,;15.57,-9.1,;15.88,-7.77,;16.88,-7.14,)|
BDBM50030613 CNC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50030614 CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
BDBM50030615 CCc1sc2ccc(Cl)c3CCN(C)Cc1c23
BDBM50030617 Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
BDBM50030619 CN1CCc2c(Cl)ccc3oc(Br)c(C1)c23
BDBM50030621 COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
BDBM50030623 [#6]-[#7]-1-[#6]-[#6]-c2c(Cl)ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-1
BDBM50030624 COC(=O)c1c(C)nc(C)c(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50036764 O=C1c2ccccc2CCC11CCN(Cc2ccccc2)CC1
BDBM50035057 C1CN(CCN1)c1cccc2OCCOc12
BDBM50035513 COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ccccn2)CC1
BDBM50034682 COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50034683 COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50034681 COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
BDBM50040253 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
BDBM50455469 COc1cc2nc(nc(N)c2cc1OC)N1CCN[C@H](C1)C(=O)NC(C)(C)C
BDBM50040260 COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1 |c:17|
BDBM50004770 COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
BDBM50004772 COc1cccc(OC)c1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
BDBM50007682 [H][C@]12CCN(CCCc3noc4ccccc34)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
BDBM50004766 COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50004768 C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50050467 OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1
BDBM50048803 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
BDBM50048392 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
BDBM50053188 CN(CCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50053189 CN(C)CCCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50053190 CN(CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O
BDBM50053191 Fc1ccc(cc1)-n1cc(OCCN(CCN2CCNC2=O)CC#C)c2cc(Cl)ccc12
BDBM50053192 CN1CCN(CCOc2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
BDBM50053193 CN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
BDBM50053194 CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50053195 CN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12
BDBM50053196 CN(C)CCCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50053197 Fc1ccc(cc1)-n1cc(OCCN2CCOCC2)c2cc(Cl)ccc12
BDBM50053198 Fc1ccc(cc1)-n1cc(OCCN2CCCCC2)c2cc(Cl)ccc12
BDBM50053199 CN(CCSc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
BDBM50053200 CN(CCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12
BDBM50053201 CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
BDBM50053202 CN(CCCCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50053203 CN(C)CCSc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50053204 CN(C)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50053205 CN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50053206 CC(C)N1CCN(CCN(C)CCOc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O
BDBM50053207 CN(C)CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12
BDBM50053208 CC(C)N1CCN(CCN(C)CCc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O
BDBM50053209 CN(C)CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50053210 CN(C)CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50053211 CN(C)CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12
BDBM50053212 CN(CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
BDBM50053213 CN(CCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
BDBM50050913 COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1
BDBM50050915 COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1
BDBM50050916 COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
BDBM50050917 COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccc(C)cc1
BDBM50051563 NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@H]2OCCc3ccccc23)CC1
BDBM50056101 Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
BDBM50054351 Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50054354 Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(Cl)c1
BDBM50054355 Oc1c2CCCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM50054359 COc1ccccc1N1CCN(CCCn2c(O)c3CCCn3c2=O)CC1
BDBM50054362 COc1ccccc1N1CCN(CCCCn2c(O)c3CCCCn3c2=O)CC1
BDBM50054387 COc1ccccc1N1CCN(CCCn2c(O)c3CCCCn3c2=O)CC1
BDBM50054391 Oc1c2CCCCn2c(=O)n1CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM50054392 Oc1c2CCCn2c(=O)n1CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM50054393 Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
BDBM50054395 COc1ccccc1N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
BDBM50059467 FC(F)(F)c1cccc(c1)N1CCN(CCCN2CC3CCCCN3C2)CC1
BDBM50059468 COc1ccccc1N1CCN(CCCN2CC3CCCCN3C2)CC1
BDBM50059469 Clc1cccc(c1)N1CCN(CCCCN2CC3CCCCN3C2)CC1
BDBM50059470 COc1ccccc1N1CCN(CCCCN2CC3CCCCN3C2)CC1
BDBM50059471 FC(F)(F)c1cccc(c1)N1CCN(CCCCN2CC3CCCN3C2)CC1
BDBM50059472 FC(F)(F)c1cccc(c1)N1CCN(CCCCN2CC3CCCCN3C2)CC1
BDBM50059473 Clc1cccc(c1)N1CCN(CCCCN2CC3CCCN3C2)CC1
BDBM50059474 FC(F)(F)c1cccc(c1)N1CCN(CCCN2CC3CCCN3C2)CC1
BDBM50059475 COc1ccccc1N1CCN(CCCCN2CC3CCCN3C2)CC1
BDBM50059476 COc1ccccc1N1CCN(CCCN2CC3CCCN3C2)CC1
BDBM50057449 Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
BDBM50057453 COc1ccccc1N1CCN(CCCCOc2cccc3c2oc(-c2ccccc2)c(C)c3=O)CC1
BDBM50057456 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
BDBM50057462 COc1ccccc1N1CCN(CCCC(=O)c2cccc3c2oc(-c2ccccc2)c(C)c3=O)CC1
BDBM50057463 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C
BDBM50057465 COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
BDBM50057471 CC(=O)CC(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1
BDBM50057496 COc1ccccc1N1CCN(CCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
BDBM50060964 CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
BDBM50060965 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
BDBM50060417 Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
BDBM50066109 COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1 |c:16|
BDBM50064171 C(N1CCC2(CC1)CCc1ccccc1O2)c1ccccc1
BDBM50064172 C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1
BDBM50064173 O=S1(=O)c2ccccc2CCC11CCN(Cc2ccccc2)CC1
BDBM50064175 O=S1c2ccccc2CCC11CCN(Cc2ccccc2)CC1
BDBM50063906 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)c1ccco1
BDBM50063907 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
BDBM50063908 COc1cc2nc(nc(N)c2cc1OC)N1CCN[C@@H](C1)C(=O)NC(C)(C)C
BDBM50068814 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
BDBM50068815 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(O)(CC1)c1ccccc1 |c:4,t:1|
BDBM50068816 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(C)(CC1)c1ccccc1 |c:4,t:1|
BDBM50068817 CC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:13,t:16|
BDBM50068818 CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
BDBM50068819 COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
BDBM50068820 CNC(=O)C1C(C(C(=O)NCCCN2CCC(CN(C)C)(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
BDBM50068821 COCCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:17,t:20|
BDBM50068822 CN(C)C(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
BDBM50068823 CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1)c1ccccc1 |c:15,t:18|
BDBM50068824 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCC#N)CC1)c1ccccc1 |c:14,t:17|
BDBM50068825 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
BDBM50068826 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCCCC1 |c:4,t:1|
BDBM50068827 CCOC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
BDBM50068828 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
BDBM50068829 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCO)CC1)c1ccccc1 |c:14,t:17|
BDBM50068830 CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
BDBM50068831 CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:15,t:18|
BDBM50068832 CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:29,t:26|
BDBM50068833 CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
BDBM50068834 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(O)=O)CC1)c1ccccc1 |c:14,t:17|
BDBM50068835 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)Oc1ccccc1)c1ccccc1 |c:4,t:1|
BDBM50068836 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1 |c:4,t:1|
BDBM50068837 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OCCO)c1ccccc1 |c:4,t:1|
BDBM50068838 CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1 |c:15,t:18|
BDBM50068839 COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:17|
BDBM50068840 CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
BDBM50069447 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
BDBM50073556 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC(=O)c1ccccc1
BDBM50073559 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C(C)Oc1c(OC)cccc1C(C)C
BDBM50073563 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1
BDBM50073565 COc1ccccc1OCC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50073566 COc1cccc(OC)c1OCC(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50073570 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccco1
BDBM50073573 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCC(=O)c1ccccc1
BDBM50073025 COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
BDBM50073026 COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
BDBM50073027 Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
BDBM50073028 Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
BDBM50073444 Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
BDBM50071688 CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1
BDBM50071689 COC(=O)C1(CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1)c1ccccc1
BDBM50071645 COc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
BDBM50071646 O=C1N(CCCCN2CCC(CC2)n2c3ccccc3oc2=O)S(=O)(=O)c2ccccc12
BDBM50071647 Clc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071648 Cc1cccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c12
BDBM50071649 Fc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071650 Cc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
BDBM50071651 Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071652 Fc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
BDBM50071653 [O-][N+](=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
BDBM50071654 CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071655 COc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071656 O=C1N(CCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)c2ccccc12
BDBM50071657 Cc1cc(C)c2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1
BDBM50071658 CS(=O)(=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
BDBM50071659 O=C1N(CCCCN2CCC(CC2)n2c3cc4CCCCc4cc3oc2=O)S(=O)(=O)c2ccccc12
BDBM50071660 Cc1ccc2oc(=O)n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c2c1
BDBM50071661 [O-][N+](=O)c1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
BDBM50071662 COC(=O)c1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
BDBM50071685 CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1
BDBM50072822 OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O
BDBM50076429 COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
BDBM50007659 Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12CC[NH+](CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3N(C)CCN2c13 |r|
BDBM50074002 C(Cc1cccc2ccccc12)N1CCC2(CC1)CCc1ccccc1O2
BDBM50074003 O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc12
BDBM50074004 O=C1CC2(CCN(CCc3ccccn3)CC2)Oc2ccccc12
BDBM50074005 CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4ccccn4)CC3)Oc2c1
BDBM50074006 O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc12
BDBM50074007 Cc1noc(C)c1S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
BDBM50074008 Cc1[nH]c2ccccc2c1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
BDBM50074009 COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
BDBM50074010 C(Cc1cccc2ccccc12)N1CCC2(CC1)Oc1ccccc1C=C2 |c:29|
BDBM50074011 O=C1c2ccccc2CC11CCN(CCc2cccc3ccccc23)CC1
BDBM50074012 Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
BDBM50074013 CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4cccc5ccccc45)CC3)Oc2c1
BDBM50074014 O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc12
BDBM50079527 CN(C)CC\C=C1\c2ccccc2COc2ccccc12
BDBM50082837 COCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1cc(F)c(F)cc1F)C(=O)OC |t:3|
BDBM50082838 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(cc1)C(C)=O |c:4|
BDBM50082839 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@@H]1C)c1ccccc1[N+]([O-])=O |c:4|
BDBM50082840 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1 |c:4|
BDBM50082841 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:4|
BDBM50082842 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1[N+]([O-])=O |c:4|
BDBM50082843 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1O |c:4|
BDBM50082844 CCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
BDBM50082845 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C#N |c:4|
BDBM50082846 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1 |c:4|
BDBM50082847 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(=O)OC |c:4|
BDBM50082848 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(Cl)cc1 |c:4|
BDBM50082849 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(OC)cc1C |c:4|
BDBM50082850 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccc(OC)cc1 |c:4|
BDBM50082851 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@H]1C)c1ccccc1[N+]([O-])=O |c:4|
BDBM50082852 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC |c:4|
BDBM50082853 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1cccc(c1)C(F)(F)F |c:4|
BDBM50082854 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1cccc(c1)[N+]([O-])=O |c:4|
BDBM50082855 CC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:3|
BDBM50082856 COCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082857 CCOc1ccccc1N1CCN(CCCNC(=O)N2C(C(C(=O)OC)=C(C)NC2=O)c2ccc(F)c(F)c2)CC1 |t:26|
BDBM50082858 CCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)cc1F)C(=O)OC |t:2|
BDBM50082859 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C |c:4|
BDBM50082860 COC(=O)C1=C(C)NC(=O)N(C1c1cc(F)c(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:4|
BDBM50082861 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1Cl |c:4|
BDBM50082862 CC(=O)C1=C(C)NC(=O)N(C1c1cc(F)c(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:3|
BDBM50082863 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(=O)OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082864 CNC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)cc1F |c:4,t:7|
BDBM50082865 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082866 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082867 COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082868 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082869 COC(=O)C1(CCN(CCCCCN2C(C(C(N)=O)=C(C)N=C2C)c2ccc(F)cc2F)CC1)c1ccccc1 |c:21,t:18|
BDBM50082870 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082784 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2|
BDBM50082785 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)OC |t:2|
BDBM50082786 COC(=O)C1=C(C)NC(=O)N(C1c1cccc(C)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082787 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082828 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)C(=O)Oc1ccccc21 |c:4|
BDBM50082829 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC)c1ccccc1 |c:4|
BDBM50082871 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)cc1F |c:4,t:7|
BDBM50082872 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082873 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082874 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082875 COCC1=C(C(N(CCCCCN2CCC(CC2)(C#N)c2ccccc2)C(C)=N1)c1ccc(F)c(F)c1)C(=O)OC |c:29,t:3|
BDBM50082876 COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082877 COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082878 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2C(F)(F)F)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082879 COCC1=NC(C)=C(C(N1CCCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(F)c(F)c1)C(=O)OC |c:6,t:3|
BDBM50082880 COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(c2ccc(C)cc2)c2ccccc2C)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082881 COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082882 COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082883 COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(CC3)(C(=O)OC)c3ccccc3)c2)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082884 COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
BDBM50082831 CCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
BDBM50082833 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(C)(CC1)c1ccccc1 |c:4|
BDBM50082834 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)N1CCC(CC1)N1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082835 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |c:4|
BDBM50082788 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4|
BDBM50082789 COC(=O)C1=C(C)NC(=O)N(C1c1cccc(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082790 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(N)=O |t:2|
BDBM50082791 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(Cl)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082792 COC(=O)C1=C(C)NC(=O)N(C1c1ccc2nonc2c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082793 COC(=O)C1(CCN(CCCNC(=O)N2C(C(C(O)=O)=C(C)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:19|
BDBM50082794 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
BDBM50082795 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(C)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082796 COC(=O)C1=C(C)NC(=O)N(C1c1cccc(Cl)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082797 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082798 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)cc1F)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082799 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)cc1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082800 CNC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
BDBM50082801 CCOC(=O)C1=C(C)NC(=O)N(C1c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:5|
BDBM50082802 COC(=O)C1(CCN(CCCNC(=O)N2C(C(C(N)=O)=C(C)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:19|
BDBM50082803 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NC |t:2|
BDBM50082804 CCC1=C(C(N(C(=O)NCCC(C)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2|
BDBM50082805 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1 |c:4|
BDBM50082806 COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2F)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082807 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CCCc3ccccc23)CC1 |c:4|
BDBM50082808 COCC1=C(C(N(C(=O)NCCCN2CCC(C)(CC2)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082809 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:4|
BDBM50082810 COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082811 COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082812 COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2cccc(F)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082813 COC(=O)C1C(N(CC(=O)NCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1 |c:33|
BDBM50082814 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OC(=O)Cc1ccccc21 |c:4|
BDBM50082815 CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
BDBM50082816 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1 |c:4|
BDBM50082817 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4|
BDBM50082818 COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50082819 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:4|
BDBM50082820 COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1cc(F)c(F)c(F)c1)C(=O)OC |t:3|
BDBM50082821 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OCCc1ccccc21 |c:4|
BDBM50082822 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1 |c:4|
BDBM50082823 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21 |c:4|
BDBM50082824 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OC(=O)c1ccccc21 |c:4|
BDBM50082825 COC(=O)C1C(N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1 |c:32|
BDBM50082826 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC(C)=O)c1ccccc1 |c:4|
BDBM50082827 COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(C)cc1)c1ccccc1C |c:4|
BDBM50081824 CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
BDBM50081825 CC1=NC(CCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:8,t:1|
BDBM50081826 CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
BDBM50081827 CCCCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:16,t:5|
BDBM50081828 CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
BDBM50081829 CC1=NC(CCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:1|
BDBM50081830 CCC1=C(C(C(C(N)=O)C(COCCN)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:2|
BDBM50081831 CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N=C1COCCN)c1ccc(cc1)[N+]([O-])=O |c:38,t:34|
BDBM50081832 CN(C)CC1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
BDBM50081817 CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
BDBM50081819 CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
BDBM50081833 COC(=O)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
BDBM50081820 CC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:8,t:1|
BDBM50081821 CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
BDBM50081822 COc1ccc(cc1)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:19,t:26|
BDBM50081823 CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
BDBM50080011 Oc1ccc(\C=C\C(=O)NCCCCc2ccccc2)cc1
BDBM50080016 Oc1ccc(\C=C\C(=O)N2CCC(Cc3ccccc3)CC2)cc1
BDBM50080017 C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
BDBM50080023 Oc1ccc(CCNC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1
BDBM50084996 COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
BDBM50084997 Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:36|
BDBM50084998 COC(=O)C1(CCN(CCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:15|
BDBM50084999 [O-][N+](=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
BDBM50085000 COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3nonc3c2)CC1)c1ccccc1 |t:16|
BDBM50085001 COC(=O)C1(CCN(CCCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:17|
BDBM50085002 Fc1ccc(cc1F)C1N(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C(=O)NC2=C1C(=O)OC2 |c:41|
BDBM50085003 NC(=O)c1ccccc1N1CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1 |t:22|
BDBM50085004 COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1 |t:16|
BDBM50085005 COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc3OCOc3c2)CC1)c1ccccc1 |t:16|
BDBM50084959 CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
BDBM50083342 Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
BDBM50088394 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
BDBM50088395 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
BDBM50088396 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)[N+]([O-])=O)CC1
BDBM50088397 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088398 COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088399 COC(CNC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(F)c1)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088400 COc1ccc(cc1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088401 COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088402 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(Cl)cc2)CC1
BDBM50088403 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(C)c2)CC1
BDBM50088404 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
BDBM50088405 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1
BDBM50088406 COc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088407 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088408 COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088409 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
BDBM50088410 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)C(C)(C)C)CC1
BDBM50088411 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088412 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(Cl)c(Cl)c2)CC1
BDBM50088413 CC(C)Oc1ccccc1N1CCN(C[C@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088414 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(O)cc2)CC1
BDBM50088415 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(F)cc2)CC1
BDBM50088416 CC(C)Oc1ccccc1N1CCN(C[C@@H](O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1
BDBM50088417 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(Cl)c2)CC1
BDBM50088418 COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[C@H](O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088419 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(C)cc2)CC1
BDBM50088389 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)N(C)C)CC1
BDBM50088390 CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccccc2)CC1
BDBM50088391 COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(=O)NCC(O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088392 CCOc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc(F)c2)CC1
BDBM50088393 COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)NC[C@@H](O)CN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088697 CC(C)Oc1cc(F)ccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1
BDBM50088698 CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1
BDBM50088699 CC(C)Oc1ccccc1N1CCN(CC(=O)CC(=O)CN2CCCCC2=O)CC1
BDBM50088700 CC(C)Oc1ccccc1N1CCN(CC(O)CC(=O)CN2CCCCC2=O)CC1
BDBM50088701 Fc1ccc(N2CCN(CCNC(=O)CN3CCCCC3=O)CC2)c(OCC(F)(F)F)c1
BDBM50088702 CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCC2=O)CC1
BDBM50088703 CC(C)Oc1ccccc1N1CCN(CCNC(=O)CN2CCCCCC2=O)CC1
BDBM50088704 CC(C)Oc1ccccc1N1CCN(CC1)C=CCC(=O)CN1CCCCC1=O |w:16.17|
BDBM50088705 CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1
BDBM50088706 CC(C)Oc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
BDBM50088707 CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(CC1)c1ccccc1OC(C)C
BDBM50088708 COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
BDBM50087024 CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
BDBM50087462 COc1cccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c12
BDBM50087463 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncncc6sc5c4=O)C[C@@H]3CCc12
BDBM50087464 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)[N+]([O-])=O)C[C@@H]3CCc12
BDBM50087465 COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
BDBM50087466 COc1cccc2C3CN(CCCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
BDBM50087467 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccncc6sc5c4=O)C[C@@H]3CCc12
BDBM50087468 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(N)=O)C[C@@H]3CCc12
BDBM50087469 COC(=O)c1ccc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2c1
BDBM50087470 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C(=O)N(C)C)C[C@@H]3CCc12
BDBM50087471 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncc(nc6sc5c4=O)-c4ccccc4)C[C@@H]3CCc12
BDBM50087472 COc1ccc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2n1
BDBM50087473 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C#N)C[C@@H]3CCc12
BDBM50087474 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6c(Cl)cccc6sc5c4=O)C[C@@H]3CCc12
BDBM50087475 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C#N)c56)c4=O)C[C@@H]3CCc12
BDBM50087476 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(C)c(C)nc6sc5c4=O)C[C@@H]3CCc12
BDBM50087477 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(ccc6sc5c4=O)C#N)C[C@@H]3CCc12
BDBM50087478 COc1ccc2CCC3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3c2c1
BDBM50087479 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(C)c56)c4=O)C[C@@H]3CCc12
BDBM50087480 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cccc(Cl)c6sc5c4=O)C[C@@H]3CCc12
BDBM50087481 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(sc6cccc(OC)c56)c4=O)C[C@@H]3CCc12
BDBM50087482 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cccnc6sc5c4=O)C[C@@H]3CCc12
BDBM50087483 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C(F)(F)F)C[C@@H]3CCc12
BDBM50087484 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(Cl)ccc6sc5c4=O)C[C@@H]3CCc12
BDBM50087485 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cnccc6sc5c4=O)C[C@@H]3CCc12
BDBM50087486 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)C[C@@H]3CCc12
BDBM50087487 COc1ccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc2c1
BDBM50087488 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ccc(cc6sc5c4=O)C(N)=O)C[C@@H]3CCc12
BDBM50087489 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nccc(OC)c6sc5c4=O)C[C@@H]3CCc12
BDBM50087490 COc1cnc2sc3c([nH]c(=O)n(CCN4C[C@@H]5CCc6c(OC)cccc6[C@@H]5C4)c3=O)c2n1
BDBM50087491 COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6[nH]c5c4=O)CC3CCc12
BDBM50087492 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nccc(Cl)c6sc5c4=O)C[C@@H]3CCc12
BDBM50087493 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncc(C)nc6sc5c4=O)C[C@@H]3CCc12
BDBM50087494 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nccnc6sc5c4=O)C[C@@H]3CCc12
BDBM50087495 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(C)ccc6sc5c4=O)C[C@@H]3CCc12
BDBM50087496 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cc(Cl)ccc6sc5c4=O)C[C@@H]3CCc12
BDBM50087497 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6nc(Cl)cnc6sc5c4=O)C[C@@H]3CCc12
BDBM50087498 COc1cccc2C3CN(CCCCn4c(=O)[nH]c5c6ccccc6sc5c4=O)CC3CCc12
BDBM50087499 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cccc(C#N)c6sc5c4=O)C[C@@H]3CCc12
BDBM50087500 COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6oc5c4=O)CC3CCc12
BDBM50087501 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cncnc6sc5c4=O)C[C@@H]3CCc12
BDBM50087512 CNC[C@@H](O)c1ccc(O)c(O)c1 |r|
BDBM50090647 C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
BDBM50091713 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091714 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091715 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091716 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091717 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091718 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091719 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091720 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091721 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091722 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091723 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091724 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091725 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091726 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50091727 COCC1=C([C@@H](N(C(=O)N[C@H]2CC[C@@H](C2)N2CCC(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50090307 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
BDBM50090308 COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
BDBM50090309 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1cccc(F)c1
BDBM50090310 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1Cl)c1ccc(C)cc1
BDBM50090311 Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1)c1ccc(C)cc1
BDBM50090312 O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(c1ccccc1)c1ccccc1
BDBM50090313 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccn1)c1ccc(C)cc1
BDBM50090314 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C(N)=O)c1ccccc1)c1ccc(C)cc1
BDBM50090315 COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1)c1ccccc1
BDBM50090316 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(Cl)cc1
BDBM50090317 COC(=O)C1(CCN(CCNC(=O)CCc2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
BDBM50090318 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
BDBM50090319 COC(=O)C1(CCN(CCCNC(=O)CCc2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
BDBM50090320 O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(C1CCCC1)c1ccccc1
BDBM50090321 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccccc1
BDBM50090322 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
BDBM50090323 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(C)cc1
BDBM50090324 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)cc1
BDBM50090325 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)c1ccccc1)c1ccc(C)cc1
BDBM50090326 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2F)=C1C)c1ccc(F)c(F)c1 |c:30|
BDBM50090327 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |t:1|
BDBM50090328 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090329 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccccc2C#N)=C1C)c1ccc(F)c(F)c1 |c:28|
BDBM50090330 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090331 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:27|
BDBM50090332 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |t:1|
BDBM50090333 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|
BDBM50090334 CC(CNC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(F)c(F)c1)CN1CCC(CC1)(C#N)c1ccccn1 |c:6|
BDBM50090335 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |t:1|
BDBM50090336 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C#N |t:1|
BDBM50090337 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2C#N)=C1C)c1ccc(F)c(F)c1 |c:30|
BDBM50090338 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1F |t:1|
BDBM50090339 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |t:1|
BDBM50090340 CN1C(=O)C[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccn2)=C1C)c1ccc(F)c(F)c1 |c:28|
BDBM50090341 CC1=C([C@H](CC(=O)N1)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccccc1C#N |t:1|
BDBM50090300 Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C(F)(F)F)c1ccc(C)cc1
BDBM50090301 COC(=O)C1(CCN(CCCNC(=O)C(C)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
BDBM50090302 O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(C1CCCCC1)c1ccccc1
BDBM50090303 COc1ccccc1C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)C#N
BDBM50090304 COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
BDBM50090010 CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090011 CN1[C@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C(C)N(C)C1=O)c1ccc(F)c(F)c1 |t:24|
BDBM50090012 CN1C=C([C@H](N(C)C1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |c:2|
BDBM50090013 COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(F)c(F)c1 |t:3|
BDBM50090014 CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N)c1ccc(F)c(F)c1 |t:1|
BDBM50090015 CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N)c1ccc(F)c(F)c1 |t:1|
BDBM50090016 CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1C#N |c:2|
BDBM50090017 CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:27|
BDBM50090018 Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N |c:13|
BDBM50090019 CN1[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)C(C)=NC1=O)c1ccc(F)c(F)c1 |c:26|
BDBM50090020 CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1)c1ccc(F)c(F)c1 |t:1|
BDBM50090021 CN1C(C)=C([C@H](N(C(C)=O)C1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |c:3|
BDBM50090022 Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)c1ccccn1 |c:13|
BDBM50090023 Fc1ccc(C2CCN(CCCNC(=O)C3C=NC(=O)N[C@@H]3c3ccc(F)c(F)c3)CC2)c(c1)C#N |c:16|
BDBM50090024 CN1C=C([C@@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |c:2|
BDBM50090025 Fc1ccc(cc1)C1(CCN(CCCNC(=O)C2C=NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1)C#N |c:19|
BDBM50090026 CN1C(=O)N[C@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:27|
BDBM50090027 CN1[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C(C)N(C)C1=O)c1ccc(F)c(F)c1 |t:24|
BDBM50090028 CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2C#N)=C1C)c1ccc(F)c(F)c1 |c:31|
BDBM50090029 CN1C(=O)N[C@@H](C(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)=C1C)c1ccc(F)c(F)c1 |c:29|
BDBM50090030 OC1(CCN(CCCNC(=O)C2C=NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1)c1ccc(F)cc1 |c:12|
BDBM50090031 Fc1ccc(cc1)C1CCN(CCCNC(=O)C2C=NC(=O)N[C@@H]2c2ccc(F)c(F)c2)CC1 |c:19|
BDBM50090032 CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1 |c:2|
BDBM50090033 CC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(F)c(F)c1 |t:1|
BDBM50090034 Fc1ccc(cc1)C1CCN(CCCNC(=O)C2[C@H](NC(=O)N=C2C(F)(F)F)c2ccc(F)c(F)c2)CC1 |c:23|
BDBM50090035 CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N |c:2|
BDBM50090036 Fc1ccc(cc1F)[C@H]1NC(=O)N=CC1C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C#N |c:13|
BDBM50090037 COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N)c1ccc(F)c(F)c1 |t:3|
BDBM50090038 Fc1ccc(C2CCN(CCCNC(=O)C3[C@H](NC(=O)N=C3C(F)(F)F)c3ccc(F)c(F)c3)CC2)c(c1)C#N |c:20|
BDBM50090039 Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccc1C#N)C(F)(F)F |c:13|
BDBM50090040 Fc1ccc(cc1F)[C@H]1NC(=O)N=C(C1C(=O)NCCCN1CCC(CC1)c1ccccn1)C(F)(F)F |c:13|
BDBM50090041 COC(=O)N1[C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccc(F)cc2)=C(C)N(C)C1=O)c1ccc(F)c(F)c1 |t:27|
BDBM50090042 COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N)c1ccc(F)c(F)c1 |t:3|
BDBM50090043 COCC1=NC(=O)N[C@@H](C1C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1)c1ccc(F)c(F)c1 |t:3|
BDBM50090305 CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1
BDBM50090306 Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1C)c1ccc(C)cc1
BDBM50094703 Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095027 COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r|
BDBM50094968 CN1CCN=C1Cc1cccnc1 |c:4|
BDBM50094670 CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
BDBM50093213 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1
BDBM50093214 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n[nH]2)CC1
BDBM50093215 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)on2)CC1
BDBM50093216 CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1 |t:16|
BDBM50093217 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1
BDBM50093218 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nc(N)n2)CC1
BDBM50095890 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
BDBM50100199 COc1cc2CN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)C(=O)Nc2cc1OC
BDBM50100200 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(sc5c4=O)-c4ccccc4)C[C@@H]3CCc12
BDBM50100201 COc1cc2CN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)CNc2cc1OC
BDBM50100202 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)cc(C)cc5c4=O)C[C@@H]3CCc12
BDBM50100203 COc1cc2CCN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)Cc2cc1OC
BDBM50100204 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(Cl)ccc5c4=O)C[C@@H]3CCc12
BDBM50100205 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccncc5c4=O)C[C@@H]3CCc12
BDBM50100206 COc1cc2n(C)c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC
BDBM50100207 COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1Cl
BDBM50100208 COC(=O)c1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
BDBM50100209 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccccc5c4=O)C[C@@H]3CCc12
BDBM50100210 COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
BDBM50100211 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5nccnc5c4=O)C[C@@H]3CCc12
BDBM50100212 COc1sc2c([nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c2=O)c1C
BDBM50100213 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5[nH]ccc5c4=O)C[C@@H]3CCc12
BDBM50100214 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)c(C)ccc5c4=O)C[C@@H]3CCc12
BDBM50100215 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cscc5c4=O)C[C@@H]3CCc12
BDBM50100216 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(csc5c4=O)-c4ccccc4)C[C@@H]3CCc12
BDBM50100217 COc1sc2c([nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c2=O)c1C(C)C
BDBM50100218 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(C)c(C)cc5c4=O)C[C@@H]3CCc12
BDBM50100219 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccc(Cl)c5c4=O)C[C@@H]3CCc12
BDBM50100220 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(NC(C)=O)ccc5c4=O)C[C@@H]3CCc12
BDBM50100221 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)c(OC)ccc5c4=O)C[C@@H]3CCc12
BDBM50100222 COc1cccc2[C@@H]3CN(CCn4cnc5cc(OC)c(OC)cc5c4=O)C[C@@H]3CCc12
BDBM50100223 COc1cc(N)c(cc1OC)C(=O)NCCN1C[C@@H]2CCc3c(OC)cccc3[C@@H]2C1
BDBM50100224 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cnccc5c4=O)C[C@@H]3CCc12
BDBM50100225 COc1ccc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2c1
BDBM50100226 COc1cccc2[C@@H]3CN(CCN4CNc5cc(OC)c(OC)cc5C4=O)C[C@@H]3CCc12
BDBM50100227 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ccsc5c4=O)C[C@@H]3CCc12
BDBM50100228 COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
BDBM50100229 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(ccc5c4=O)C#N)C[C@@H]3CCc12
BDBM50100230 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccnc5c4=O)C[C@@H]3CCc12
BDBM50100231 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5sccc5c4=O)C[C@@H]3CCc12
BDBM50100232 COc1cc2CCN(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)C(=O)c2cc1OC
BDBM50100233 COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC
BDBM50100234 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5ncccc5c4=O)C[C@@H]3CCc12
BDBM50100235 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)cccc5c4=O)C[C@@H]3CCc12
BDBM50100236 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cccc(C)c5c4=O)C[C@@H]3CCc12
BDBM50100237 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)csc5c4=O)C[C@@H]3CCc12
BDBM50100238 COc1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
BDBM50100239 COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(ccc5c4=O)[N+]([O-])=O)C[C@@H]3CCc12
BDBM50100565 COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1
BDBM50099320 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1
BDBM50099321 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(C)c(-c4ccccc4)c3c2=O)CC1
BDBM50099322 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
BDBM50099323 COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
BDBM50099324 COc1ccccc1N1CCN(CCn2c(=O)n(C)c3scc(-c4ccccc4)c3c2=O)CC1
BDBM50099325 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1
BDBM50099327 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sc(cc3c2=O)-c2ccccc2)CC1
BDBM50102240 Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
BDBM50102241 Cc1ccc(cc1)C1(CC(=O)N(CC(O)CN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
BDBM50102242 Cc1ccc(cc1)C1(OC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
BDBM50102243 Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
BDBM50102244 Cc1ccc(cc1)C1(CC(=S)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
BDBM50102245 Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
BDBM50102246 Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
BDBM50103131 Cc1ccc(CC2(O)CCN(C[C@@H](O)Cc3ccc(O)cc3)CC2)cc1
BDBM50103133 Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1
BDBM50101649 COc1ccccc1N1CCN(CC1)c1c(C(C)=O)c(nn(C)c1=O)-c1ccccc1
BDBM50101650 COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101651 COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101652 CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2F)c(=O)n(C)nc1-c1ccccc1
BDBM50101653 COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1
BDBM50101654 CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
BDBM50101655 COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101656 COc1ccc(Cl)cc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101657 CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
BDBM50101658 COc1ccc(Cl)cc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101659 COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101660 COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101661 COc1ccccc1N1CCN(CCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101662 COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101663 COc1ccccc1N1CCN(CCCNc2cc(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101664 COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50101665 COc1ccc(Cl)cc1N1CCN(CCCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
BDBM50101666 COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
BDBM50107234 COc1cccc2c(CCCN3CCN(CC3)c3ccccn3)cccc12
BDBM50107235 COc1cccc2c(CCCNCCOc3ccccn3)cccc12
BDBM50107240 COc1cccc2C(CCCNCCOc3ccccn3)CCCc12
BDBM50106731 OC(=O)CCCC[C@@H]1CCSS1 |r|
BDBM50115644 CN1CCN2C(C1)c1ccccc1Cc1cccnc21
BDBM50116200 CC(C)Oc1ccccc1N1CCN(Cc2cc(CO)cs2)CC1
BDBM50116201 COc1ccccc1N1CCN(Cc2ccc(CO)s2)CC1
BDBM50116202 COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3O)s2)CC1
BDBM50116203 COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)s2)CC1
BDBM50116204 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)cs2)CC1
BDBM50116205 COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
BDBM50116206 COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(CC2)c2ccccc2OC)s1
BDBM50116207 COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)s2)CC1
BDBM50116208 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)cs2)CC1
BDBM50116209 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCCC3=O)cs2)CC1
BDBM50116210 COc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)s2)CC1
BDBM50116212 COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1
BDBM50118702 COc1ccc(OC)c(c1)C(O)CN
BDBM50118703 CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18|
BDBM50118705 CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
BDBM50116928 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1
BDBM50116930 OCc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
BDBM50116931 O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
BDBM50116932 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)co2)CC1
BDBM50116933 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCCC3=O)co2)CC1
BDBM50116934 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)co2)CC1
BDBM50116935 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1
BDBM50116936 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1
BDBM50116937 O=C1CCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
BDBM50116938 O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
BDBM50116939 CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1
BDBM50116940 CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1
BDBM50122041 COc1c(ccc2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50122042 Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl
BDBM50119377 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
BDBM50119380 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50122803 C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
BDBM50122872 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
BDBM50130338 COc1cc2[C@@H]3Cc4ccc(O)c(OC)c4CN3CCc2cc1O
BDBM50129952 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
BDBM50130287 [#6]-c1c(cccc1-c1ccccc1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
BDBM50130290 CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
BDBM50130293 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50130273 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
BDBM50133229 CC(N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50133232 C[C@H](N)Cc1c[nH]c2ccc3OCCCc3c12
BDBM50132097 COc1ccc2c3CCNCc3[nH]c2c1
BDBM50131888 Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C(N)=O)-c1ccccc1
BDBM50131889 Cc1c(COc2ccccc2N2CCN(CCCNC(=O)c3cccc4c3oc(-c3ccccc3)c(C)c4=O)CC2)no[n+]1[O-]
BDBM50131890 Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCc1no[n+]([O-])c1C#N)-c1ccccc1
BDBM50131891 Cc1c(oc2c(cccc2c1=O)C(=O)NCCCN1CCN(CC1)c1ccccc1OCCCO[N+]([O-])=O)-c1ccccc1
BDBM50131920 COc1ccccc1N1CCN(CCCCN2CCn3c(cc4ccccc34)C2=O)CC1
BDBM50131921 Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c(Cl)c1
BDBM50131922 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
BDBM50131923 Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4o3)CC2)c(Cl)c1
BDBM50131925 Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
BDBM50131926 COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
BDBM50131930 Clc1ccc(N2CCN(CCCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(Cl)c1
BDBM50131411 Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
BDBM50131414 O=c1[nH]nc(Cc2ccc3OCOc3c2)c2ccccc12
BDBM50131423 Cn1nc(Cc2ccccc2)c2ccccc2c1=O
BDBM50131440 CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
BDBM50133817 CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
BDBM50133938 CC(=O)NCC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1
BDBM50140762 COCC1=C([C@@H](C(C(=O)NCCCN2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50143703 Clc1ccc(Cl)c(c1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143704 CN(CCN(C)c1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143705 COc1ccccc1OCCN(C)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143708 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CCC2=O)CC1
BDBM50143711 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCCC3)CC2=O)CC1
BDBM50143714 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CCCC2=O)CC1
BDBM50143715 Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143716 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCC3)CC2=O)CC1
BDBM50143717 Cc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143720 CC(CN1CCN(CC1)c1cc(Cl)ccc1Cl)N1C(=O)CC2(CCCC2)CC1=O
BDBM50143722 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)C2=O)CC1
BDBM50143723 Cc1ccc(C)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143726 Clc1ccc(I)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143652 Clc1ccccc1C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143653 COc1cccc(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143654 Clc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143655 O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(CC1)c1ccccc1
BDBM50143657 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(Cc4ccccc4)CC3)CC2=O)CC1
BDBM50143658 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C#N
BDBM50143659 Brc1ccc(Br)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143660 CC(C)Oc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143661 Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143662 COc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:16|
BDBM50143663 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCN(CC3)C(C)=O)CC2=O)CC1
BDBM50143664 Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143666 Fc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143668 Fc1ccc(cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1)C(F)(F)F
BDBM50143669 [O-][N+](=O)c1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143671 Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1
BDBM50143673 Clc1ccc(Cl)c(c1)N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
BDBM50143674 Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143676 Clc1ccccc1N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:15|
BDBM50143680 Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
BDBM50143681 O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1ccccc1C1CC1
BDBM50143682 Clc1ccc(Cl)c(c1)N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143683 CCC1(C)CC(=O)N(CCN2CCN(CC2)c2cc(Cl)ccc2Cl)C(=O)C1
BDBM50143684 Clc1ccc(Cl)c(c1)N1CCN(CCN2C=CC3(CCCC3)CC2=O)CC1 |c:16|
BDBM50143686 CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
BDBM50143687 Clc1ccc(C#N)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143689 Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143691 Clc1ccc(Cl)c(c1)C1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143693 Brc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143694 Clc1ccccc1N1CCN(CCN2C(=O)CC3(CCCCC3)CC2=O)CC1
BDBM50143695 Cc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143697 Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143699 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCNCC3)CC2=O)CC1
BDBM50143701 Clc1ccccc1N1CCCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50143702 COc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
BDBM50146518 COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC |c:30|
BDBM50146360 CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
BDBM50152456 COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2cccc(NC(C)=O)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50151704 CC(C)(C)c1ccc(cc1)C1=NCCN1 |t:11|
BDBM50160146 CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
BDBM50160147 COc1ccc(CCNCC2CCc3ccccc3C2)cc1
BDBM50160148 COCC1=C([C@@H](N(C(=O)NCCCN2CCC(CC2)c2ccccn2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50160149 COC(=O)C1[C@@H](C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
BDBM50160150 CCC1=NC(COCCN)=C([C@H](C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
BDBM50160151 COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1
BDBM50160152 Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O
BDBM50160153 Cn1c(NCCCN2CCN(CC2)c2ccc3OC(CO)COc3c2)cc(=O)n(C)c1=O
BDBM50160154 C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
BDBM50160155 COc1cccc(OC)c1OCCNC[C@H]1CSc2ccccc2O1
BDBM50160156 OC(COc1ccccc1-c1ccccc1)CC(=N)N1CCCCC1
BDBM50160157 COc1c(C)c(C)c(O)c(C)c1CN(C)CCOc1cc(C)c(O)cc1C(C)C
BDBM50160158 CCOC(=O)C1CCC(=O)N1CC(=O)CCN1CCN(CC1)c1ccccc1OC(C)C
BDBM50160159 COc1ccc(Cl)cc1N1CCN(CCCNc2nccc(n2)C(N)=O)CC1
BDBM50160160 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
BDBM50160161 Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c1=O
BDBM50160162 NC(=Nc1ccccc1)N1CCN(CC1)C=C1N=C(OC1=O)c1cccc2ccccc12 |w:15.16,2.2,c:19|
BDBM50160163 CCS(=O)(=O)Nc1cccc(c1)C(c1cnc[nH]1)=C1CCCCC1 |(-7.48,.25,;-6.41,-.85,;-4.9,-.45,;-4.3,-1.88,;-5.47,.97,;-3.57,.32,;-2.22,-.44,;-2.22,-2,;-.89,-2.77,;.44,-2,;.44,-.44,;-.89,.32,;1.78,.34,;1.78,1.89,;.52,2.77,;1.01,4.25,;2.53,4.25,;3.02,2.8,;3.12,-.43,;3.12,-1.97,;4.45,-2.74,;5.78,-1.97,;5.78,-.43,;4.44,.34,)|
BDBM50160164 C[C@]1(O)[C@@H](O)NC(=O)N(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)C1=O
BDBM50160165 CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1
BDBM50158584 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C1=CC(=O)c2ccccc2C1=O |t:24|
BDBM50158610 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1
BDBM50159165 COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
BDBM50161869 COc1ccccc1N1CCN(CCCNc2cc(=O)[nH]c(Nc3c(Cl)cccc3Cl)n2)CC1
BDBM50161870 Nc1ccc(cc1)C(=O)NCCN1CCC(CC1)c1cccc2[nH]ccc12
BDBM50161871 Fc1ccc2c(csc2c1)N1CCN(CCCCNC(=O)c2cnccn2)CC1
BDBM50161872 Clc1ccc(c(Cl)c1)C1(Cn2ccnc2)OCC(CN2CCN(CCc3ccccc3)CC2)O1
BDBM50160807 CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
BDBM50165417 Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50165418 Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1
BDBM50165419 Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
BDBM50164447 NC(CCS(O)(=O)=O)C(O)=O
BDBM50166903 C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50170191 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:10.13,7.6,(-.96,2.96,;-2.29,2.19,;-3.63,2.96,;-2.28,.65,;-.95,-.12,;-.93,-1.66,;.4,-2.41,;1.73,-1.66,;3.06,-2.43,;4.39,-1.66,;4.39,-.12,;3.06,.65,;1.73,-.12,;5.74,.65,;7.07,-.12,;7.07,-1.66,;8.4,.65,;9.74,-.12,;11.07,.65,;11.07,2.19,;12.4,2.96,;9.71,2.96,;9.71,4.5,;8.4,2.19,;-2.26,-2.43,;-3.61,-1.66,;-4.94,-2.45,;-6.27,-1.68,;-6.27,-.14,;-4.94,.65,;-3.61,-.12,)|
BDBM50172756 CN(CC#C)Cc1ccccc1
BDBM50173162 [#6]-[#8]-c1cccc(c1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1ccc(-[#6])cc1
BDBM50173163 Cc1ccc(cc1)N(N=C1NCCO1)c1cccc(O)c1 |w:8.8|
BDBM50173164 [#6]-c1ccc(cc1)-[#7](\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1)-c1cccc(-[#8])c1
BDBM50173165 COc1cccc(c1)N(N=C1NCCO1)c1ccc(C)cc1 |w:9.9|
BDBM50176070 COc1cccc2cc(oc12)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
BDBM50180251 C[C@H](N)Cn1ncc2ccc(O)cc12
BDBM50182020 COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM50183665 Clc1ccc(Cc2nn(CC=C)c(=O)c3ccccc23)cc1
BDBM50185473 OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
BDBM50185474 OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
BDBM50187747 C(CCN1CCCCC1)CCN1CCC(CC1)c1c[nH]c2ccccc12
BDBM50187748 Fc1ccc2[nH]cc(C3CCN(CCCN4CCCCC4)CC3)c2c1
BDBM50187749 C(CN1CCCCC1)CN1CCC(CC1)c1c[nH]c2ccccc12
BDBM50187750 Cn1cc(C2CCN(CCCN3CCCCC3)CC2)c2ccccc12
BDBM50187751 Cc1[nH]c2ccccc2c1C1CCN(CCCN2CCCCC2)CC1
BDBM50187752 C(CCN1CCC(CC1)c1c[nH]c2ccccc12)CN1CCCCC1
BDBM50187753 Fc1ccc2c(c[nH]c2c1)C1CCN(CCCN2CCCCC2)CC1
BDBM50187754 C(CN1CCCCC1)CN1CCC(CC1)c1noc2ccccc12
BDBM50187756 O=c1[nH]c2ccccc2n1C1CCN(CCCN2CCCCC2)CC1
BDBM50187757 C(CN1CCCCC1)CN1CCC(CC1)c1coc2ccccc12
BDBM50187911 FC(F)(F)c1cccc(c1)\N=C1\C(=O)N(c2ccccc12)c1cccc(OCCN2CCCC2)c1
BDBM50203122 COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC
BDBM50203480 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccc(F)cc3c2C1=O |(-7.03,-31.98,;-7.8,-30.64,;-9.34,-30.64,;-7.03,-29.31,;-7.8,-27.98,;-9.33,-27.97,;-10.1,-26.65,;-9.34,-25.32,;-7.8,-25.32,;-7.03,-26.65,;-5.49,-26.65,;-4.72,-27.99,;-3.19,-27.99,;-2.41,-26.66,;-3.18,-25.32,;-4.73,-25.32,;-.87,-26.67,;-.11,-28,;1.43,-28.01,;2.21,-26.68,;1.44,-25.34,;-.1,-25.34,;3.75,-26.68,;4.65,-25.44,;4.18,-23.97,;6.11,-25.92,;7.45,-25.16,;8.77,-25.93,;8.77,-27.48,;10.09,-28.25,;10.08,-29.79,;8.74,-30.55,;8.73,-32.09,;7.41,-29.77,;7.43,-28.24,;6.1,-27.46,;4.64,-27.93,;4.16,-29.39,)|
BDBM50203481 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O |(15.23,-21.71,;14.46,-20.38,;12.92,-20.38,;15.23,-19.04,;14.46,-17.71,;12.92,-17.71,;12.15,-16.39,;12.91,-15.06,;14.46,-15.05,;15.23,-16.38,;16.76,-16.38,;17.53,-17.72,;19.07,-17.73,;19.84,-16.39,;19.08,-15.06,;17.53,-15.05,;21.38,-16.4,;22.15,-17.74,;23.69,-17.74,;24.46,-16.41,;23.7,-15.08,;22.16,-15.07,;26,-16.42,;26.91,-15.17,;26.44,-13.71,;28.37,-15.65,;29.7,-14.9,;31.03,-15.67,;31.02,-17.22,;32.35,-17.99,;32.34,-19.52,;31,-20.29,;29.67,-19.51,;29.68,-17.97,;28.36,-17.2,;26.9,-17.67,;26.42,-19.13,)|
BDBM50203482 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O |(16.25,-12.88,;15.48,-11.55,;13.94,-11.55,;16.25,-10.21,;15.48,-8.88,;13.95,-8.88,;13.18,-7.55,;13.94,-6.23,;15.48,-6.22,;16.25,-7.55,;17.79,-7.55,;18.56,-8.89,;20.09,-8.89,;20.87,-7.56,;20.1,-6.23,;18.55,-6.22,;22.41,-7.57,;23.17,-8.91,;24.71,-8.91,;25.49,-7.58,;24.72,-6.25,;23.18,-6.24,;27.03,-7.59,;27.92,-8.83,;27.44,-10.3,;29.38,-8.37,;30.71,-9.14,;32.05,-8.38,;32.05,-6.84,;30.72,-6.07,;30.73,-4.53,;29.39,-6.82,;27.93,-6.34,;27.46,-4.88,)|
BDBM50203483 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2c(C1=O)c(F)c(F)c(F)c2F |(15.49,-2.51,;14.72,-1.17,;13.18,-1.17,;15.49,.16,;14.72,1.5,;13.18,1.5,;12.42,2.82,;13.18,4.15,;14.72,4.15,;15.49,2.82,;17.03,2.82,;17.79,1.49,;19.33,1.48,;20.1,2.81,;19.34,4.15,;17.79,4.16,;21.64,2.81,;22.41,1.47,;23.95,1.46,;24.72,2.79,;23.96,4.13,;22.42,4.14,;26.26,2.79,;27.17,4.03,;26.69,5.5,;28.63,3.55,;28.62,2.01,;27.16,1.54,;26.68,.08,;29.94,1.23,;29.93,-.31,;31.28,1.99,;32.61,1.21,;31.29,3.54,;32.63,4.3,;29.96,4.31,;29.97,5.85,)|
BDBM50203484 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccnc2C1=O |(-5.9,-44.57,;-6.67,-43.23,;-8.21,-43.23,;-5.9,-41.9,;-6.67,-40.57,;-8.21,-40.56,;-8.97,-39.24,;-8.21,-37.91,;-6.67,-37.91,;-5.9,-39.24,;-4.36,-39.24,;-3.6,-40.58,;-2.06,-40.58,;-1.29,-39.25,;-2.05,-37.91,;-3.6,-37.91,;.25,-39.26,;1.02,-40.59,;2.56,-40.6,;3.33,-39.27,;2.57,-37.93,;1.03,-37.93,;4.87,-39.28,;5.78,-38.03,;5.31,-36.56,;7.24,-38.51,;8.57,-37.75,;9.9,-38.52,;9.89,-40.07,;8.55,-40.83,;7.23,-40.05,;5.77,-40.52,;5.29,-41.98,)|
BDBM50203485 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O |(-6.31,-12.94,;-7.08,-11.61,;-8.62,-11.61,;-6.3,-10.28,;-7.07,-8.94,;-8.61,-8.94,;-9.38,-7.62,;-8.62,-6.29,;-7.07,-6.28,;-6.31,-7.61,;-4.77,-7.62,;-4,-8.95,;-2.47,-8.96,;-1.69,-7.63,;-2.46,-6.29,;-4,-6.28,;-.15,-7.63,;.62,-8.97,;2.16,-8.98,;2.93,-7.64,;2.17,-6.31,;.63,-6.3,;4.47,-7.65,;5.37,-6.4,;4.9,-4.94,;6.84,-6.89,;8.17,-6.13,;9.5,-6.9,;10.83,-6.13,;9.49,-8.45,;10.82,-9.22,;8.15,-9.21,;6.82,-8.43,;5.36,-8.9,;4.88,-10.36,)|
BDBM50203486 CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccncc2C1=O |(16.6,-44.54,;15.83,-43.21,;14.29,-43.21,;16.6,-41.88,;15.83,-40.54,;14.3,-40.54,;13.53,-39.22,;14.29,-37.89,;15.83,-37.88,;16.6,-39.21,;18.14,-39.22,;18.91,-40.55,;20.44,-40.56,;21.22,-39.23,;20.45,-37.89,;18.9,-37.88,;22.76,-39.23,;23.52,-40.57,;25.06,-40.58,;25.84,-39.25,;25.07,-37.91,;23.53,-37.9,;27.38,-39.25,;28.28,-38.01,;27.81,-36.54,;29.74,-38.49,;31.07,-37.73,;32.4,-38.5,;32.4,-40.05,;31.06,-40.81,;29.73,-40.03,;28.27,-40.5,;27.79,-41.96,)|
BDBM50211307 COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)[N+]([O-])=O |wU:15.19,12.12,(6.24,-24.33,;7.01,-22.99,;6.24,-21.67,;7.01,-20.33,;6.24,-18.99,;4.7,-18.99,;3.93,-20.33,;4.7,-21.67,;3.93,-22.99,;2.59,-22.22,;5.26,-23.76,;3.16,-24.33,;1.62,-24.33,;.85,-25.66,;-.69,-25.66,;-1.46,-24.33,;-.69,-22.99,;.85,-22.99,;-3,-24.33,;-3.78,-25.66,;-5.32,-25.66,;-6.09,-24.33,;-5.32,-22.99,;-3.78,-22.99,;-7.63,-24.33,;-8.4,-25.66,;-9.94,-25.66,;-10.71,-24.33,;-9.94,-22.99,;-8.4,-22.99,;-7.63,-21.67,;-8.4,-20.33,;-7.63,-18.99,;-9.94,-20.33,;3.93,-17.66,;4.7,-16.33,;2.39,-17.66,)|
BDBM50211308 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |wU:16.17,wD:19.24,(14.19,-37.24,;13.4,-38.56,;11.86,-38.54,;14.15,-39.9,;13.37,-41.23,;11.83,-41.21,;11.04,-42.53,;11.81,-43.88,;13.34,-43.89,;14.12,-42.57,;15.65,-42.59,;16.42,-43.93,;17.96,-43.95,;18.73,-42.62,;17.99,-41.29,;16.45,-41.27,;20.27,-42.65,;21.05,-41.32,;22.6,-41.34,;23.34,-42.69,;22.56,-44.01,;21.02,-43.99,;24.9,-42.72,;25.68,-41.39,;24.35,-40.62,;27.01,-42.16,;26.43,-40.06,;27.98,-40.05,;28.74,-38.71,;27.96,-37.38,;28.72,-36.04,;30.26,-36.02,;31.79,-36.02,;30.25,-34.48,;30.28,-37.56,;26.41,-37.4,;25.66,-38.74,)|
BDBM50211309 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cc(Cl)ccc1F |wU:16.17,19.24,(-10.48,-40.6,;-8.94,-40.62,;-8.15,-39.3,;-8.19,-41.96,;-8.97,-43.29,;-10.51,-43.27,;-11.31,-44.6,;-10.53,-45.95,;-9,-45.96,;-8.22,-44.64,;-6.69,-44.65,;-5.92,-45.99,;-4.38,-46.01,;-3.61,-44.69,;-4.35,-43.35,;-5.89,-43.33,;-2.07,-44.71,;-1.32,-46.06,;.22,-46.08,;1,-44.76,;.26,-43.41,;-1.29,-43.38,;2.56,-44.79,;3.34,-43.46,;2.01,-42.68,;4.67,-44.22,;4.09,-42.12,;3.32,-40.8,;4.07,-39.46,;3.29,-38.13,;5.62,-39.44,;6.41,-40.77,;5.64,-42.11,;6.43,-43.44,)|
BDBM50211310 COc1ccc(OC)c(c1)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,wD:14.14,(28.05,-2.73,;27.27,-4.09,;28.06,-5.46,;29.59,-5.46,;30.35,-6.78,;29.59,-8.1,;30.36,-9.45,;31.89,-9.45,;28.06,-8.1,;27.31,-6.76,;27.29,-9.44,;25.96,-8.68,;28.64,-10.22,;26.53,-10.77,;24.96,-10.77,;24.2,-9.45,;22.67,-9.43,;21.9,-10.77,;22.66,-12.09,;24.2,-12.09,;20.35,-10.77,;19.58,-12.1,;18.03,-12.1,;17.26,-10.77,;18.04,-9.44,;19.58,-9.44,;15.72,-10.77,;14.94,-12.1,;13.4,-12.1,;12.64,-10.76,;13.4,-9.42,;14.94,-9.42,;15.71,-8.09,;14.95,-6.76,;15.72,-5.41,;13.4,-6.76,)|
BDBM50211311 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(c1)C(F)(F)F |wU:16.17,wD:19.24,(18.87,-4.58,;18.1,-5.92,;16.56,-5.92,;18.87,-7.25,;18.1,-8.58,;16.56,-8.59,;15.79,-9.92,;16.57,-11.26,;18.11,-11.25,;18.87,-9.92,;20.4,-9.92,;21.18,-11.24,;22.72,-11.24,;23.48,-9.91,;22.72,-8.58,;21.18,-8.59,;25.02,-9.91,;25.78,-8.58,;27.33,-8.58,;28.1,-9.92,;27.32,-11.25,;25.79,-11.25,;29.65,-9.93,;30.41,-8.59,;29.07,-7.83,;31.75,-9.34,;31.15,-7.24,;30.36,-5.93,;31.09,-4.58,;32.64,-4.54,;33.44,-5.86,;32.7,-7.21,;34.98,-5.83,;36.51,-5.8,;34.95,-4.29,;35.01,-7.36,)|
BDBM50211312 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |wU:16.17,19.24,(-7.62,-38.84,;-8.38,-40.15,;-9.91,-40.15,;-7.62,-41.49,;-8.37,-42.79,;-9.92,-42.79,;-10.69,-44.13,;-9.92,-45.47,;-8.38,-45.47,;-7.63,-44.08,;-6.09,-44.08,;-5.33,-45.39,;-3.81,-45.39,;-3.05,-44.07,;-3.82,-42.73,;-5.36,-42.73,;-1.53,-44.07,;-.79,-45.37,;.76,-45.37,;1.54,-44.02,;.76,-42.67,;-.76,-42.72,;3.04,-44.02,;3.81,-42.68,;2.48,-41.92,;5.12,-43.44,;4.58,-41.36,;6.1,-41.36,;6.87,-40.02,;6.1,-38.69,;6.86,-37.37,;8.39,-37.37,;9.91,-37.37,;8.39,-35.86,;8.39,-38.9,;4.54,-38.69,;3.77,-40.03,)|
BDBM50211313 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(C)c(Cl)c1 |wU:16.17,19.24,(-7.03,-29.03,;-7.8,-30.37,;-9.34,-30.37,;-7.03,-31.7,;-7.8,-33.04,;-9.33,-33.04,;-10.11,-34.37,;-9.33,-35.71,;-7.81,-35.71,;-7.03,-34.38,;-5.48,-34.38,;-4.71,-35.71,;-3.17,-35.71,;-2.4,-34.37,;-3.16,-33.05,;-4.7,-33.05,;-.85,-34.37,;-.08,-35.7,;1.45,-35.7,;2.22,-34.37,;1.46,-33.05,;-.08,-33.04,;3.78,-34.37,;4.54,-33.05,;3.21,-32.29,;5.89,-33.82,;5.31,-31.71,;4.55,-30.37,;5.31,-29.04,;6.84,-29.04,;7.62,-27.69,;7.61,-30.37,;9.16,-30.37,;6.84,-31.71,)|
BDBM50211314 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(cc1)S(C)(=O)=O |wU:16.17,wD:19.24,(16.69,-26.8,;15.92,-28.13,;14.38,-28.13,;16.69,-29.47,;15.93,-30.8,;14.37,-30.8,;13.6,-32.14,;14.38,-33.49,;15.93,-33.49,;16.69,-32.12,;18.25,-32.12,;19.01,-33.46,;20.55,-33.46,;21.32,-32.14,;20.55,-30.79,;19,-30.79,;22.85,-32.14,;23.62,-30.81,;25.15,-30.8,;25.93,-32.14,;25.16,-33.47,;23.62,-33.47,;27.47,-32.14,;28.24,-30.81,;26.91,-30.04,;29.57,-31.58,;29.01,-29.47,;30.57,-29.47,;31.33,-28.15,;30.57,-26.83,;29.01,-26.83,;28.25,-28.16,;31.35,-25.49,;32.12,-24.16,;32.69,-26.26,;30.02,-24.72,)|
BDBM50211315 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1 |wU:16.17,19.24,(-6.93,-41.36,;-7.71,-42.69,;-9.25,-42.67,;-6.96,-44.03,;-7.75,-45.36,;-9.29,-45.34,;-10.07,-46.66,;-9.31,-48.01,;-7.77,-48.02,;-6.99,-46.7,;-5.46,-46.72,;-4.7,-48.06,;-3.16,-48.07,;-2.38,-46.75,;-3.13,-45.42,;-4.67,-45.4,;-.85,-46.77,;-.09,-48.12,;1.44,-48.14,;2.23,-46.82,;1.48,-45.47,;-.07,-45.45,;3.79,-46.85,;4.56,-45.52,;3.23,-44.75,;5.89,-46.29,;5.32,-44.18,;4.55,-42.86,;5.3,-41.53,;6.85,-41.51,;7.63,-42.84,;6.87,-44.17,)|
BDBM50211316 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1F |wU:16.17,19.24,(16.96,-18.35,;16.18,-19.68,;14.64,-19.66,;16.93,-21.02,;16.14,-22.34,;14.61,-22.32,;13.82,-23.65,;14.58,-25,;16.12,-25.01,;16.9,-23.69,;18.43,-23.7,;19.19,-25.04,;20.73,-25.06,;21.51,-23.74,;20.76,-22.4,;19.22,-22.38,;23.04,-23.76,;23.8,-25.11,;25.33,-25.13,;26.12,-23.81,;25.37,-22.46,;23.83,-22.44,;27.68,-23.84,;28.45,-22.51,;27.12,-21.74,;29.78,-23.28,;29.21,-21.17,;28.44,-19.85,;29.19,-18.51,;30.74,-18.49,;31.52,-19.82,;30.76,-21.16,;31.54,-22.49,)|
BDBM50211317 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1 |wU:16.17,19.24,(15.71,5.56,;14.93,4.23,;13.39,4.25,;15.68,2.89,;14.89,1.57,;13.35,1.58,;12.57,.26,;13.33,-1.09,;14.87,-1.1,;15.65,.22,;17.18,.2,;17.94,-1.14,;19.48,-1.15,;20.26,.17,;19.51,1.5,;17.97,1.52,;21.79,.15,;22.55,-1.2,;24.08,-1.22,;24.87,.1,;24.12,1.45,;22.58,1.47,;26.43,.07,;27.2,1.4,;25.87,2.17,;28.53,.63,;27.96,2.74,;29.51,2.75,;30.27,4.08,;29.49,5.41,;27.94,5.4,;27.19,4.06,)|
BDBM50211318 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(Cl)c1F |wU:16.17,wD:19.24,(16.9,6.91,;16.13,5.58,;14.59,5.58,;16.91,4.24,;16.14,2.92,;14.6,2.9,;13.84,1.56,;14.63,.22,;16.16,.24,;16.92,1.58,;18.46,1.58,;19.24,.27,;20.78,.28,;21.54,1.63,;20.77,2.94,;19.23,2.93,;23.08,1.63,;23.84,2.97,;25.38,2.97,;26.16,1.64,;25.39,.31,;23.86,.3,;27.7,1.64,;28.47,2.98,;27.13,3.75,;29.8,2.21,;29.24,4.31,;28.44,5.68,;29.23,7,;30.78,6.98,;31.53,5.64,;33.07,5.64,;30.75,4.31,;31.52,2.98,)|
BDBM50211319 COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(32.51,-20.49,;30.97,-20.49,;30.2,-19.15,;30.97,-17.83,;30.2,-16.49,;28.66,-16.49,;27.89,-15.15,;27.89,-17.83,;28.66,-19.15,;27.89,-20.49,;26.56,-19.72,;29.22,-21.26,;27.12,-21.83,;25.58,-21.83,;24.81,-20.49,;23.27,-20.49,;22.5,-21.83,;23.27,-23.15,;24.81,-23.15,;20.96,-21.83,;20.19,-23.15,;18.65,-23.15,;17.88,-21.83,;18.65,-20.49,;20.19,-20.49,;16.34,-21.83,;15.57,-23.15,;14.03,-23.15,;13.26,-21.83,;14.03,-20.49,;15.57,-20.49,;16.34,-19.15,;15.57,-17.83,;16.34,-16.49,;14.03,-17.83,)|
BDBM50211320 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1C#N |wU:16.17,wD:19.24,(-5.68,-16.28,;-6.46,-17.61,;-8,-17.59,;-5.71,-18.95,;-6.5,-20.27,;-8.03,-20.26,;-8.82,-21.58,;-8.06,-22.93,;-6.52,-22.94,;-5.74,-21.62,;-4.21,-21.64,;-3.45,-22.98,;-1.91,-22.99,;-1.13,-21.67,;-1.88,-20.34,;-3.42,-20.32,;.41,-21.69,;1.19,-20.37,;2.73,-20.39,;3.48,-21.74,;2.69,-23.06,;1.16,-23.04,;5.04,-21.77,;5.81,-20.44,;4.48,-19.67,;7.14,-21.21,;6.57,-19.1,;5.8,-17.78,;6.55,-16.44,;8.1,-16.43,;8.88,-17.76,;8.12,-19.09,;8.9,-20.42,;9.68,-21.75,)|
BDBM50211321 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccnc1 |wU:16.17,wD:19.24,(17.84,-39.62,;17.05,-40.94,;15.51,-40.92,;17.8,-42.28,;17.02,-43.61,;15.48,-43.59,;14.69,-44.92,;15.45,-46.26,;16.99,-46.27,;17.77,-44.95,;19.3,-44.97,;20.06,-46.31,;21.6,-46.33,;22.38,-45.01,;21.63,-43.67,;20.09,-43.65,;23.92,-45.03,;24.7,-43.7,;26.24,-43.73,;27,-45.07,;26.2,-46.39,;24.67,-46.37,;28.55,-45.11,;29.33,-43.78,;27.99,-43,;30.65,-44.54,;30.08,-42.44,;29.31,-41.12,;30.06,-39.78,;31.61,-39.76,;32.39,-41.09,;31.63,-42.43,)|
BDBM50211322 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,14.14,(9.45,6.98,;7.93,6.98,;7.17,5.66,;5.62,5.66,;4.85,4.32,;5.62,3,;7.17,3,;7.93,4.32,;9.48,4.32,;10.24,3,;4.85,1.66,;3.52,2.44,;6.19,.9,;4.08,.34,;2.54,.34,;1.78,-.99,;.24,-.99,;-.52,.34,;.24,1.67,;1.77,1.67,;-2.05,.34,;-2.82,-.99,;-4.36,-.99,;-5.12,.35,;-4.36,1.67,;-2.82,1.67,;-6.67,.35,;-7.43,-1.02,;-8.98,-1.02,;-9.75,.33,;-8.98,1.67,;-7.43,1.67,;-6.67,3,;-7.44,4.33,;-6.67,5.67,;-8.98,4.33,)|
BDBM50211323 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(C)c(Cl)c1 |wU:16.17,wD:19.24,(14.8,-27.45,;14.03,-28.79,;12.49,-28.79,;14.8,-30.12,;14.03,-31.47,;12.49,-31.47,;11.72,-32.8,;12.5,-34.13,;14.02,-34.13,;14.8,-32.8,;16.35,-32.8,;17.11,-34.13,;18.66,-34.13,;19.43,-32.8,;18.67,-31.47,;17.13,-31.47,;20.98,-32.8,;21.75,-31.46,;23.29,-31.47,;24.05,-32.8,;23.28,-34.13,;21.75,-34.13,;25.61,-32.8,;26.37,-31.47,;25.04,-30.71,;27.72,-32.25,;27.14,-30.14,;26.38,-28.79,;27.14,-27.47,;28.67,-27.47,;29.45,-26.11,;29.44,-28.79,;30.99,-28.79,;28.67,-30.14,)|
BDBM50211324 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,wD:14.14,(31.27,8.11,;29.75,8.11,;28.99,6.78,;27.44,6.78,;26.67,5.44,;27.44,4.11,;28.99,4.11,;29.75,5.44,;31.3,5.44,;32.06,4.12,;26.67,2.78,;25.34,3.55,;28,2.02,;25.9,1.46,;24.36,1.46,;23.59,2.79,;22.06,2.78,;21.29,1.46,;22.06,.13,;23.6,.13,;19.77,1.46,;19,.13,;17.46,.13,;16.69,1.46,;17.45,2.79,;19,2.79,;15.15,1.46,;14.39,.1,;12.84,.1,;12.07,1.45,;12.83,2.79,;14.38,2.79,;15.15,4.11,;14.38,5.45,;15.14,6.78,;12.84,5.45,)|
BDBM50211325 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1 |wU:16.17,19.24,(-6.69,-15.88,;-7.46,-17.21,;-9,-17.22,;-6.68,-18.54,;-7.45,-19.88,;-8.99,-19.89,;-9.75,-21.22,;-8.97,-22.56,;-7.43,-22.55,;-6.67,-21.21,;-5.14,-21.21,;-4.36,-22.53,;-2.82,-22.53,;-2.06,-21.19,;-2.83,-19.87,;-4.37,-19.87,;-.52,-21.19,;.25,-22.52,;1.78,-22.52,;2.55,-21.19,;1.78,-19.85,;.24,-19.85,;4.11,-21.2,;4.86,-19.85,;3.52,-19.1,;6.2,-20.6,;5.6,-18.5,;7.15,-18.47,;7.89,-17.12,;7.08,-15.8,;7.82,-14.45,;5.54,-15.84,;4.81,-17.19,)|
BDBM50211326 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC1CC1 |wU:17.21,14.14,(8.73,5.18,;7.19,5.17,;6.43,3.83,;4.89,3.81,;4.14,2.47,;4.91,1.15,;6.46,1.16,;7.22,2.5,;8.76,2.51,;9.54,1.18,;4.15,-.19,;2.82,.59,;5.48,-.96,;3.37,-1.52,;1.82,-1.49,;1.03,-2.81,;-.51,-2.79,;-1.26,-1.44,;-.48,-.12,;1.07,-.14,;-2.8,-1.42,;-3.57,-2.74,;-5.11,-2.72,;-5.88,-1.38,;-5.08,-.06,;-3.54,-.08,;-7.41,-1.37,;-8.19,-2.69,;-9.72,-2.68,;-10.49,-1.33,;-9.7,-0,;-8.16,-.02,;-7.37,1.3,;-8.13,2.65,;-7.34,3.97,;-5.99,4.72,;-7.31,5.5,)|
BDBM50211327 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F |wU:16.17,19.24,(-9.41,-5.91,;-10.19,-7.23,;-11.73,-7.21,;-9.44,-8.57,;-10.23,-9.9,;-11.76,-9.88,;-12.57,-11.21,;-11.8,-12.55,;-10.25,-12.57,;-9.48,-11.24,;-7.95,-11.26,;-7.18,-12.6,;-5.64,-12.62,;-4.87,-11.3,;-5.61,-9.96,;-7.15,-9.94,;-3.33,-11.32,;-2.58,-12.66,;-1.04,-12.69,;-.26,-11.36,;-1,-10.02,;-2.55,-9.99,;1.3,-11.4,;2.08,-10.07,;.74,-9.29,;3.4,-10.83,;2.83,-8.72,;2.06,-7.41,;2.81,-6.07,;4.36,-6.05,;5.12,-4.71,;5.14,-7.38,;4.38,-8.72,;5.16,-10.05,)|
BDBM50211328 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(F)c1 |wU:16.17,wD:19.24,(21.3,5.8,;20.52,4.47,;18.98,4.49,;21.27,3.13,;20.48,1.81,;18.95,1.82,;18.16,.5,;18.92,-.85,;20.46,-.86,;21.24,.46,;22.77,.44,;23.53,-.89,;25.07,-.91,;25.85,.41,;25.1,1.75,;23.56,1.76,;27.38,.39,;28.17,1.71,;29.71,1.69,;30.46,.34,;29.67,-.98,;28.14,-.96,;32.02,.31,;32.79,1.64,;31.46,2.41,;34.12,.87,;33.55,2.98,;32.78,4.3,;33.53,5.64,;35.08,5.65,;35.86,4.33,;37.4,4.34,;35.1,2.99,)|
BDBM50211329 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1 |wU:16.17,19.24,(-7.57,-30.94,;-8.35,-32.26,;-9.89,-32.24,;-7.6,-33.6,;-8.39,-34.93,;-9.92,-34.91,;-10.71,-36.24,;-9.95,-37.58,;-8.41,-37.59,;-7.63,-36.27,;-6.1,-36.29,;-5.34,-37.63,;-3.8,-37.65,;-3.02,-36.33,;-3.77,-34.99,;-5.31,-34.97,;-1.48,-36.35,;-.73,-37.69,;.8,-37.71,;1.59,-36.39,;.84,-35.05,;-.7,-35.02,;3.15,-36.43,;3.92,-35.1,;2.59,-34.32,;5.25,-35.86,;4.68,-33.76,;6.22,-33.74,;7,-35.07,;8.54,-35.06,;9.3,-33.72,;8.51,-32.39,;6.97,-32.41,)|
BDBM50211330 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(7.58,-42.99,;8.35,-41.66,;7.58,-40.32,;8.35,-38.99,;7.58,-37.66,;6.04,-37.66,;5.27,-36.32,;5.27,-38.99,;6.04,-40.32,;5.27,-41.66,;3.94,-40.89,;6.6,-42.43,;4.5,-42.99,;2.96,-42.99,;2.19,-44.32,;.65,-44.32,;-.12,-42.99,;.65,-41.66,;2.19,-41.66,;-1.66,-42.99,;-2.44,-44.32,;-3.98,-44.32,;-4.75,-42.99,;-3.98,-41.66,;-2.44,-41.66,;-6.29,-42.99,;-7.06,-44.32,;-8.6,-44.32,;-9.37,-42.99,;-8.6,-41.66,;-7.06,-41.66,;-6.29,-40.32,;-7.06,-38.99,;-6.29,-37.66,;-8.6,-38.99,)|
BDBM50211331 Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC1CC1 |wU:15.19,12.12,(6.61,-24.75,;5.83,-23.42,;6.59,-22.08,;5.8,-20.75,;4.26,-20.77,;3.47,-19.44,;3.51,-22.11,;4.28,-23.43,;3.52,-24.77,;2.19,-23.99,;4.85,-25.53,;2.74,-26.1,;1.19,-26.06,;.4,-27.39,;-1.14,-27.36,;-1.89,-26.02,;-1.11,-24.69,;.44,-24.72,;-3.43,-26,;-4.2,-27.32,;-5.74,-27.3,;-6.51,-25.96,;-5.71,-24.64,;-4.17,-24.66,;-8.04,-25.94,;-8.82,-27.27,;-10.35,-27.25,;-11.12,-25.91,;-10.33,-24.58,;-8.79,-24.6,;-8,-23.28,;-8.76,-21.93,;-7.97,-20.61,;-6.62,-19.85,;-7.94,-19.07,)|
BDBM50211332 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC1CC1 |wU:16.20,13.13,(5.81,-13.89,;6.57,-12.55,;5.79,-11.22,;6.55,-9.88,;5.77,-8.56,;4.22,-8.57,;3.43,-7.25,;3.47,-9.91,;4.24,-11.23,;3.48,-12.57,;2.15,-11.8,;4.81,-13.34,;2.71,-13.9,;1.15,-13.87,;.36,-15.19,;-1.18,-15.17,;-1.93,-13.82,;-1.15,-12.5,;.4,-12.52,;-3.46,-13.8,;-4.24,-15.12,;-5.78,-15.1,;-6.54,-13.77,;-5.75,-12.45,;-4.21,-12.46,;-8.08,-13.75,;-8.86,-15.07,;-10.39,-15.06,;-11.15,-13.71,;-10.37,-12.39,;-8.83,-12.4,;-8.04,-11.08,;-8.8,-9.74,;-8.01,-8.41,;-6.66,-7.66,;-7.98,-6.88,)|
BDBM50211333 COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(9.38,-31.96,;7.85,-31.96,;7.07,-30.62,;7.83,-29.29,;7.07,-27.96,;5.53,-27.96,;4.75,-26.6,;4.78,-29.27,;5.54,-30.62,;4.77,-31.96,;3.44,-31.19,;6.11,-32.74,;4,-33.28,;2.44,-33.28,;1.67,-34.61,;.15,-34.61,;-.63,-33.28,;.15,-31.94,;1.68,-31.96,;-2.17,-33.28,;-2.94,-34.61,;-4.48,-34.61,;-5.26,-33.29,;-4.47,-31.95,;-2.93,-31.95,;-6.8,-33.29,;-7.57,-34.61,;-9.11,-34.61,;-9.88,-33.28,;-9.11,-31.94,;-7.57,-31.94,;-6.8,-30.6,;-7.58,-29.27,;-6.8,-27.93,;-9.11,-29.27,)|
BDBM50211334 COc1ccc(OC)c(c1)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:17.21,14.14,(5.06,-2.44,;4.28,-3.8,;5.06,-5.16,;6.59,-5.16,;7.36,-6.49,;6.59,-7.81,;7.37,-9.16,;8.89,-9.16,;5.07,-7.81,;4.31,-6.47,;4.3,-9.14,;2.97,-8.38,;5.64,-9.92,;3.53,-10.47,;1.97,-10.47,;1.2,-11.8,;-.33,-11.8,;-1.1,-10.47,;-.33,-9.13,;1.2,-9.15,;-2.65,-10.47,;-3.42,-11.81,;-4.96,-11.81,;-5.74,-10.47,;-4.96,-9.15,;-3.41,-9.15,;-7.28,-10.47,;-8.06,-11.8,;-9.59,-11.8,;-10.36,-10.47,;-9.59,-9.13,;-8.05,-9.13,;-7.28,-7.79,;-8.05,-6.46,;-7.28,-5.12,;-9.6,-6.46,)|
BDBM50211335 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1F |wU:16.17,wD:19.24,(14.29,-4.12,;13.51,-5.45,;11.97,-5.43,;14.26,-6.79,;13.48,-8.12,;11.94,-8.1,;11.15,-9.42,;11.92,-10.77,;13.45,-10.78,;14.23,-9.46,;15.76,-9.48,;16.53,-10.82,;18.06,-10.84,;18.84,-9.51,;18.1,-8.18,;16.56,-8.16,;20.38,-9.54,;21.16,-8.21,;22.7,-8.23,;23.45,-9.58,;22.66,-10.9,;21.13,-10.88,;25.01,-9.61,;25.79,-8.28,;24.46,-7.5,;27.11,-9.05,;26.54,-6.94,;25.77,-5.62,;26.52,-4.28,;28.07,-4.26,;28.83,-2.92,;28.85,-5.59,;28.09,-6.93,;28.87,-8.26,)|
BDBM50211336 COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)[N+]([O-])=O |wU:15.19,wD:12.12,(29.55,-22.35,;30.32,-21.01,;29.55,-19.68,;30.32,-18.35,;29.55,-17.01,;28.01,-17.01,;27.24,-18.35,;28.01,-19.68,;27.24,-21.01,;25.9,-20.24,;28.57,-21.78,;26.47,-22.35,;24.93,-22.35,;24.16,-21.01,;22.62,-21.01,;21.85,-22.35,;22.62,-23.68,;24.16,-23.68,;20.31,-22.35,;19.53,-23.68,;17.99,-23.68,;17.22,-22.35,;17.99,-21.01,;19.53,-21.01,;15.68,-22.35,;14.91,-23.68,;13.37,-23.68,;12.6,-22.35,;13.37,-21.01,;14.91,-21.01,;15.68,-19.68,;14.91,-18.35,;15.68,-17.01,;13.37,-18.35,;27.24,-15.67,;28.01,-14.35,;25.7,-15.67,)|
BDBM50211337 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)Cc1ccccc1 |wU:16.17,wD:19.24,(15.59,-29.47,;14.8,-30.79,;13.26,-30.77,;15.56,-32.13,;14.77,-33.46,;13.23,-33.44,;12.44,-34.77,;13.21,-36.11,;14.74,-36.12,;15.52,-34.8,;17.05,-34.82,;17.82,-36.16,;19.36,-36.18,;20.13,-34.86,;19.39,-33.52,;17.85,-33.5,;21.67,-34.88,;22.45,-33.55,;24,-33.58,;24.75,-34.92,;23.96,-36.24,;22.42,-36.22,;26.3,-34.96,;27.08,-33.63,;25.75,-32.85,;28.4,-34.39,;27.84,-32.29,;29.38,-32.27,;30.15,-33.6,;31.69,-33.59,;32.45,-32.25,;31.66,-30.92,;30.13,-30.94,)|
BDBM50211338 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1C#N |wU:16.17,19.24,(16.79,-6.82,;16.01,-8.14,;14.47,-8.12,;16.76,-9.49,;15.97,-10.81,;14.44,-10.79,;13.65,-12.12,;14.41,-13.46,;15.95,-13.48,;16.73,-12.15,;18.26,-12.17,;19.02,-13.51,;20.56,-13.53,;21.34,-12.21,;20.59,-10.87,;19.05,-10.85,;22.88,-12.23,;23.63,-13.57,;25.16,-13.6,;25.95,-12.27,;25.2,-10.93,;23.66,-10.9,;27.51,-12.31,;28.28,-10.98,;26.95,-10.2,;29.61,-11.74,;29.04,-9.64,;28.27,-8.32,;29.02,-6.98,;30.57,-6.96,;31.35,-8.29,;30.59,-9.63,;31.37,-10.95,;32.15,-12.28,)|
BDBM50211339 COc1ccncc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:15.19,wD:12.12,(27.63,5.59,;28.41,4.27,;29.95,4.28,;30.7,5.62,;32.25,5.64,;33.03,4.31,;32.27,2.97,;30.72,2.96,;29.96,1.62,;28.63,2.4,;31.29,.86,;29.19,.29,;27.63,.33,;26.88,1.67,;25.34,1.7,;24.56,.37,;25.31,-.97,;26.84,-1,;23.02,.39,;22.24,-.93,;20.7,-.91,;19.94,.43,;20.73,1.75,;22.27,1.73,;18.41,.45,;17.63,-.88,;16.09,-.86,;15.33,.48,;16.12,1.81,;17.65,1.79,;18.44,3.11,;17.69,4.46,;18.47,5.78,;16.15,4.48,)|
BDBM50211340 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(30.36,-41.07,;31.13,-39.74,;30.36,-38.4,;31.13,-37.07,;30.36,-35.74,;28.82,-35.74,;28.05,-34.4,;28.05,-37.07,;28.82,-38.4,;28.05,-39.74,;26.72,-38.97,;29.38,-40.51,;27.28,-41.07,;25.74,-41.07,;24.97,-39.74,;23.43,-39.74,;22.66,-41.07,;23.43,-42.4,;24.97,-42.4,;21.12,-41.07,;20.35,-42.4,;18.81,-42.4,;18.04,-41.07,;18.81,-39.74,;20.35,-39.74,;16.5,-41.07,;15.73,-42.4,;14.19,-42.4,;13.42,-41.07,;14.19,-39.74,;15.73,-39.74,;16.5,-38.4,;15.73,-37.07,;16.5,-35.74,;14.19,-37.07,)|
BDBM50211341 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 |wU:16.17,19.24,(-7.75,-8.21,;-8.54,-9.53,;-10.08,-9.51,;-7.79,-10.88,;-8.57,-12.2,;-10.11,-12.18,;-10.9,-13.51,;-10.14,-14.86,;-8.6,-14.87,;-7.82,-13.55,;-6.29,-13.56,;-5.53,-14.9,;-3.99,-14.92,;-3.21,-13.6,;-3.95,-12.26,;-5.49,-12.24,;-1.67,-13.62,;-.92,-14.97,;.61,-14.99,;1.41,-13.67,;.65,-12.32,;-.89,-12.3,;2.96,-13.7,;3.74,-12.37,;2.41,-11.59,;5.06,-13.14,;4.5,-11.03,;6.05,-11.02,;6.8,-9.68,;6.02,-8.35,;6.78,-7.01,;4.47,-8.37,;3.69,-7.05,;3.72,-9.71,)|
BDBM50211342 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1Cl |wU:16.17,19.24,(-7.91,-40.14,;-8.67,-41.47,;-10.21,-41.47,;-7.91,-42.8,;-8.67,-44.13,;-10.21,-44.13,;-10.98,-45.46,;-10.21,-46.8,;-8.67,-46.8,;-7.91,-45.46,;-6.37,-45.46,;-5.6,-46.8,;-4.06,-46.8,;-3.29,-45.46,;-4.06,-44.13,;-5.6,-44.13,;-1.75,-45.46,;-.99,-46.8,;.55,-46.8,;1.32,-45.46,;.55,-44.13,;-.99,-44.13,;2.86,-45.46,;3.63,-44.13,;2.3,-43.37,;4.95,-44.91,;4.39,-42.8,;3.63,-41.47,;4.39,-40.14,;5.93,-40.14,;6.7,-38.81,;6.7,-41.47,;5.93,-42.8,;6.7,-44.13,)|
BDBM50211343 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(F)c1 |wU:16.17,19.24,(-6.39,4.8,;-7.18,3.48,;-8.72,3.5,;-6.42,2.13,;-7.21,.81,;-8.75,.83,;-9.53,-.5,;-8.77,-1.84,;-7.24,-1.85,;-6.46,-.53,;-4.93,-.55,;-4.16,-1.89,;-2.62,-1.91,;-1.85,-.59,;-2.59,.75,;-4.13,.77,;-.31,-.61,;.44,-1.95,;1.97,-1.98,;2.77,-.65,;2.01,.69,;.47,.72,;4.32,-.69,;5.1,.64,;3.77,1.42,;6.42,-.12,;5.86,1.98,;5.08,3.3,;5.83,4.64,;7.38,4.66,;8.16,3.33,;9.7,3.34,;7.4,1.99,)|
BDBM50211344 COc1ccc(C)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(9.34,-21.24,;7.8,-21.24,;7.03,-19.9,;7.8,-18.57,;7.03,-17.24,;5.49,-17.24,;4.72,-15.9,;4.72,-18.57,;5.49,-19.9,;4.72,-21.24,;3.39,-20.47,;6.05,-22.01,;3.95,-22.57,;2.41,-22.57,;1.64,-23.9,;.1,-23.9,;-.67,-22.57,;.1,-21.24,;1.64,-21.24,;-2.21,-22.57,;-2.98,-23.9,;-4.52,-23.9,;-5.29,-22.57,;-4.52,-21.24,;-2.98,-21.24,;-6.83,-22.57,;-7.6,-23.9,;-9.14,-23.9,;-9.91,-22.57,;-9.14,-21.24,;-7.6,-21.24,;-6.83,-19.9,;-7.6,-18.57,;-6.83,-17.24,;-9.14,-18.57,)|
BDBM50211345 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1[N+]([O-])=O |wU:16.17,wD:19.24,(-5.99,-39.63,;-6.77,-40.96,;-8.31,-40.94,;-6.02,-42.3,;-6.81,-43.62,;-8.35,-43.61,;-9.13,-44.93,;-8.37,-46.28,;-6.83,-46.29,;-6.05,-44.97,;-4.52,-44.99,;-3.76,-46.32,;-2.22,-46.34,;-1.44,-45.02,;-2.19,-43.68,;-3.73,-43.67,;.09,-45.04,;.88,-43.72,;2.42,-43.74,;3.17,-45.09,;2.38,-46.41,;.85,-46.39,;4.73,-45.12,;5.5,-43.79,;4.17,-43.02,;6.83,-44.56,;6.26,-42.45,;5.49,-41.13,;6.24,-39.79,;7.79,-39.78,;8.57,-41.1,;7.81,-42.44,;8.59,-43.78,;7.83,-45.12,;10.13,-43.77,)|
BDBM50211346 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1 |wU:16.17,wD:19.24,(16.2,-15.13,;15.43,-16.47,;13.89,-16.47,;16.21,-17.8,;15.44,-19.13,;13.9,-19.14,;13.14,-20.48,;13.92,-21.81,;15.46,-21.8,;16.22,-20.47,;17.75,-20.46,;18.53,-21.79,;20.07,-21.78,;20.83,-20.45,;20.06,-19.12,;18.52,-19.13,;22.37,-20.44,;23.13,-19.11,;24.67,-19.11,;25.44,-20.44,;24.67,-21.77,;23.14,-21.78,;27,-20.45,;27.75,-19.11,;26.41,-18.35,;29.09,-19.85,;28.49,-17.75,;30.04,-17.72,;30.78,-16.37,;29.97,-15.05,;30.71,-13.7,;28.43,-15.1,;27.7,-16.45,)|
BDBM50211347 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1 |wU:16.17,wD:19.24,(15.77,-6.17,;14.99,-7.5,;13.45,-7.48,;15.74,-8.84,;14.95,-10.16,;13.42,-10.14,;12.63,-11.47,;13.39,-12.82,;14.93,-12.83,;15.71,-11.51,;17.24,-11.53,;18,-12.86,;19.54,-12.88,;20.32,-11.56,;19.57,-10.22,;18.03,-10.21,;21.85,-11.58,;22.64,-10.26,;24.18,-10.28,;24.93,-11.63,;24.14,-12.95,;22.61,-12.93,;26.49,-11.66,;27.26,-10.33,;25.93,-9.56,;28.59,-11.1,;28.02,-8.99,;29.57,-8.98,;30.33,-7.64,;29.55,-6.32,;30.31,-4.97,;28,-6.33,;27.21,-5.01,;27.25,-7.67,)|
BDBM50211348 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(Cl)cc1Cl |wU:16.17,wD:19.24,(14.12,-38.4,;13.35,-39.73,;11.81,-39.73,;14.12,-41.06,;13.35,-42.39,;11.81,-42.39,;11.05,-43.72,;11.81,-45.06,;13.35,-45.06,;14.12,-43.72,;15.66,-43.72,;16.43,-45.06,;17.97,-45.06,;18.73,-43.72,;17.97,-42.39,;16.43,-42.39,;20.27,-43.72,;21.04,-42.39,;22.58,-42.39,;23.34,-43.72,;22.58,-45.06,;21.04,-45.06,;24.88,-43.72,;25.65,-42.39,;24.32,-41.62,;26.98,-43.17,;26.42,-41.06,;25.65,-39.73,;26.42,-38.4,;27.96,-38.4,;28.72,-37.06,;28.72,-39.73,;27.96,-41.06,;28.72,-42.39,)|
BDBM50211349 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1[N+]([O-])=O |wU:16.17,19.24,(17.2,-32,;16.41,-33.32,;14.87,-33.3,;17.16,-34.67,;16.38,-35.99,;14.84,-35.97,;14.05,-37.3,;14.81,-38.65,;16.35,-38.66,;17.13,-37.34,;18.66,-37.35,;19.42,-38.69,;20.96,-38.71,;21.74,-37.39,;20.99,-36.05,;19.45,-36.03,;23.28,-37.41,;24.03,-38.76,;25.56,-38.78,;26.36,-37.46,;25.6,-36.11,;24.06,-36.09,;27.91,-37.49,;28.69,-36.16,;27.36,-35.38,;30.01,-36.93,;29.44,-34.82,;28.67,-33.5,;29.42,-32.16,;30.97,-32.14,;31.75,-33.47,;30.99,-34.81,;31.78,-36.15,;31.02,-37.48,;33.32,-36.14,)|
BDBM50211350 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1F |wU:16.17,wD:19.24,(-6.34,-28.26,;-7.12,-29.59,;-8.66,-29.57,;-6.37,-30.93,;-7.16,-32.25,;-8.7,-32.23,;-9.48,-33.56,;-8.72,-34.91,;-7.18,-34.92,;-6.4,-33.6,;-4.87,-33.62,;-4.11,-34.95,;-2.57,-34.97,;-1.79,-33.65,;-2.54,-32.31,;-4.08,-32.3,;-.26,-33.67,;.53,-32.35,;2.07,-32.37,;2.82,-33.72,;2.03,-35.04,;.5,-35.02,;4.38,-33.75,;5.15,-32.42,;3.82,-31.65,;6.48,-33.19,;5.91,-31.08,;5.14,-29.76,;5.89,-28.42,;7.44,-28.4,;8.22,-29.73,;7.46,-31.07,;8.24,-32.4,)|
BDBM50211351 CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1 |wU:16.17,wD:19.24,(-5.19,-4.99,;-5.98,-6.31,;-7.52,-6.29,;-5.23,-7.66,;-6.01,-8.98,;-7.55,-8.96,;-8.34,-10.29,;-7.58,-11.64,;-6.04,-11.65,;-5.26,-10.33,;-3.73,-10.34,;-2.97,-11.68,;-1.43,-11.7,;-.65,-10.38,;-1.4,-9.04,;-2.94,-9.02,;.89,-10.4,;1.67,-9.08,;3.21,-9.1,;3.97,-10.45,;3.17,-11.77,;1.64,-11.75,;5.52,-10.48,;6.3,-9.15,;4.96,-8.37,;7.62,-9.92,;7.05,-7.81,;8.6,-7.8,;9.36,-6.46,;8.58,-5.13,;7.03,-5.15,;6.28,-6.49,)|
BDBM50211352 COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(30.24,-.06,;31.01,1.28,;30.24,2.61,;31.01,3.95,;30.24,5.28,;28.7,5.28,;27.93,6.61,;27.93,3.95,;28.7,2.61,;27.93,1.28,;26.59,2.05,;29.26,.51,;27.16,-.06,;25.62,-.06,;24.85,1.28,;23.31,1.28,;22.54,-.06,;23.31,-1.39,;24.85,-1.39,;21,-.06,;20.22,-1.39,;18.68,-1.39,;17.91,-.06,;18.68,1.28,;20.22,1.28,;16.37,-.06,;15.6,-1.39,;14.06,-1.39,;13.29,-.06,;14.06,1.28,;15.6,1.28,;16.37,2.61,;15.6,3.95,;16.37,5.28,;14.06,3.95,)|
BDBM50211353 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(cc1)S(C)(=O)=O |wU:16.17,19.24,(-6.29,-27.2,;-7.06,-28.53,;-8.6,-28.53,;-6.29,-29.86,;-7.05,-31.19,;-8.6,-31.19,;-9.38,-32.53,;-8.6,-33.89,;-7.04,-33.89,;-6.29,-32.52,;-4.73,-32.52,;-3.96,-33.86,;-2.42,-33.86,;-1.65,-32.54,;-2.43,-31.19,;-3.98,-31.19,;-.13,-32.54,;.64,-33.87,;2.18,-33.87,;2.96,-32.54,;2.17,-31.19,;.64,-31.2,;4.49,-32.54,;5.26,-31.21,;3.93,-30.44,;6.6,-31.98,;6.03,-29.87,;7.59,-29.87,;8.36,-28.55,;7.59,-27.23,;6.03,-27.23,;5.27,-28.55,;8.37,-25.89,;9.14,-24.55,;9.71,-26.66,;7.05,-25.12,)|
BDBM50211354 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(Cl)c1F |wU:16.17,19.24,(-6.28,4.98,;-7.04,3.64,;-8.59,3.64,;-6.27,2.31,;-7.04,.98,;-8.58,.96,;-9.34,-.38,;-8.55,-1.71,;-7.02,-1.7,;-6.26,-.35,;-4.72,-.35,;-3.93,-1.67,;-2.39,-1.66,;-1.64,-.31,;-2.41,1,;-3.95,.99,;-.1,-.31,;.68,-1.64,;2.21,-1.63,;2.98,-.29,;2.21,1.03,;.66,1.03,;4.52,-.29,;5.29,1.04,;3.95,1.81,;6.62,.27,;6.06,2.37,;5.27,3.74,;6.05,5.07,;7.6,5.05,;8.35,3.71,;9.89,3.71,;7.57,2.38,;8.34,1.04,)|
BDBM50211355 COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F |wU:15.19,12.12,(7.8,-11.98,;8.57,-10.64,;7.8,-9.3,;8.57,-7.97,;7.8,-6.63,;6.26,-6.63,;5.49,-7.97,;6.26,-9.3,;5.49,-10.64,;4.15,-9.87,;6.82,-11.41,;4.72,-11.98,;3.17,-11.98,;2.41,-13.31,;.86,-13.31,;.09,-11.98,;.86,-10.64,;2.41,-10.64,;-1.45,-11.98,;-2.22,-13.31,;-3.77,-13.31,;-4.54,-11.98,;-3.77,-10.64,;-2.22,-10.64,;-6.08,-11.98,;-6.85,-13.31,;-8.4,-13.31,;-9.16,-11.98,;-8.4,-10.64,;-6.85,-10.64,;-6.08,-9.3,;-6.85,-7.97,;-6.08,-6.63,;-8.4,-7.97,;5.49,-5.3,;4.72,-3.96,;4.15,-6.07,;6.82,-4.52,)|
BDBM50211356 COc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(6.82,.34,;7.59,1.68,;6.82,3.02,;7.59,4.35,;6.82,5.68,;5.28,5.68,;4.51,7.02,;4.51,4.35,;5.28,3.02,;4.51,1.68,;3.17,2.45,;5.84,.91,;3.74,.34,;2.2,.34,;1.43,-.98,;-.11,-.98,;-.88,.34,;-.11,1.68,;1.43,1.68,;-2.42,.34,;-3.2,-.98,;-4.74,-.98,;-5.51,.34,;-4.74,1.68,;-3.2,1.68,;-7.05,.34,;-7.82,-.98,;-9.36,-.98,;-10.13,.34,;-9.36,1.68,;-7.82,1.68,;-7.05,3.02,;-7.82,4.35,;-7.05,5.68,;-9.36,4.35,)|
BDBM50211357 CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc(c1)C(F)(F)F |wU:16.17,19.24,(-7.37,-6.15,;-8.14,-7.48,;-9.68,-7.48,;-7.37,-8.81,;-8.14,-10.15,;-9.67,-10.15,;-10.44,-11.49,;-9.66,-12.82,;-8.13,-12.81,;-7.36,-11.48,;-5.83,-11.48,;-5.05,-12.81,;-3.51,-12.8,;-2.75,-11.47,;-3.52,-10.15,;-5.06,-10.15,;-1.22,-11.47,;-.45,-12.81,;1.09,-12.81,;1.86,-11.48,;1.09,-10.14,;-.45,-10.14,;3.42,-11.49,;4.18,-10.15,;2.83,-9.39,;5.51,-10.9,;4.92,-8.8,;4.13,-7.49,;4.86,-6.14,;6.41,-6.1,;7.21,-7.42,;6.47,-8.77,;8.75,-7.39,;10.28,-7.37,;8.72,-5.85,;8.78,-8.93,)|
BDBM50211358 COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)C(F)(F)F |wU:15.19,wD:12.12,(30.26,-10.98,;31.03,-9.65,;30.26,-8.31,;31.03,-6.97,;30.26,-5.64,;28.72,-5.64,;27.95,-6.97,;28.72,-8.31,;27.95,-9.65,;26.6,-8.87,;29.28,-10.42,;27.18,-10.98,;25.63,-10.98,;24.86,-9.65,;23.32,-9.65,;22.55,-10.98,;23.32,-12.32,;24.86,-12.32,;21,-10.98,;20.24,-12.32,;18.69,-12.32,;17.92,-10.98,;18.69,-9.65,;20.24,-9.65,;16.38,-10.98,;15.61,-12.32,;14.06,-12.32,;13.29,-10.98,;14.06,-9.65,;15.61,-9.65,;16.38,-8.31,;15.61,-6.97,;16.38,-5.64,;14.06,-6.97,;27.95,-4.3,;27.18,-2.96,;26.6,-5.07,;29.28,-3.53,)|
BDBM50211359 COc1ccncc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:15.19,12.12,(2.34,4.24,;3.12,2.91,;4.66,2.93,;5.42,4.27,;6.96,4.29,;7.74,2.96,;6.99,1.62,;5.44,1.61,;4.68,.27,;3.35,1.04,;6,-.5,;3.9,-1.06,;2.35,-1.03,;1.55,-2.35,;.02,-2.33,;-.73,-.98,;.05,.34,;1.6,.32,;-2.27,-.96,;-3.04,-2.28,;-4.58,-2.26,;-5.35,-.93,;-4.55,.39,;-3.01,.38,;-6.88,-.91,;-7.66,-2.23,;-9.19,-2.22,;-9.96,-.87,;-9.17,.46,;-7.63,.44,;-6.84,1.76,;-7.6,3.1,;-6.81,4.43,;-9.14,3.12,)|
BDBM50211360 COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,wD:13.13,(32.13,-29.98,;30.6,-29.98,;29.83,-28.63,;30.59,-27.31,;29.83,-25.98,;28.29,-25.98,;27.51,-24.62,;27.54,-27.29,;28.3,-28.63,;27.52,-29.97,;26.19,-29.21,;28.87,-30.75,;26.76,-31.29,;25.2,-31.29,;24.44,-29.97,;22.91,-29.95,;22.13,-31.29,;22.9,-32.63,;24.43,-32.63,;20.59,-31.29,;19.82,-32.63,;18.27,-32.63,;17.5,-31.3,;18.28,-29.97,;19.82,-29.97,;15.96,-31.3,;15.18,-32.63,;13.65,-32.63,;12.88,-31.3,;13.65,-29.96,;15.19,-29.96,;15.96,-28.62,;15.18,-27.28,;15.96,-25.95,;13.65,-27.28,)|
BDBM50213533 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)F |wU:17.21,wD:14.14,(32.79,-36.92,;31.25,-36.91,;30.47,-38.24,;28.91,-38.24,;28.14,-39.59,;28.9,-40.91,;30.46,-40.91,;31.23,-39.59,;32.77,-39.6,;33.53,-40.94,;28.13,-42.25,;26.81,-41.49,;29.49,-43.03,;27.38,-43.56,;25.8,-43.56,;25.04,-42.25,;23.51,-42.21,;22.75,-43.53,;23.52,-44.88,;25.04,-44.88,;21.18,-43.53,;20.41,-44.86,;18.88,-44.86,;18.11,-43.51,;18.88,-42.18,;20.41,-42.21,;16.55,-43.51,;15.78,-44.85,;14.24,-44.85,;13.47,-43.5,;14.25,-42.18,;15.78,-42.18,;16.55,-40.83,;15.78,-39.5,;16.55,-38.16,;15.78,-36.83,;18.09,-38.16,)|
BDBM50213534 O=S(=O)(N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1)c1ccc2OCOc2c1 |wU:7.10,wD:4.3,(26.12,.88,;27.45,.11,;28.8,-.66,;26.69,-1.19,;25.12,-1.19,;24.36,.12,;22.82,.16,;22.06,-1.16,;22.84,-2.51,;24.36,-2.51,;20.49,-1.16,;19.73,-2.49,;18.2,-2.49,;17.43,-1.14,;18.2,.19,;19.73,.16,;15.87,-1.14,;15.1,-2.48,;13.56,-2.48,;12.79,-1.13,;13.57,.19,;15.1,.19,;15.87,1.53,;15.11,2.87,;15.11,4.42,;13.77,3.64,;28.21,1.46,;27.45,2.78,;28.22,4.13,;29.78,4.13,;30.82,5.26,;32.23,4.63,;32.06,3.09,;30.54,2.78,;29.78,1.46,)|
BDBM50213535 Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:15.19,wD:12.12,(31.74,-46.23,;30.97,-44.89,;31.73,-43.57,;30.98,-42.22,;29.42,-42.22,;28.65,-40.89,;28.65,-43.57,;29.41,-44.89,;28.64,-46.24,;27.32,-45.47,;30,-47.01,;27.88,-47.54,;26.31,-47.54,;25.55,-46.24,;24.01,-46.19,;23.25,-47.51,;24.03,-48.86,;25.55,-48.86,;21.68,-47.51,;20.91,-48.84,;19.39,-48.84,;18.61,-47.49,;19.38,-46.16,;20.92,-46.19,;17.06,-47.49,;16.28,-48.83,;14.74,-48.83,;13.97,-47.48,;14.76,-46.16,;16.28,-46.16,;17.06,-44.82,;16.29,-43.48,;17.06,-42.15,;17.82,-40.8,;18.39,-42.91,;15.72,-41.39,)|
BDBM50213536 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCCF |wU:17.21,14.14,(9.78,-22.9,;8.24,-22.89,;7.46,-24.22,;5.9,-24.22,;5.13,-25.56,;5.89,-26.89,;7.45,-26.89,;8.21,-25.57,;9.75,-25.58,;10.52,-26.91,;5.12,-28.23,;3.8,-27.47,;6.48,-29.01,;4.36,-29.54,;2.79,-29.54,;2.03,-30.86,;.51,-30.86,;-.27,-29.51,;.5,-28.19,;2.03,-28.23,;-1.84,-29.51,;-2.6,-30.83,;-4.13,-30.83,;-4.91,-29.49,;-4.14,-28.16,;-2.6,-28.19,;-6.46,-29.49,;-7.23,-30.83,;-8.77,-30.83,;-9.55,-29.48,;-8.76,-28.16,;-7.24,-28.16,;-6.46,-26.81,;-7.23,-25.48,;-6.46,-24.14,;-7.23,-22.81,)|
BDBM50213537 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(31.88,-7.8,;30.34,-7.79,;29.56,-9.12,;28,-9.12,;27.23,-10.47,;27.99,-11.79,;29.55,-11.79,;30.32,-10.47,;31.86,-10.48,;32.62,-11.82,;27.22,-13.13,;25.9,-12.37,;28.58,-13.91,;26.47,-14.44,;24.89,-14.44,;24.14,-13.13,;22.6,-13.09,;21.84,-14.41,;22.61,-15.76,;24.13,-15.76,;20.27,-14.41,;19.5,-15.73,;17.98,-15.73,;17.2,-14.39,;17.97,-13.06,;19.51,-13.09,;15.65,-14.39,;14.87,-15.72,;13.33,-15.72,;12.56,-14.38,;13.35,-13.06,;14.87,-13.06,;15.65,-11.71,;14.88,-10.38,;15.64,-9.04,;16.4,-7.7,;16.98,-9.81,;14.31,-8.28,)|
BDBM50213538 Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:15.19,12.12,(9.95,-45.7,;9.18,-44.37,;9.94,-43.03,;9.15,-41.7,;7.6,-41.72,;6.82,-40.4,;6.85,-43.06,;7.63,-44.38,;6.87,-45.72,;5.52,-44.99,;8.22,-46.47,;6.15,-47.08,;4.62,-47.14,;3.89,-48.5,;2.36,-48.56,;1.54,-47.26,;2.25,-45.9,;3.79,-45.84,;.01,-47.32,;-.71,-48.68,;-2.24,-48.74,;-3.07,-47.44,;-2.36,-46.08,;-.82,-46.02,;-4.61,-47.51,;-5.32,-48.88,;-6.86,-48.95,;-7.68,-47.64,;-6.98,-46.28,;-5.44,-46.21,;-4.74,-44.84,;-5.57,-43.54,;-5.64,-42,;-6.94,-42.83,)|
BDBM50213539 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1cc(F)ccc1OC(C)C |wU:17.21,wD:14.14,(32.28,-7.61,;30.74,-7.6,;29.96,-8.93,;28.4,-8.93,;27.63,-10.28,;28.39,-11.6,;29.95,-11.6,;30.71,-10.28,;32.25,-10.29,;33.01,-11.63,;27.62,-12.95,;26.3,-12.18,;28.98,-13.72,;26.86,-14.25,;25.29,-14.25,;24.53,-12.94,;23,-12.9,;22.23,-14.22,;23.01,-15.57,;24.53,-15.57,;20.67,-14.22,;19.9,-15.55,;18.37,-15.55,;17.6,-14.2,;18.37,-12.87,;19.9,-12.9,;16.04,-14.2,;15.27,-15.54,;13.73,-15.54,;12.96,-16.87,;12.96,-14.19,;13.74,-12.87,;15.27,-12.87,;16.04,-11.52,;15.27,-10.19,;16.04,-8.86,;13.73,-10.19,)|
BDBM50213508 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1OC(C)C |wU:17.21,wD:14.14,(30.8,4.05,;29.26,4.06,;28.48,2.73,;26.92,2.73,;26.15,1.38,;26.91,.06,;28.47,.06,;29.23,1.38,;30.77,1.37,;31.54,.03,;26.14,-1.29,;24.82,-.52,;27.5,-2.06,;25.39,-2.59,;23.81,-2.59,;23.05,-1.28,;21.52,-1.24,;20.76,-2.56,;21.53,-3.91,;23.05,-3.91,;19.19,-2.56,;18.42,-3.89,;16.89,-3.89,;16.12,-2.54,;16.89,-1.21,;18.43,-1.24,;14.57,-2.54,;13.79,-3.88,;12.25,-3.88,;11.48,-2.53,;9.94,-2.52,;12.27,-1.21,;13.79,-1.21,;14.57,.13,;13.79,1.47,;14.56,2.8,;12.25,1.47,)|
BDBM50213522 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:16.20,13.13,(10.72,-35.85,;9.18,-35.85,;8.41,-34.51,;9.17,-33.19,;8.41,-31.84,;6.86,-31.84,;6.08,-30.51,;6.08,-33.19,;6.85,-34.51,;6.08,-35.86,;4.75,-35.09,;7.44,-36.63,;5.32,-37.16,;3.75,-37.16,;2.99,-38.48,;1.47,-38.48,;.69,-37.13,;1.45,-35.81,;2.99,-35.86,;-.88,-37.13,;-1.65,-38.46,;-3.17,-38.46,;-3.95,-37.11,;-3.18,-35.78,;-1.64,-35.81,;-5.5,-37.11,;-6.28,-38.45,;-7.82,-38.45,;-8.59,-37.1,;-7.8,-35.78,;-6.28,-35.78,;-5.5,-34.44,;-6.27,-33.1,;-5.5,-31.77,;-4.75,-30.43,;-4.17,-32.53,;-6.84,-31.01,)|
BDBM50213523 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)F |wU:17.21,14.14,(10.25,-37,;8.71,-36.99,;7.93,-38.32,;6.37,-38.32,;5.6,-39.66,;6.36,-40.99,;7.93,-40.99,;8.69,-39.66,;10.23,-39.67,;10.99,-41.01,;5.59,-42.33,;4.27,-41.57,;6.95,-43.11,;4.84,-43.64,;3.26,-43.64,;2.5,-44.96,;.98,-44.96,;.21,-43.6,;.97,-42.29,;2.51,-42.33,;-1.36,-43.6,;-2.13,-44.93,;-3.66,-44.93,;-4.43,-43.59,;-3.66,-42.25,;-2.12,-42.29,;-5.98,-43.59,;-6.76,-44.92,;-8.3,-44.92,;-9.07,-43.58,;-8.29,-42.25,;-6.76,-42.25,;-5.98,-40.91,;-6.76,-39.58,;-5.99,-38.24,;-6.76,-36.91,;-4.45,-38.24,)|
BDBM50213524 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC(C)C |wU:17.21,wD:14.14,(30.34,5.31,;28.8,5.3,;28.05,3.95,;26.49,3.94,;25.74,2.59,;26.52,1.27,;28.07,1.28,;28.83,2.62,;30.37,2.64,;31.15,1.31,;25.76,-.07,;24.41,.67,;27.11,-.81,;25.04,-1.43,;23.51,-1.49,;22.68,-.18,;21.14,-.24,;20.43,-1.6,;21.25,-2.91,;22.79,-2.85,;18.9,-1.66,;18.18,-3.02,;16.65,-3.09,;15.82,-1.79,;16.53,-.42,;18.07,-.36,;14.28,-1.85,;13.57,-3.22,;12.03,-3.29,;11.2,-1.99,;11.91,-.62,;13.45,-.55,;14.15,.82,;13.32,2.11,;14.03,3.48,;11.78,2.04,)|
BDBM50213525 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(10.65,-7.4,;9.11,-7.39,;8.33,-8.72,;6.77,-8.72,;6,-10.07,;6.76,-11.39,;8.32,-11.39,;9.08,-10.07,;10.62,-10.08,;11.38,-11.42,;5.99,-12.74,;4.67,-11.97,;7.35,-13.51,;5.23,-14.04,;3.66,-14.04,;2.9,-15.36,;1.38,-15.36,;.6,-14.01,;1.37,-12.69,;2.9,-12.73,;-.96,-14.01,;-1.73,-15.34,;-3.26,-15.34,;-4.03,-13.99,;-3.26,-12.66,;-1.73,-12.69,;-5.59,-13.99,;-6.36,-15.33,;-7.9,-15.33,;-8.67,-13.98,;-7.89,-12.66,;-6.36,-12.66,;-5.59,-11.31,;-6.36,-9.98,;-5.59,-8.65,;-4.83,-7.3,;-4.25,-9.41,;-6.93,-7.89,)|
BDBM50213526 FC(F)Oc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(33.81,-7.51,;33.03,-8.83,;33.79,-10.17,;31.49,-8.82,;30.71,-10.15,;29.15,-10.15,;28.38,-11.5,;29.14,-12.82,;30.71,-12.82,;31.47,-11.5,;28.37,-14.17,;27.05,-13.4,;29.73,-14.94,;27.62,-15.47,;26.04,-15.47,;25.29,-14.16,;23.75,-14.12,;22.99,-15.44,;23.76,-16.79,;25.28,-16.79,;21.42,-15.44,;20.65,-16.77,;19.13,-16.77,;18.35,-15.42,;19.12,-14.09,;20.66,-14.12,;16.8,-15.42,;16.02,-16.76,;14.48,-16.76,;13.71,-15.41,;14.5,-14.09,;16.02,-14.09,;16.8,-12.75,;16.03,-11.41,;16.8,-10.08,;17.55,-8.73,;18.13,-10.84,;15.46,-9.32,)|
BDBM50213509 FC(F)Oc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(10.76,-7.54,;9.98,-8.87,;10.75,-10.21,;8.44,-8.86,;7.67,-10.19,;6.11,-10.19,;5.34,-11.54,;6.1,-12.86,;7.66,-12.86,;8.42,-11.54,;5.33,-14.21,;4.01,-13.44,;6.69,-14.98,;4.57,-15.51,;3,-15.51,;2.24,-16.83,;.72,-16.83,;-.06,-15.48,;.71,-14.16,;2.24,-14.2,;-1.62,-15.48,;-2.39,-16.81,;-3.92,-16.81,;-4.69,-15.46,;-3.92,-14.13,;-2.39,-14.16,;-6.25,-15.46,;-7.02,-16.8,;-8.56,-16.8,;-9.33,-15.45,;-8.55,-14.13,;-7.02,-14.13,;-6.25,-12.78,;-7.02,-11.45,;-6.25,-10.12,;-5.49,-8.77,;-4.91,-10.88,;-7.59,-9.36,)|
BDBM50213510 Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:15.19,wD:12.12,(31.96,-44.68,;31.18,-43.35,;31.94,-42.01,;31.16,-40.68,;29.61,-40.69,;28.82,-39.37,;28.85,-42.04,;29.64,-43.36,;28.88,-44.7,;27.52,-43.96,;30.22,-45.44,;28.16,-46.06,;26.62,-46.12,;25.8,-44.81,;24.25,-44.87,;23.54,-46.24,;24.37,-47.54,;25.9,-47.48,;22.01,-46.29,;21.29,-47.66,;19.76,-47.72,;18.93,-46.42,;19.64,-45.05,;21.18,-44.99,;17.39,-46.49,;16.68,-47.85,;15.14,-47.92,;14.31,-46.62,;15.02,-45.26,;16.56,-45.18,;17.26,-43.81,;16.43,-42.52,;16.36,-40.99,;15.06,-41.82,)|
BDBM50213511 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:17.21,14.14,(10.4,-18.11,;8.86,-18.12,;8.11,-19.46,;6.55,-19.48,;5.8,-20.82,;6.58,-22.14,;8.13,-22.14,;8.89,-20.8,;10.43,-20.78,;11.21,-22.11,;5.82,-23.49,;4.47,-22.75,;7.17,-24.23,;5.1,-24.85,;3.57,-24.91,;2.85,-26.27,;1.31,-26.33,;.49,-25.02,;1.2,-23.66,;2.75,-23.6,;-1.04,-25.08,;-1.76,-26.44,;-3.29,-26.51,;-4.12,-25.21,;-3.41,-23.84,;-1.87,-23.78,;-5.66,-25.27,;-6.37,-26.64,;-7.91,-26.71,;-8.73,-25.41,;-8.03,-24.04,;-6.49,-23.97,;-5.79,-22.6,;-6.62,-21.31,;-6.69,-19.77,;-7.99,-20.6,)|
BDBM50213512 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:16.20,13.13,(10.04,-34.29,;8.5,-34.3,;7.72,-32.97,;8.48,-31.63,;7.7,-30.3,;6.15,-30.32,;5.37,-29,;5.4,-31.66,;6.18,-32.98,;5.42,-34.32,;4.07,-33.59,;6.77,-35.07,;4.7,-35.69,;3.16,-35.74,;2.44,-37.1,;.91,-37.16,;.09,-35.86,;.8,-34.5,;2.34,-34.44,;-1.45,-35.92,;-2.16,-37.28,;-3.7,-37.35,;-4.52,-36.05,;-3.82,-34.68,;-2.28,-34.62,;-6.06,-36.11,;-6.77,-37.48,;-8.31,-37.55,;-9.14,-36.24,;-8.43,-34.88,;-6.9,-34.81,;-6.19,-33.44,;-7.02,-32.14,;-7.1,-30.6,;-8.39,-31.43,)|
BDBM50213513 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:17.21,wD:14.14,(32.87,-18.24,;31.33,-18.26,;30.57,-19.6,;29.02,-19.61,;28.27,-20.96,;29.05,-22.28,;30.59,-22.27,;31.35,-20.93,;32.89,-20.92,;33.67,-22.24,;28.29,-23.62,;26.94,-22.88,;29.64,-24.36,;27.57,-24.98,;26.03,-25.04,;25.21,-23.74,;23.67,-23.79,;22.96,-25.16,;23.78,-26.46,;25.31,-26.4,;21.42,-25.21,;20.7,-26.58,;19.17,-26.64,;18.34,-25.34,;19.05,-23.98,;20.59,-23.91,;16.81,-25.41,;16.09,-26.78,;14.55,-26.84,;13.73,-25.54,;14.43,-24.18,;15.97,-24.1,;16.67,-22.73,;15.84,-21.44,;15.77,-19.91,;14.47,-20.74,)|
BDBM50213514 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:16.20,wD:13.13,(32.85,-34.59,;31.31,-34.6,;30.53,-33.27,;31.29,-31.93,;30.5,-30.6,;28.95,-30.62,;28.17,-29.3,;28.2,-31.96,;28.98,-33.28,;28.22,-34.62,;26.87,-33.89,;29.57,-35.37,;27.5,-35.99,;25.97,-36.04,;25.14,-34.74,;23.6,-34.8,;22.89,-36.16,;23.71,-37.46,;25.24,-37.4,;21.35,-36.22,;20.64,-37.58,;19.11,-37.65,;18.28,-36.35,;18.98,-34.98,;20.53,-34.92,;16.74,-36.41,;16.03,-37.78,;14.49,-37.85,;13.66,-36.54,;14.37,-35.18,;15.9,-35.11,;16.61,-33.74,;15.78,-32.44,;15.7,-30.91,;14.41,-31.74,)|
BDBM50213515 COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:16.20,wD:13.13,(33.93,-35.76,;32.39,-35.76,;31.62,-34.43,;32.38,-33.1,;31.63,-31.76,;30.07,-31.76,;29.3,-30.42,;29.3,-33.1,;30.06,-34.43,;29.29,-35.77,;27.97,-35.01,;30.65,-36.55,;28.53,-37.08,;26.96,-37.08,;26.2,-35.77,;24.67,-35.73,;23.9,-37.04,;24.68,-38.4,;26.2,-38.4,;22.33,-37.04,;21.57,-38.37,;20.04,-38.37,;19.26,-37.03,;20.03,-35.69,;21.57,-35.73,;17.71,-37.03,;16.94,-38.36,;15.4,-38.36,;14.62,-37.01,;15.41,-35.69,;16.93,-35.69,;17.71,-34.35,;16.94,-33.02,;17.71,-31.68,;18.47,-30.34,;19.05,-32.44,;16.37,-30.92,)|
BDBM50213516 FC(F)(F)COc1ccccc1C1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc2OCCOc2c1 |wU:18.19,21.26,(-5.05,-19.16,;-5.81,-20.51,;-4.47,-21.27,;-7.15,-19.75,;-6.58,-21.84,;-5.8,-23.18,;-6.58,-24.52,;-8.1,-24.52,;-8.89,-25.84,;-8.12,-27.19,;-6.58,-27.19,;-5.8,-25.85,;-4.25,-25.85,;-3.48,-27.2,;-1.95,-27.2,;-1.18,-25.87,;-1.94,-24.55,;-3.48,-24.52,;.39,-25.87,;1.16,-27.22,;2.68,-27.22,;3.44,-25.9,;2.68,-24.59,;1.15,-24.55,;5.02,-25.9,;5.77,-24.6,;4.45,-23.83,;7.13,-25.37,;6.54,-23.25,;5.78,-21.93,;6.55,-20.58,;8.11,-20.58,;8.89,-19.25,;10.43,-19.26,;11.19,-20.6,;10.41,-21.93,;8.86,-21.93,;8.1,-23.25,)|
BDBM50213517 O=S(=O)(N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1)c1ccc2OCOc2c1 |wU:7.10,4.3,(4.39,.82,;5.71,.06,;7.07,-.72,;4.95,-1.25,;3.38,-1.25,;2.62,-2.57,;1.1,-2.57,;.32,-1.21,;1.09,.1,;2.62,.06,;-1.24,-1.21,;-2.01,-2.54,;-3.54,-2.54,;-4.31,-1.2,;-3.54,.13,;-2.01,.1,;-5.86,-1.2,;-6.64,-2.53,;-8.18,-2.53,;-8.95,-1.18,;-8.16,.13,;-6.64,.13,;-5.86,1.48,;-6.63,2.82,;-6.63,4.36,;-7.97,3.59,;6.48,1.4,;5.71,2.72,;6.49,4.07,;8.04,4.07,;9.08,5.21,;10.49,4.57,;10.32,3.04,;8.8,2.72,;8.04,1.4,)|
BDBM50213518 CC(C)Oc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1 |wU:16.17,wD:19.24,(14.85,-7.42,;14.15,-8.79,;12.61,-8.86,;14.98,-10.08,;14.27,-11.45,;12.74,-11.52,;12.03,-12.89,;12.86,-14.19,;14.4,-14.12,;15.11,-12.75,;16.65,-12.69,;17.47,-13.99,;19,-13.92,;19.72,-12.56,;18.89,-11.26,;17.35,-11.32,;21.26,-12.5,;21.97,-11.14,;23.51,-11.08,;24.33,-12.39,;23.61,-13.75,;22.08,-13.81,;25.87,-12.33,;26.59,-10.97,;25.24,-10.23,;27.94,-11.71,;27.35,-9.62,;26.57,-8.3,;27.32,-6.96,;28.87,-6.94,;29.63,-5.6,;29.65,-8.28,;31.19,-8.26,;28.89,-9.62,)|
BDBM50213519 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCCF |wU:17.21,wD:14.14,(31.66,-22.48,;30.12,-22.47,;29.34,-23.8,;27.78,-23.8,;27.01,-25.15,;27.77,-26.47,;29.33,-26.47,;30.09,-25.15,;31.63,-25.16,;32.4,-26.5,;27,-27.82,;25.68,-27.05,;28.36,-28.59,;26.24,-29.13,;24.67,-29.13,;23.91,-27.82,;22.38,-27.77,;21.61,-29.09,;22.39,-30.44,;23.91,-30.44,;20.04,-29.09,;19.28,-30.42,;17.75,-30.42,;16.97,-29.08,;17.74,-27.74,;19.28,-27.77,;15.42,-29.08,;14.64,-30.41,;13.1,-30.41,;12.33,-29.06,;13.12,-27.74,;14.64,-27.74,;15.42,-26.4,;14.65,-25.06,;15.42,-23.73,;14.65,-22.4,)|
BDBM50213520 FC(F)Oc1cccc(c1)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(10.92,.29,;9.38,.29,;8.6,-1.03,;8.62,1.63,;7.08,1.64,;6.32,2.99,;4.76,2.99,;3.99,1.64,;4.75,.32,;6.32,.32,;3.98,-1.02,;2.66,-.26,;5.34,-1.8,;3.23,-2.33,;1.65,-2.33,;.89,-3.65,;-.63,-3.65,;-1.4,-2.3,;-.64,-.98,;.9,-1.02,;-2.97,-2.3,;-3.74,-3.62,;-5.27,-3.62,;-6.04,-2.28,;-5.27,-.95,;-3.73,-.98,;-7.59,-2.28,;-8.37,-3.62,;-9.91,-3.62,;-10.68,-2.27,;-9.89,-.95,;-8.37,-.95,;-7.59,.4,;-8.37,1.73,;-7.6,3.07,;-6.84,4.41,;-6.26,2.3,;-8.94,3.83,)|
BDBM50213521 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC(C)C |wU:17.21,14.14,(9.42,6.24,;7.88,6.23,;7.12,4.89,;5.57,4.87,;4.82,3.53,;5.6,2.21,;7.14,2.22,;7.9,3.56,;9.44,3.57,;10.22,2.24,;4.84,.87,;3.49,1.6,;6.19,.12,;4.12,-.5,;2.58,-.55,;1.86,-1.91,;.33,-1.97,;-.49,-.67,;.22,.69,;1.76,.75,;-2.03,-.73,;-2.75,-2.09,;-4.28,-2.16,;-5.11,-.86,;-4.4,.51,;-2.86,.57,;-6.64,-.92,;-7.36,-2.29,;-8.9,-2.36,;-9.72,-1.05,;-9.02,.31,;-7.48,.38,;-6.78,1.75,;-7.61,3.05,;-6.9,4.41,;-9.15,2.97,)|
BDBM50213527 FC(F)(F)COc1ccccc1C1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc2OCCOc2c1 |wU:18.19,wD:21.26,(18.05,-19.16,;17.29,-20.51,;18.63,-21.27,;15.95,-19.75,;16.52,-21.84,;17.3,-23.18,;16.52,-24.52,;15,-24.52,;14.21,-25.84,;14.98,-27.19,;16.52,-27.19,;17.3,-25.85,;18.85,-25.85,;19.62,-27.2,;21.15,-27.2,;21.92,-25.87,;21.16,-24.55,;19.62,-24.52,;23.49,-25.87,;24.25,-24.55,;25.78,-24.59,;26.54,-25.9,;25.78,-27.22,;24.26,-27.22,;28.12,-25.9,;28.87,-24.6,;27.55,-23.83,;30.23,-25.37,;29.64,-23.25,;28.88,-21.93,;29.65,-20.58,;31.21,-20.58,;31.99,-19.25,;33.53,-19.26,;34.29,-20.6,;33.51,-21.93,;31.96,-21.93,;31.2,-23.25,)|
BDBM50213528 CC(C)Oc1ccccc1C1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)c(F)c1 |wU:16.17,19.24,(-7.13,-7.52,;-7.84,-8.89,;-9.38,-8.96,;-7.01,-10.18,;-7.71,-11.55,;-9.25,-11.62,;-9.96,-12.99,;-9.13,-14.29,;-7.59,-14.22,;-6.88,-12.85,;-5.34,-12.79,;-4.51,-14.09,;-2.98,-14.02,;-2.26,-12.66,;-3.09,-11.36,;-4.63,-11.42,;-.73,-12.6,;.09,-13.91,;1.63,-13.85,;2.35,-12.49,;1.52,-11.18,;-.02,-11.24,;3.88,-12.43,;4.6,-11.07,;3.25,-10.33,;5.95,-11.81,;5.36,-9.72,;4.58,-8.4,;5.34,-7.06,;6.89,-7.04,;7.64,-5.7,;7.67,-8.38,;9.21,-8.36,;6.91,-9.72,)|
BDBM50213529 Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:15.19,12.12,(8.56,-46.34,;7.79,-45.01,;8.56,-43.69,;7.8,-42.34,;6.24,-42.34,;5.47,-41.01,;5.47,-43.69,;6.23,-45.01,;5.46,-46.35,;4.14,-45.59,;6.82,-47.13,;4.71,-47.66,;3.13,-47.66,;2.37,-48.98,;.85,-48.98,;.08,-47.63,;.84,-46.31,;2.37,-46.35,;-1.49,-47.63,;-2.26,-48.96,;-3.79,-48.96,;-4.56,-47.61,;-3.79,-46.28,;-2.26,-46.31,;-6.12,-47.61,;-6.89,-48.95,;-8.43,-48.95,;-9.2,-47.6,;-8.42,-46.28,;-6.89,-46.28,;-6.12,-44.93,;-6.89,-43.6,;-6.12,-42.27,;-5.36,-40.92,;-4.78,-43.03,;-7.46,-41.5,)|
BDBM50213530 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1cc(F)ccc1OC(C)C |wU:17.21,14.14,(10.23,-7.86,;8.69,-7.85,;7.91,-9.18,;6.36,-9.18,;5.59,-10.53,;6.35,-11.85,;7.91,-11.85,;8.67,-10.53,;10.21,-10.54,;10.97,-11.88,;5.58,-13.19,;4.26,-12.43,;6.94,-13.97,;4.82,-14.5,;3.25,-14.5,;2.49,-15.82,;.97,-15.82,;.19,-14.47,;.96,-13.15,;2.49,-13.19,;-1.38,-14.47,;-2.14,-15.8,;-3.67,-15.8,;-4.45,-14.45,;-3.67,-13.12,;-2.14,-13.15,;-6,-14.45,;-6.77,-15.79,;-8.31,-15.79,;-9.08,-17.12,;-9.08,-14.44,;-8.3,-13.12,;-6.77,-13.12,;-6,-11.77,;-6.77,-10.44,;-6,-9.11,;-8.31,-10.44,)|
BDBM50213531 FC(F)Oc1cccc(c1)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(34.74,.1,;33.2,.11,;32.43,-1.22,;32.44,1.45,;30.9,1.46,;30.15,2.81,;28.59,2.81,;27.82,1.46,;28.58,.13,;30.14,.13,;27.81,-1.21,;26.49,-.44,;29.17,-1.98,;27.05,-2.51,;25.48,-2.51,;24.72,-1.21,;23.19,-1.16,;22.42,-2.48,;23.2,-3.83,;24.72,-3.83,;20.86,-2.48,;20.09,-3.81,;18.56,-3.81,;17.79,-2.46,;18.56,-1.13,;20.09,-1.16,;16.23,-2.46,;15.46,-3.8,;13.92,-3.8,;13.15,-2.45,;13.93,-1.13,;15.46,-1.13,;16.23,.21,;15.46,1.55,;16.23,2.88,;16.99,4.22,;17.57,2.12,;14.89,3.64,)|
BDBM50213532 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccc(F)cc1OC(C)C |wU:17.21,14.14,(10.4,4.9,;8.86,4.91,;8.09,3.58,;6.53,3.58,;5.76,2.24,;6.52,.91,;8.08,.91,;8.84,2.23,;10.38,2.22,;11.14,.89,;5.75,-.43,;4.43,.33,;7.11,-1.21,;4.99,-1.74,;3.42,-1.74,;2.66,-3.06,;1.14,-3.06,;.36,-1.71,;1.13,-.39,;2.66,-.43,;-1.2,-1.71,;-1.97,-3.03,;-3.5,-3.03,;-4.27,-1.69,;-3.5,-.36,;-1.97,-.39,;-5.83,-1.69,;-6.6,-3.02,;-8.14,-3.02,;-8.91,-1.68,;-10.45,-1.66,;-8.13,-.36,;-6.6,-.36,;-5.83,.99,;-6.6,2.32,;-5.83,3.66,;-8.14,2.32,)|
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50219045 CC(C)C(=O)Nc1cc(ccc1C)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
BDBM50219047 CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
BDBM50219049 OC1(CCN(CCCC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
BDBM50219050 CC(C)C(=O)Nc1cccc(c1)C1CCN(Cc2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)CC1
BDBM50219053 CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(Cc2ccc(Oc3ccc(F)c(F)c3)cc2)CC1
BDBM50223563 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,wD:14.14,(32.39,2.57,;30.9,2.95,;29.83,1.85,;28.32,2.24,;27.24,1.13,;27.66,-.35,;29.16,-.74,;30.24,.36,;31.73,-.03,;32.14,-1.51,;26.57,-1.45,;25.37,-.49,;27.77,-2.42,;25.74,-2.75,;24.21,-2.68,;23.49,-1.32,;21.95,-1.25,;21.13,-2.55,;21.85,-3.91,;23.38,-3.98,;19.6,-2.48,;18.78,-3.78,;17.25,-3.72,;16.54,-2.36,;17.34,-1.06,;18.89,-1.12,;15,-2.3,;14.19,-3.61,;12.64,-3.55,;11.92,-2.18,;12.74,-.88,;14.29,-.95,;15.11,.35,;14.39,1.72,;15.21,3.02,;15.97,4.36,;16.53,2.23,;13.89,3.81,)|
BDBM50223564 CCN([C@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1 |wU:6.9,wD:3.2,(3.53,-33.38,;4.35,-32.08,;3.65,-30.72,;2.11,-30.65,;1.4,-29.28,;-.15,-29.21,;-.97,-30.51,;-.25,-31.88,;1.28,-31.94,;-2.49,-30.45,;-3.32,-31.75,;-4.85,-31.69,;-5.56,-30.33,;-4.76,-29.02,;-3.21,-29.08,;-7.1,-30.27,;-7.91,-31.57,;-9.46,-31.52,;-10.18,-30.15,;-9.36,-28.85,;-7.81,-28.91,;-6.99,-27.61,;-7.71,-26.25,;-6.89,-24.95,;-9.25,-26.19,;4.47,-29.42,;3.27,-28.46,;5.67,-30.38,;5.56,-28.31,;5.14,-26.83,;6.22,-25.73,;7.73,-26.11,;8.81,-25.01,;10.3,-25.4,;8.14,-27.61,;9.63,-27.99,;10.04,-29.47,;7.06,-28.71,)|
BDBM50223565 COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(32.39,2.57,;30.9,2.95,;29.83,1.85,;28.32,2.24,;27.24,1.13,;27.66,-.35,;29.16,-.74,;30.24,.36,;31.73,-.03,;32.14,-1.51,;26.57,-1.45,;25.37,-.49,;27.77,-2.42,;25.74,-2.75,;24.21,-2.68,;23.38,-3.98,;21.85,-3.91,;21.13,-2.55,;21.95,-1.25,;23.49,-1.32,;19.6,-2.48,;18.78,-3.78,;17.25,-3.72,;16.54,-2.36,;17.34,-1.06,;18.89,-1.12,;15,-2.3,;14.19,-3.61,;12.64,-3.55,;11.92,-2.18,;12.74,-.88,;14.29,-.95,;15.11,.35,;14.39,1.72,;15.21,3.02,;15.97,4.36,;16.53,2.23,;13.89,3.81,)|
BDBM50223566 CCN([C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C)S(=O)(=O)c1ccc(OC)c(OC)c1 |wU:6.9,3.2,(3.53,-33.38,;4.35,-32.08,;3.65,-30.72,;2.11,-30.65,;1.28,-31.94,;-.25,-31.88,;-.97,-30.51,;-.15,-29.21,;1.4,-29.28,;-2.49,-30.45,;-3.32,-31.75,;-4.85,-31.69,;-5.56,-30.33,;-4.76,-29.02,;-3.21,-29.08,;-7.1,-30.27,;-7.91,-31.57,;-9.46,-31.52,;-10.18,-30.15,;-9.36,-28.85,;-7.81,-28.91,;-6.99,-27.61,;-7.71,-26.25,;-6.89,-24.95,;-9.25,-26.19,;4.47,-29.42,;3.27,-28.46,;5.67,-30.38,;5.56,-28.31,;5.14,-26.83,;6.22,-25.73,;7.73,-26.11,;8.81,-25.01,;10.3,-25.4,;8.14,-27.61,;9.63,-27.99,;10.04,-29.47,;7.06,-28.71,)|
BDBM50226008 CCCN1CCO[C@@H](C1)c1cccc(O)c1
BDBM50238822 C1Cc2ccccc2C1c1ncc[nH]1
BDBM50231437 O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1 |w:3.2|
BDBM50231438 O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:11.11|
BDBM50231439 Cc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50231440 O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50231441 CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:5.4|
BDBM50231442 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)C1CC1 |w:3.2|
BDBM50231443 CCCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:6.5|
BDBM50231444 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccco1 |w:3.2|
BDBM50231445 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1 |w:3.2|
BDBM50231446 O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)c1cccnc1 |w:3.2|
BDBM50231447 CC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:4.3|
BDBM50231448 CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:5.4|
BDBM50231449 FC(F)(F)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:7.6|
BDBM50231450 Fc1ccc(cc1)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:10.10|
BDBM50231451 CCCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:6.5|
BDBM50231452 Clc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50231453 NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:1.0|
BDBM50231454 FC(F)(F)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:7.6|
BDBM50231455 Fc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:10.10|
BDBM50231456 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1cccnc1 |w:3.2|
BDBM50231457 CC(C)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:6.5|
BDBM50231458 O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccccc1 |w:3.2|
BDBM50231459 CC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 |w:4.3|
BDBM50231460 CC(C)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 |w:6.5|
BDBM50238834 Clc1ccc2C(CCc2c1-c1cn[nH]c1)c1ncc[nH]1
BDBM50238839 CS(=O)(=O)Nc1c(Cl)ccc2C(CCCc12)c1ncc[nH]1
BDBM50241196 C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
BDBM50236898 N[C@H]1C[C@@H]1c1ccccc1 |r|
BDBM50240772 N[C@@H]1C[C@H]1c1ccccc1 |r|
BDBM50232153 COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
BDBM50240797 CCCN(CCC)C1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1
BDBM50252513 Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50258590 CS(=O)(=O)Nc1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258591 CNS(=O)(=O)CCc1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258592 CNC(=O)c1cccc(c1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258593 Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cncnc1
BDBM50258594 Fc1ccc(-c2cncnc2)c(c1)C1Cc2nccn2C1
BDBM50258418 CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1ccnn1
BDBM50258419 CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1cncn1
BDBM50258420 CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccc(F)c(F)c1)n1cnnn1
BDBM50256566 Cc1noc(Cc2cccc3[C@@H](CCc23)c2ncc[nH]2)n1 |r|
BDBM50259533 COc1ccc(cc1)C1Cc2nccn2C1
BDBM50259534 Fc1ccccc1C1Cc2nccn2C1
BDBM50259535 FC(F)Oc1ccccc1C1Cc2nccn2C1
BDBM50259536 NC(=O)c1ccccc1C1Cc2nccn2C1
BDBM50259537 N#Cc1ccccc1C1Cc2nccn2C1
BDBM50259538 COCc1ccccc1C1Cc2nccn2C1
BDBM50258448 CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(N1CCCC1)c1ccc(F)c(F)c1
BDBM50258449 CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(N1CCCC1=O)c1ccc(F)c(F)c1
BDBM50258450 CN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
BDBM50259381 C1C(Cn2ccnc12)c1ccccc1
BDBM50259382 C1Cc2nccn2CC1c1ccccc1
BDBM50256507 FC(F)(F)CNCc1cccc2C(CCc12)c1ncc[nH]1
BDBM50259332 C1C(Cc2ccccc12)c1ncc[nH]1
BDBM50259333 C1Cc2nc[nH]c2CC1c1ccccc1
BDBM50259383 Clc1ccccc1C1CCc2nc[nH]c2C1
BDBM50259384 Clc1cccc(c1)C1CCc2nc[nH]c2C1
BDBM50259385 Clc1ccc(cc1)C1CCc2nc[nH]c2C1
BDBM50259386 COc1ccccc1C1CCc2nc[nH]c2C1
BDBM50259387 COc1cccc(c1)C1CCc2nc[nH]c2C1
BDBM50258517 N#Cc1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50256508 FC1(F)CN(Cc2cccc3C(CCc23)c2ncc[nH]2)C1
BDBM50256614 Fc1ccn(Cc2cccc3C(CCc23)c2ncc[nH]2)n1
BDBM50256615 Fc1ccn(Cc2c3CC[C@@H](c4ncc[nH]4)c3ccc2F)n1 |r|
BDBM50258518 C1[C@H](Cn2ccnc12)c1ccccc1-c1ccccc1 |r|
BDBM50258638 Fc1cccc(-c2cncnc2)c1C1Cc2nccn2C1
BDBM50259484 COc1ccc(cc1)C1CCc2nc[nH]c2C1
BDBM50259485 COCc1ccccc1C1CCc2nc[nH]c2C1
BDBM50259486 Clc1ccccc1C1Cc2nccn2C1
BDBM50259487 Clc1ccc(cc1)C1Cc2nccn2C1
BDBM50259488 COc1ccccc1C1Cc2nccn2C1
BDBM50259489 COc1cccc(c1)C1Cc2nccn2C1
BDBM50258477 CCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
BDBM50258478 FCCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
BDBM50258274 Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(F)c(F)c1
BDBM50258275 CN(CCCN1CCC2(CCc3ccccc23)CC1)C(=O)N(c1ccc(C)cc1)c1ccc(F)c(F)c1
BDBM50258276 CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)N(c1ccc(C)cc1)c1ccc(F)c(F)c1
BDBM50258277 CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)N(c1ccccc1)c1ccc(F)c(F)c1
BDBM50258315 CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccccc1)c1ccc(F)c(F)c1
BDBM50258842 Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(F)cc1
BDBM50258843 Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1ccc(C)cc1
BDBM50258844 Cc1ccc(cc1)N(C(=O)NCCCN1CCC2(CCc3ccccc23)CC1)c1cccc(F)c1
BDBM50242259 [#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|
BDBM50256503 CS(=O)(=O)Cc1cccc2C(CCc12)c1ncc[nH]1
BDBM50256504 COCc1cccc2[C@@H](CCc12)c1ncc[nH]1 |r|
BDBM50256505 CCOCc1cccc2C(CCc12)c1ncc[nH]1
BDBM50256506 COCCc1cccc2C(CCc12)c1ncc[nH]1
BDBM50256560 COCc1c2CC[C@@H](c3ncc[nH]3)c2ccc1F |r|
BDBM50256561 COCc1cc(F)cc2C(CCc12)c1ncc[nH]1
BDBM50256562 COCc1ccc(F)c2C(CCc12)c1ncc[nH]1
BDBM50258559 C1[C@H](Cn2ccnc12)c1ccccc1-c1cncnc1 |r|
BDBM50258560 C1[C@H](Cn2ccnc12)c1ccccc1-c1ncco1 |r|
BDBM50258561 C1[C@@H](Cn2ccnc12)c1ccccc1-c1ncco1 |r|
BDBM50256563 COCc1c2CC[C@@H](c3ncc[nH]3)c2ccc1Cl |r|
BDBM50256564 C(c1cccc2[C@@H](CCc12)c1ncc[nH]1)n1cccn1 |r|
BDBM50256565 C(c1cccc2C(CCc12)c1ncc[nH]1)n1ccnn1
BDBM50258562 C1[C@H](Cn2ccnc12)c1ccccc1-c1nccs1 |r|
BDBM50258563 C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1 |r|
BDBM50258564 C1[C@H](Cn2ccnc12)c1ccccc1-c1ccncc1 |r|
BDBM50258565 Cn1cc(cn1)-c1ccccc1[C@@H]1Cc2nccn2C1 |r|
BDBM50258589 C1[C@H](Cn2ccnc12)c1ccccc1-n1cccn1 |r|
BDBM50258639 Fc1ccc(C2Cc3nccn3C2)c(c1)-c1ncco1
BDBM50258640 Fc1ccc(-c2ncco2)c(c1)C1Cc2nccn2C1
BDBM50258641 Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cc[nH]n1
BDBM50258642 Fc1ccc(-c2cc[nH]n2)c(c1)C1Cc2nccn2C1
BDBM50258643 Fc1ccc(c(c1)C1Cc2nccn2C1)-n1cccn1
BDBM50258644 Fc1ccc(C2Cc3nccn3C2)c(c1)-n1cccn1
BDBM50254790 NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
BDBM50253754 CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
BDBM50246331 Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
BDBM50246332 COc1cccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c12
BDBM50246333 COc1ccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c2c1
BDBM50246334 COc1ccc2c(c1)nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
BDBM50246240 Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
BDBM50246241 Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
BDBM50246242 CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
BDBM50246243 CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
BDBM50246244 CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
BDBM50246287 O=c1n(Cc2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
BDBM50246288 O=c1n(-c2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
BDBM50246289 Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
BDBM50246290 Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
BDBM50246380 COc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
BDBM50246381 Cc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
BDBM50246382 Cn1c(nc2c(Cl)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
BDBM50246383 Cn1c(nc2c(cccc2c1=O)C(F)(F)F)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
BDBM50246598 CC(C)(N)Cc1ccccc1
BDBM50246434 Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
BDBM50246435 COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
BDBM50267507 COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |r|
BDBM50267508 COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
BDBM50280055 CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
BDBM50271706 COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
BDBM50287718 Brc1ccc2c(c[nH]c2c1)-c1nc(c[nH]1)-c1c[nH]c2ccccc12
BDBM50287719 Brc1ccc2c(c[nH]c2c1)-c1c[nH]c(n1)-c1c[nH]c2ccccc12
BDBM50287720 CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12
BDBM50287721 Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2ccccc12
BDBM50287722 Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12
BDBM50287723 Brc1ccc2c(c[nH]c2c1)-c1c[nH]c(n1)-c1c[nH]c2cc(Br)ccc12
BDBM50304075 CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50302533 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]=[#6]-c1ccc2-[#8]-[#6@@H](-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c2c1)-c1ccc(-[#8])cc1 |r,w:12.12|
BDBM50302534 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]=[#6]-c1ccc2-[#8]-[#6@H](-[#6@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c2c1)-c1ccc(-[#8])cc1 |r,w:12.12|
BDBM50302535 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]=[#6]-c1ccc2-[#8]-[#6@H](-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c2c1)-c1ccc(-[#8])cc1 |r,w:12.12|
BDBM50302536 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]=[#6]-c1ccc2-[#8]-[#6@@H](-[#6@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c2c1)-c1ccc(-[#8])cc1 |r,w:12.12|
BDBM50302537 [#6]-[#8]-[#6](=O)-[#6@@H]-1-[#6@H](-[#8]-c2ccc(-[#6]=[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc-12)-c1ccc(-[#8])cc1 |r,w:11.10|
BDBM50302538 [#6]-[#8]-[#6](=O)-[#6@H]-1-[#6@@H](-[#8]-c2ccc(-[#6]=[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc-12)-c1ccc(-[#8])cc1 |r,w:11.10|
BDBM50302539 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6@H](-[#8]-c2ccc(-[#6]=[#6]-[#6](-[#8])=O)cc-12)-c1ccc(-[#8])cc1 |r,w:18.17|
BDBM50302540 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#6@@H](-[#8]-c2ccc(-[#6]=[#6]-[#6](-[#8])=O)cc-12)-c1ccc(-[#8])cc1 |r,w:18.17|
BDBM50302541 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]=[#6]-c1ccc(-[#8])cc1 |w:12.12|
BDBM50302568 CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C |r,wU:10.10,7.6,(-4.66,-23.98,;-5.99,-24.76,;-7.33,-23.99,;-5.98,-26.3,;-4.65,-27.06,;-4.64,-28.61,;-3.31,-29.38,;-1.98,-28.61,;-.65,-29.38,;.68,-28.62,;.69,-27.08,;2.02,-26.31,;3.36,-27.08,;4.69,-26.32,;4.7,-24.78,;6.02,-27.09,;7.35,-26.32,;8.69,-27.09,;8.69,-28.63,;7.36,-29.4,;6.03,-28.62,;7.35,-30.94,;6.01,-31.7,;8.68,-31.72,;5.86,-30.53,;10.03,-26.32,;11.36,-27.09,;10.03,-24.78,;10.43,-27.81,;-.65,-26.31,;-1.99,-27.07,;-5.98,-29.38,;-7.32,-28.61,;-7.31,-27.07,;-8.65,-26.3,)|
BDBM50302547 CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)n1 |r,wU:13.16,10.9,(29.59,5.32,;28.26,4.54,;26.92,5.31,;28.26,3,;26.93,2.23,;26.93,.69,;25.6,-.08,;28.26,-.08,;29.6,.69,;30.94,-.08,;32.27,.69,;33.6,-.09,;34.93,.68,;34.93,2.22,;33.6,2.99,;32.26,2.22,;36.27,2.99,;37.6,2.21,;37.6,.67,;38.94,2.98,;40.26,2.2,;41.6,2.97,;41.6,4.51,;42.94,5.28,;40.26,5.28,;38.93,4.51,;29.6,2.24,)|
BDBM50302553 CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)n1 |r,wU:13.16,10.9,(28.39,-11.98,;27.06,-12.75,;25.72,-11.99,;27.06,-14.29,;25.73,-15.07,;25.73,-16.61,;24.4,-17.38,;27.07,-17.38,;28.4,-16.61,;29.74,-17.38,;31.07,-16.6,;32.4,-17.38,;33.73,-16.62,;33.74,-15.08,;32.4,-14.31,;31.06,-15.07,;35.07,-14.31,;36.4,-15.08,;36.4,-16.62,;37.74,-14.32,;37.73,-12.78,;39.06,-12.01,;40.4,-12.79,;41.74,-12.02,;40.4,-14.33,;41.73,-15.1,;39.07,-15.09,;28.4,-15.06,)|
BDBM50302554 CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1 |r,wU:13.16,10.9,(-7.5,-21.66,;-8.83,-22.43,;-10.16,-21.66,;-8.82,-23.97,;-10.15,-24.74,;-10.15,-26.29,;-11.5,-27.05,;-8.82,-27.06,;-7.48,-26.28,;-6.15,-27.05,;-4.82,-26.28,;-3.48,-27.06,;-2.16,-26.29,;-2.15,-24.75,;-3.48,-23.98,;-4.82,-24.75,;-.81,-23.99,;.52,-24.76,;.51,-26.3,;1.85,-23.99,;3.18,-24.77,;4.51,-24,;4.52,-22.46,;3.18,-21.69,;1.85,-22.46,;3.17,-20.15,;4.51,-19.38,;1.84,-19.38,;4.66,-20.55,;5.84,-24.78,;5.84,-26.32,;7.18,-24.01,;4.75,-25.86,;-7.49,-24.73,)|
BDBM50302555 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C |r,wU:10.13,7.6,(12.45,-21.86,;11.11,-22.63,;9.78,-21.87,;11.12,-24.17,;12.45,-24.94,;12.46,-26.49,;13.79,-27.25,;15.13,-26.48,;16.46,-27.26,;17.79,-26.5,;17.79,-24.95,;16.46,-24.18,;15.12,-24.95,;19.13,-24.19,;20.46,-24.96,;20.46,-26.5,;21.8,-24.19,;21.79,-22.66,;23.12,-21.89,;24.46,-22.66,;24.46,-24.21,;25.79,-24.98,;23.12,-24.97,;11.12,-27.26,;9.79,-26.49,;9.79,-24.94,;8.46,-24.17,)|
BDBM50302556 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(C)cc2)ncc1C |r,wU:10.13,7.6,(30.97,-21.81,;29.64,-22.58,;28.3,-21.82,;29.64,-24.12,;30.98,-24.89,;30.98,-26.44,;32.32,-27.21,;33.65,-26.43,;34.98,-27.21,;36.31,-26.45,;36.32,-24.91,;34.98,-24.13,;33.64,-24.9,;37.65,-24.14,;38.98,-24.91,;38.98,-26.45,;40.32,-24.15,;41.64,-24.92,;42.98,-24.16,;42.98,-22.62,;44.32,-21.85,;41.64,-21.84,;40.31,-22.61,;29.65,-27.21,;28.31,-26.44,;28.31,-24.89,;26.98,-24.13,)|
BDBM50302557 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)cc2)ncc1C |r,wU:10.13,7.6,(-7.01,-30.72,;-8.34,-31.5,;-9.67,-30.73,;-8.33,-33.04,;-7,-33.8,;-6.99,-35.35,;-5.66,-36.12,;-4.33,-35.35,;-2.99,-36.13,;-1.67,-35.36,;-1.66,-33.82,;-2.99,-33.05,;-4.33,-33.82,;-.32,-33.05,;1.01,-33.83,;1,-35.37,;2.34,-33.06,;3.67,-33.84,;5,-33.07,;5.01,-31.53,;6.34,-30.76,;3.67,-30.76,;2.34,-31.53,;-8.33,-36.12,;-9.66,-35.35,;-9.66,-33.81,;-11,-33.04,)|
BDBM50302558 CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)cc2)ncc1C |r,wU:10.13,7.6,(10.35,-30.66,;9.02,-31.44,;7.69,-30.67,;9.03,-32.98,;10.36,-33.74,;10.37,-35.29,;11.7,-36.06,;13.03,-35.29,;14.37,-36.07,;15.69,-35.3,;15.7,-33.76,;14.37,-32.99,;13.03,-33.76,;17.04,-32.99,;18.37,-33.77,;18.36,-35.31,;19.7,-33,;21.03,-33.78,;22.36,-33.01,;22.37,-31.47,;23.7,-30.7,;21.03,-30.7,;19.7,-31.47,;9.03,-36.06,;7.7,-35.29,;7.7,-33.75,;6.36,-32.98,)|
BDBM50302564 CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3ccc(F)c(F)c3)CC2)ncc1C |r,wU:7.6,10.10,(-5.16,-5.44,;-6.49,-6.21,;-7.82,-5.45,;-6.48,-7.75,;-5.15,-8.52,;-5.14,-10.07,;-3.81,-10.84,;-2.47,-10.06,;-1.14,-10.84,;.19,-10.08,;.19,-8.54,;1.53,-7.77,;2.86,-8.54,;4.19,-7.77,;4.2,-6.23,;5.53,-8.55,;5.53,-10.08,;6.86,-10.86,;8.19,-10.09,;9.52,-10.87,;8.2,-8.55,;9.53,-7.78,;6.85,-7.78,;-1.14,-7.76,;-2.48,-8.53,;-6.48,-10.84,;-7.81,-10.07,;-7.81,-8.52,;-9.15,-7.75,)|
BDBM50299208 Cc1ccc(cc1)N1CCN(CCCn2nc(C)c(C=C)c(N)c2=O)CC1
BDBM50311786 CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
BDBM50327860 CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
BDBM50327861 CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
BDBM50327863 CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
BDBM50321778 CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(Cc3ccccc3)CC2)O1 |r|
BDBM50321779 CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC(C)C)CC2)O1 |r|
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50323401 COc1cccc(F)c1OC1CN(Cc2cnn(c2C)-c2ccccc2)C1
BDBM50325742 Cc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1C
BDBM50325743 COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1
BDBM50325744 Clc1cccc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)c1Cl
BDBM50325745 FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2ccc3ccccc3n2)CC1
BDBM50325746 COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1
BDBM50325747 Clc1cccc(N2CCN(CCCCNc3nccc4ccccc34)CC2)c1Cl
BDBM50325748 FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nccc3ccccc23)CC1
BDBM50325749 Fc1ccccc1N1CCN(CCCCNc2ccc(cn2)-c2ccccc2)CC1
BDBM50325750 Clc1cccc(N2CCN(CCCCNc3ccc(cn3)-c3ccccc3)CC2)c1Cl
BDBM50325751 FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2ccc(cn2)-c2ccccc2)CC1
BDBM50325752 Fc1ccccc1N1CCN(CCCCNc2cc(ccn2)-c2ccccc2)CC1
BDBM50325753 Clc1cccc(N2CCN(CCCCNc3cc(ccn3)-c3ccccc3)CC2)c1Cl
BDBM50325754 FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2cc(ccn2)-c2ccccc2)CC1
BDBM50325755 FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2ncc(o2)-c2ccccc2)CC1
BDBM50325756 FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2nc(cs2)-c2ccccc2)CC1
BDBM50325757 COc1ccccc1N1CCN(CCCCNc2ccccn2)CC1
BDBM50325758 Clc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1Cl
BDBM50325759 FC(F)(F)c1cccc(c1)N1CCN(CCCCNc2ccccn2)CC1
BDBM50325760 Fc1ccccc1N1CCN(CCCCNc2ccccn2)CC1
BDBM50325761 Cc1ccccc1N1CCN(CCCCNc2ccccn2)CC1
BDBM50326197 Cn1c2nc(=O)n(C)c(N)c2[nH]c1=O
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50325822 Oc1ccc2[C@@H]3CNCC[C@H]3[C@@H](Cc2c1O)c1ccccc1 |r|
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50341447 Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
BDBM50341448 CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
BDBM50334150 Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
BDBM50333880 Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
BDBM50343890 COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(-6.86,-9.06,;-6.09,-10.39,;-6.85,-11.73,;-8.4,-11.74,;-9.16,-13.07,;-8.38,-14.4,;-6.84,-14.4,;-6.07,-13.06,;-4.53,-13.06,;-3.77,-14.39,;-2.23,-14.39,;-1.46,-13.06,;.08,-13.06,;.85,-11.73,;2.39,-11.73,;3.16,-10.4,;4.7,-10.4,;2.39,-9.07,;.46,-8.94,;.71,-7.01,;2.65,-7.12,;2.13,-6.61,;1.89,-8.55,;-.05,-8.43,;.21,-6.48,;-.77,-5.3,;3.16,-13.07,;4.68,-13.06,;5.45,-14.4,;4.67,-15.73,;3.14,-15.72,;2.37,-14.39,;-2.23,-11.73,;-3.78,-11.73,)|
BDBM50343894 Oc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52I)c2ccccn2)CC1 |(16.06,-35.05,;15.3,-36.38,;13.75,-36.39,;12.99,-37.73,;13.77,-39.05,;15.31,-39.05,;16.08,-37.72,;17.61,-37.71,;18.38,-39.05,;19.91,-39.05,;20.69,-37.72,;22.22,-37.72,;22.99,-36.39,;24.53,-36.39,;25.3,-35.06,;26.84,-35.06,;24.54,-33.72,;22.6,-33.6,;22.86,-31.67,;24.8,-31.78,;24.28,-31.26,;24.04,-33.21,;22.1,-33.08,;22.36,-31.14,;21.37,-29.96,;25.3,-37.72,;26.83,-37.71,;27.6,-39.06,;26.82,-40.39,;25.28,-40.38,;24.52,-39.05,;19.91,-36.38,;18.37,-36.38,)|
BDBM50335253 OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
BDBM50352152 Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
BDBM50346422 OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
BDBM50353612 COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1
BDBM50353615 COC1Cc2c(cnn2-c2ccccc2)C2(CCN(CCC(C)C)CC2)O1
BDBM50353617 CCCCCCCCN1CCC2(CC1)OC(Cc1c2cnn1-c1ccccc1)OC
BDBM50354492 Clc1ccc(cc1)N1CCN(CCCCC2C(=O)Nc3ccccc23)CC1 |w:15.15|
BDBM50354493 CCC1(CCCCN2CCN(CC2)c2ccc(Cl)cc2)C(=O)Nc2cc(F)ccc12 |w:2.1|
BDBM50354525 Fc1ccc2NC(=O)C(CCCCN3CCN(CC3)c3ccccc3)c2c1 |w:8.8|
BDBM50348759 CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(OC(=O)CCCCC2CCSS2)c-31 |r|
BDBM50359746 COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
BDBM50359747 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
BDBM50359748 COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
BDBM50359749 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
BDBM50359750 CCOCCOc1ccn2ncc(C(=O)NCCCN3CCN(CC3)c3ccccc3OC)c2c1
BDBM50359751 CCOCCOc1ccn2ncc(C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)c2c1
BDBM50359752 CCOCCOCc1ccn2ncc(C(=O)NCCCN3CCN(CC3)c3ccccc3OC)c2c1
BDBM50359753 CCOCCOCc1ccn2ncc(C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)c2c1
BDBM50359754 COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1
BDBM50359755 COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(OCCOCCOCCOCCOc4ccn5ncc(C(=O)NCCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1
BDBM50359756 COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1
BDBM50359757 COc1ccccc1N1CCN(CCCCNC(=O)c2cnn3ccc(COCCOCCOCCOCCOCc4ccn5ncc(C(=O)NCCCCN6CCN(CC6)c6ccccc6OC)c5c4)cc23)CC1
BDBM50359758 CCOCCOCc1ccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)c(OC)c1
BDBM50359759 COc1cc(COCCOCCOCCOCCOCc2ccc(N3CCN(CCCCNC(=O)c4ccccc4)CC3)c(OC)c2)ccc1N1CCN(CCCCNC(=O)c2ccccc2)CC1
BDBM50359760 CCOCCOc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
BDBM50359761 CCOCCOc1cccc(c1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
BDBM50359762 COc1ccccc1N1CCN(CCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(c3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)c2)CC1
BDBM50359763 COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(OCCOCCOCCOCCOc3cccc(c3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)c2)CC1
BDBM50359764 CCOCCOCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC
BDBM50359765 CCOCCOCc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
BDBM50359742 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
BDBM50359743 COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
BDBM50359744 COc1ccccc1N1CCN(CCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
BDBM50359745 COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(COCCOCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
BDBM50356604 COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)C3)c2ccccn2)CC1
BDBM50356605 COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(35.86,-1.26,;36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)|
BDBM50356606 COc1ccccc1N1CCN(CCN(C(=O)C23CCC(CF)(CC2)CC3)c2ccccn2)CC1
BDBM50350021 C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50366647 COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
BDBM50366618 COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
BDBM50377396 C1CC(c2ncc[nH]2)c2ccccc2C1 |w:2.2|
BDBM50377397 Clc1ccc2C(CCc2c1-c1cc[nH]n1)c1ncc[nH]1
BDBM50377398 Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O |t:5|
BDBM50377399 Cc1oncc1-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377400 C1Cc2c(cccc2-c2nccs2)C1c1ncc[nH]1 |w:13.16|
BDBM50377401 C1Cc2c(cccc2-c2ncco2)C1c1ncc[nH]1 |w:13.16|
BDBM50377402 C1Cc2c(cccc2-c2cccnc2)C1c1ncc[nH]1 |w:14.17|
BDBM50377403 C1Cc2c(cccc2-c2ccccn2)C1c1ncc[nH]1 |w:14.17|
BDBM50377404 Cn1ccc(n1)-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377405 Cn1cc(cn1)-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377406 Cc1ccc2C(CCc2c1NS(C)(=O)=O)c1ncc[nH]1 |w:5.16|
BDBM50377407 CCCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:12.17|
BDBM50377408 COc1c2CCC(c3ncc[nH]3)c2ccc1Cl |w:6.6|
BDBM50377386 Cn1nccc1-c1cccc2C(CCc12)c1ncc[nH]1 |w:11.17|
BDBM50377387 Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
BDBM50377388 C1Cc2c(cccc2-c2cn[nH]c2)C1c1ncc[nH]1 |w:13.16|
BDBM50377389 C1Cc2c(cccc2-c2cc[nH]n2)C1c1ncc[nH]1
BDBM50378584 COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |r|
BDBM50377390 COc1c2CCC(c3ncc[nH]3)c2ccc1C |w:6.6|
BDBM50377391 COc1cccc2C(CCc12)c1ncc[nH]1 |w:7.12|
BDBM50377392 CNC(=O)c1cccc2C(CCc12)c1ncc[nH]1 |w:9.14|
BDBM50377393 CS(=O)(=O)Nc1cccc2C(CCCc12)c1ncc[nH]1 |w:10.16|
BDBM50377394 CCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:11.16|
BDBM50377395 CS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1 |w:10.15|
BDBM50379819 C1CC(CCN1)c1c[nH]c2ccccc12
BDBM50369382 COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1 |r,c:16,22|
BDBM50369383 COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1 |r,c:16|
BDBM50368604 [H]C12CN3C[C@]1(NC(=O)c1cc(Cl)c(N)cc1OC)C2CC3 |r|
BDBM50367952 CNCC(c1ccc(OC)cc1)C1(O)CCCCC1
BDBM50392637 COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
BDBM50392638 COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 |r|
BDBM50392639 COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 |r|
BDBM50392640 COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(O)c2O1 |r|
BDBM50392641 COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r|
BDBM50392642 COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(OC)c2O1 |r|
BDBM50392643 COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r|
BDBM50392644 COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 |r|
BDBM50392645 COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r|
BDBM50392646 COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 |r|
BDBM50392647 COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 |r|
BDBM50392648 COc1cccc(OC)c1OCCNC[C@@H]1COc2c(OC)cccc2O1 |r|
BDBM50393116 COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
BDBM50391696 Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccncc23)cc1 |r|
BDBM50391697 CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
BDBM50391698 COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
BDBM50391699 CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
BDBM50391700 CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
BDBM50391701 COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cccnc2c1=O |r|
BDBM50391702 CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
BDBM50391703 CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
BDBM50391704 COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ncccc2c1=O |r|
BDBM50391705 CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O |r|
BDBM50391706 CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccncc2c1=O |r|
BDBM50391707 CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O |r|
BDBM50391708 CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
BDBM50391709 CCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
BDBM50391710 COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
BDBM50395206 O=C(C1CCCCC1)N(CCN1CCC(=CC1)c1ccccc1)c1ccccn1 |c:15|
BDBM50395207 O=C(C1CCCCC1)N(CCN1CCN(CC1)c1ccccc1)c1ccccn1
BDBM50396184 CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1 |r,t:8,10,TLB:51:32:29:39.34.35,THB:51:32:29.30.39:35,33:32:29:39.34.35,31:32:29.30.39:35|
BDBM50408667 COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CN(C)C)o1
BDBM50408668 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN)c1
BDBM50408669 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CN(C)C
BDBM50408670 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN2CCSC2)cc1
BDBM50408671 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1
BDBM50408672 CNCCCCCCN(C)Cc1cccc(c1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50408673 COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccc(CCl)o1
BDBM50408674 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CCl)cc1
BDBM50408675 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CCl)o1
BDBM50408676 CNCCCCCCN(C)Cc1ccc(cc1)C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50408677 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CNCCCCCCN
BDBM50407712 COC(=O)c1c(no[n+]1[O-])C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50407713 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1no[n+]([O-])c1C#N
BDBM50407714 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1no[n+]([O-])c1-c1ccccc1
BDBM50408678 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN(C)C)cc1
BDBM50408679 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CN(C)C)o1
BDBM50408680 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CCl
BDBM50408681 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CCl)c1
BDBM50408682 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN2CCSC2)c1
BDBM50408683 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CN(C)C)c1
BDBM50407715 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1nonc1-c1ccccc1
BDBM50407716 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1no[n+]([O-])c1C(N)=O
BDBM50407517 CC(C)NC[C@H](O)c1ccc(O)c(O)c1
BDBM50007666 [H][C@]12CCN(CCCC(=O)c3ccc(F)cc3)C[C@@]1([H])c1cccc3OCCN2c13 |r|
BDBM50407717 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)S(=O)(=O)c1no[n+]([O-])c1/C1=C/C=C\C=C/C=C\1 |c:36,38,40,t:34|
BDBM50406463 [#6]\[#6](=[#7]/[#8]-[#6]-[#6](-[#8])-[#6]-[#7]C([#6])([#6])[#6])-c1cc(Cl)c(\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)c(Cl)c1
BDBM50406464 [#6]C([#6])([#6])[#7]-[#6]-[#6](-[#8])-[#6]-[#8]-c1cc(Cl)c(\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)c(Cl)c1
BDBM50406465 CC(Oc1c(Cl)cc(cc1Cl)C(\C)=N\OCC(O)CNC(C)(C)C)C1=NCCN1 |t:25|
BDBM50401362 COc1ccccc1CCN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:11:22:13.14:20,16:18:13.14:20,THB:12:13:22.18:20,21:22:12.15:10,13:12:22.18:10,15:14:22.18:20,19:18:12.15:10,14:15:22.18:10,9:10:12.15:22.18|
BDBM50401363 COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|
BDBM50401367 OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccc2OCOc2c1 |TLB:6:7:4.3:9,8:7:5.2:12,4:5:7.11:12,1:11:4.3:9,10:11:5.2:12,3:2:7.11:12,THB:5:4:7.11:9,2:3:7.11:9,13:12:5.2:7.11|
BDBM50401375 COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
BDBM50401383 COc1cccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|
BDBM50401384 COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|
BDBM50400888 COc1ccc(Sc2ccc(C)cc2N2CCNCC2)cc1
BDBM50403957 CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403962 CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
BDBM50403974 CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccccc21
BDBM50403975 CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21
BDBM50403976 CN(C)CC1CC2N(O1)c1cc(F)ccc1Cc1ccc(F)cc21
BDBM50403978 CN(C)CC1CC2N(O1)c1cc(C)ccc1Cc1ccccc21
BDBM50403647 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccco1
BDBM50403649 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
BDBM50403651 COc1cc2nc(nc(N)c2cc1OC)N(C)CCSSCCN(C)C(=O)c1ccco1
BDBM50403737 Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1
BDBM50403738 Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403739 Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403740 Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403742 Cc1ccn2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
BDBM50403743 COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC
BDBM50403744 Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403745 COc1cccn2c1nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
BDBM50403746 Cc1nc2c(Cl)cc(cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1)C(F)(F)F
BDBM50403747 Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403748 Cc1cc(C)n2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
BDBM50403749 Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1
BDBM50403750 Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403751 O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12
BDBM50403752 Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1
BDBM50403753 Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50403754 Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1
BDBM50403755 Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1
BDBM50409687 COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1=O
BDBM50409688 COc1cccc(OC)c1OCCNCC1CC(c2ccccc2)c2ccccc2C1
BDBM50409689 COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1
BDBM50409690 COc1cccc(OC)c1OCCNC[C@@H]1C[C@H](c2ccccc2)c2ccccc2O1
BDBM50409691 COc1cccc(OC)c1OCCNCCOc1ccccc1Cc1ccccc1
BDBM50409692 COc1cccc(OC)c1OCCNC[C@H]1C[C@H](c2ccccc2)c2ccccc2S1
BDBM50409811 COc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50409812 COc1cccc(OC)c1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50409813 C(COc1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50411187 COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 |r|
BDBM50411188 COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
BDBM50411189 COc1cccc(OC)c1OCCNC[C@H]1COc2cc3CCCCc3cc2O1 |r|
BDBM50411190 COc1cccc(OC)c1OCCNC[C@H]1COc2cc3ccccc3cc2O1 |r|
BDBM50411191 COc1cc(ccc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1 |r|
BDBM50411192 COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3CCCCc3cc2O1 |r|
BDBM50411193 COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 |r|
BDBM50411194 COc1ccc2CCCCc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
BDBM50411195 COc1ccc(cc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1 |r|
BDBM50410225 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CCCCC1CCSS1
BDBM50410226 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)CC1CCSS1
BDBM50410227 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCSS1
BDBM50414396 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1 |r|
BDBM50414397 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1 |r|
BDBM50414398 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1 |r|
BDBM50414399 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)C1COc2ccccc2O1
BDBM50417057 CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417058 CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417059 CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417060 COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
BDBM50417061 CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1
BDBM50417062 COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417063 COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417064 COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1
BDBM50417065 CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1
BDBM50417386 Fc1ccccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.81,-13.52,;23.13,-14.3,;24.47,-13.55,;25.8,-14.33,;25.78,-15.87,;24.44,-16.62,;23.12,-15.84,;21.78,-16.59,;20.39,-15.95,;19.34,-17.08,;18.6,-18.43,;17.06,-18.46,;16.27,-17.15,;17,-15.79,;18.54,-15.76,;14.73,-17.18,;13.85,-18.45,;12.37,-18.01,;11.05,-18.81,;9.7,-18.07,;9.67,-16.53,;8.32,-15.79,;8.28,-14.25,;6.93,-13.51,;9.59,-13.45,;8.32,-12.71,;10.98,-15.73,;12.33,-16.46,;13.79,-15.94,;20.1,-18.42,;21.61,-18.12,;22.74,-19.16,)|
BDBM50417387 Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(48.29,-13.3,;46.95,-14.06,;46.93,-15.6,;45.59,-16.35,;44.26,-15.57,;44.28,-14.03,;45.61,-13.28,;42.93,-16.32,;41.53,-15.68,;40.48,-16.81,;39.74,-18.16,;38.21,-18.19,;37.41,-16.88,;38.14,-15.53,;39.68,-15.5,;35.87,-16.91,;34.99,-18.18,;33.51,-17.74,;32.19,-18.54,;30.84,-17.8,;30.81,-16.26,;29.46,-15.52,;29.42,-13.98,;28.07,-13.24,;30.74,-13.18,;29.46,-12.44,;32.12,-15.46,;33.47,-16.19,;34.93,-15.67,;41.24,-18.15,;42.75,-17.85,;43.88,-18.89,)|
BDBM50417388 Fc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(45.18,-25.24,;45.16,-26.78,;46.5,-27.56,;46.48,-29.1,;45.14,-29.86,;43.82,-29.07,;43.83,-27.54,;42.48,-29.82,;41.08,-29.18,;40.04,-30.32,;39.29,-31.66,;37.76,-31.7,;36.96,-30.38,;37.69,-29.03,;39.24,-29,;35.43,-30.41,;34.55,-31.68,;33.06,-31.24,;31.75,-32.04,;30.4,-31.3,;30.36,-29.76,;29.01,-29.02,;28.98,-27.48,;27.62,-26.75,;30.29,-26.68,;29.02,-25.94,;31.67,-28.96,;33.03,-29.69,;34.49,-29.18,;40.8,-31.65,;42.31,-31.35,;43.44,-32.39,)|
BDBM50417389 O=C1OC2(CN1c1ccccc1)CCN(CC2)c1nc2ccccc2[nH]1
BDBM50417390 FC(F)(F)Oc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
BDBM50417391 FC(F)(F)c1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
BDBM50417392 Fc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
BDBM50417393 Cc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.92,-28.06,;23.25,-28.84,;24.59,-28.08,;25.92,-28.86,;25.9,-30.4,;24.56,-31.16,;23.24,-30.37,;21.9,-31.12,;20.5,-30.48,;19.46,-31.62,;18.71,-32.97,;17.18,-33,;16.38,-31.68,;17.11,-30.33,;18.66,-30.3,;14.85,-31.71,;13.97,-32.98,;12.48,-32.54,;11.17,-33.34,;9.81,-32.61,;9.78,-31.06,;8.43,-30.32,;8.39,-28.78,;7.04,-28.05,;9.71,-27.98,;8.43,-27.24,;11.09,-30.26,;12.44,-30.99,;13.91,-30.48,;20.22,-32.95,;21.73,-32.65,;22.86,-33.7,)|
BDBM50417394 Brc1ccc2nc([nH]c2c1)N1CCC2(CN(C(=O)O2)c2ccccc2)CC1
BDBM50417395 FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2cccnc2)CC1 |r,wU:17.24,wD:14.15,(-12.77,-33.88,;-11.41,-34.62,;-10.09,-33.81,;-11.37,-33.07,;-11.39,-36.15,;-10.02,-36.89,;-9.99,-38.43,;-8.64,-39.17,;-7.32,-38.37,;-5.84,-38.81,;-4.96,-37.54,;-5.9,-36.31,;-7.36,-36.82,;-8.71,-36.09,;-3.42,-37.51,;-2.63,-38.83,;-1.09,-38.79,;-.35,-37.45,;.7,-36.31,;2.09,-36.95,;1.92,-38.48,;3.05,-39.52,;.41,-38.78,;3.43,-36.2,;4.75,-36.99,;6.09,-36.23,;6.11,-34.69,;4.78,-33.91,;3.44,-34.67,;-1.15,-36.13,;-2.69,-36.16,)|
BDBM50417397 O=C1O[C@@]2(CN1c1ccccn1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N |r,wU:3.2,wD:14.19,(25.34,-47.26,;24.21,-46.22,;22.7,-46.52,;21.94,-45.18,;22.99,-44.05,;24.39,-44.69,;25.72,-43.94,;27.05,-44.72,;28.39,-43.97,;28.4,-42.43,;27.07,-41.65,;25.74,-42.4,;21.2,-46.53,;19.67,-46.56,;18.87,-45.25,;19.6,-43.89,;21.15,-43.86,;17.33,-45.27,;16.45,-46.55,;14.97,-46.11,;13.66,-46.91,;12.31,-46.17,;12.27,-44.63,;13.58,-43.83,;14.93,-44.56,;16.39,-44.04,;10.92,-43.89,;9.58,-43.12,)|
BDBM50417399 FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1 |r,wU:16.23,wD:13.14,(-11.58,-41.95,;-11.55,-43.49,;-12.86,-44.29,;-12.88,-42.71,;-10.19,-44.22,;-10.15,-45.77,;-8.8,-46.5,;-7.49,-45.7,;-6,-46.14,;-5.12,-44.87,;-6.06,-43.64,;-7.52,-44.15,;-8.88,-43.42,;-3.59,-44.84,;-2.79,-46.16,;-1.26,-46.13,;-.51,-44.78,;.53,-43.64,;1.93,-44.28,;1.75,-45.81,;2.89,-46.86,;.25,-46.11,;3.26,-43.53,;4.59,-44.32,;5.93,-43.57,;5.95,-42.03,;4.61,-41.24,;3.28,-42,;-1.31,-43.46,;-2.86,-43.49,)|
BDBM50417402 FC(F)(F)c1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:16.23,wD:13.14,(28.53,-36.29,;28.56,-37.83,;27.25,-38.63,;27.22,-37.06,;29.91,-38.57,;29.95,-40.11,;31.3,-40.85,;32.61,-40.05,;34.1,-40.49,;34.98,-39.22,;34.04,-37.99,;32.58,-38.5,;31.22,-37.77,;36.51,-39.19,;37.31,-40.51,;38.84,-40.47,;39.59,-39.12,;40.63,-37.99,;42.03,-38.63,;41.86,-40.16,;42.99,-41.2,;40.35,-40.46,;43.37,-37.88,;44.69,-38.67,;46.03,-37.91,;46.05,-36.37,;44.71,-35.59,;43.38,-36.35,;38.79,-37.81,;37.24,-37.84,)|
BDBM50417403 Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)OC1=O |r,wU:9.29,wD:12.16,(8.45,-40.09,;7.11,-40.85,;7.09,-42.39,;5.75,-43.14,;4.42,-42.35,;4.44,-40.82,;5.77,-40.06,;3.09,-43.11,;1.69,-42.46,;.65,-43.6,;-.1,-44.95,;-1.63,-44.98,;-2.43,-43.66,;-1.7,-42.31,;-.15,-42.28,;-3.96,-43.69,;-4.85,-44.97,;-6.33,-44.52,;-7.64,-45.33,;-8.99,-44.59,;-9.03,-43.05,;-7.72,-42.24,;-6.37,-42.98,;-4.9,-42.46,;-10.38,-42.31,;-11.72,-41.54,;1.41,-44.94,;2.91,-44.64,;4.05,-45.68,)|
BDBM50417404 Cc1cccc(n1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(4.72,-25.12,;4.71,-26.66,;6.04,-27.44,;6.02,-28.99,;4.68,-29.74,;3.36,-28.95,;3.37,-27.42,;2.02,-29.7,;.63,-29.06,;-.42,-30.2,;-1.16,-31.54,;-2.7,-31.58,;-3.49,-30.26,;-2.76,-28.91,;-1.22,-28.88,;-5.03,-30.29,;-5.91,-31.56,;-7.39,-31.12,;-8.71,-31.92,;-10.06,-31.19,;-10.09,-29.64,;-11.46,-28.9,;-11.48,-27.37,;-12.84,-26.63,;-10.17,-26.56,;-11.44,-25.82,;-8.78,-28.84,;-7.43,-29.57,;-5.97,-29.06,;.34,-31.53,;1.85,-31.23,;2.98,-32.28,)|
BDBM50417405 FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:17.24,wD:14.15,(-14.1,-12.22,;-12.74,-12.96,;-11.43,-12.16,;-12.7,-11.42,;-12.72,-14.5,;-11.36,-15.24,;-11.32,-16.78,;-9.97,-17.52,;-8.66,-16.71,;-7.17,-17.16,;-6.29,-15.88,;-7.23,-14.65,;-8.69,-15.17,;-10.04,-14.44,;-4.76,-15.85,;-3.96,-17.17,;-2.43,-17.14,;-1.69,-15.79,;-.64,-14.66,;.76,-15.3,;.58,-16.83,;1.71,-17.87,;-.93,-17.13,;2.09,-14.55,;3.41,-15.33,;4.75,-14.58,;4.77,-13.04,;3.44,-12.26,;2.1,-13.01,;-2.48,-14.47,;-4.03,-14.5,)|
BDBM50417406 O=C1O[C@@]2(CN1c1ccccc1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N |r,wU:3.2,wD:14.19,(44.12,-48.11,;42.99,-47.06,;41.48,-47.37,;40.72,-46.03,;41.77,-44.89,;43.17,-45.54,;44.5,-44.78,;45.83,-45.57,;47.17,-44.82,;47.18,-43.28,;45.85,-42.49,;44.51,-43.25,;39.98,-47.38,;38.45,-47.41,;37.65,-46.09,;38.38,-44.74,;39.92,-44.71,;36.11,-46.12,;35.23,-47.4,;33.75,-46.95,;32.43,-47.76,;31.08,-47.02,;31.05,-45.47,;32.36,-44.67,;33.71,-45.4,;35.17,-44.89,;29.7,-44.74,;28.35,-43.96,)|
BDBM50417408 FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccn2)CC1 |r,wU:17.24,wD:14.15,(27.51,-20,;28.86,-20.74,;30.17,-19.93,;28.9,-19.19,;28.9,-22.27,;30.25,-23.01,;30.28,-24.56,;31.63,-25.29,;32.95,-24.49,;34.43,-24.93,;35.31,-23.66,;34.37,-22.43,;32.91,-22.94,;31.56,-22.21,;36.84,-23.63,;37.64,-24.95,;39.18,-24.92,;39.92,-23.57,;40.97,-22.43,;42.36,-23.07,;42.19,-24.6,;43.32,-25.65,;40.68,-24.9,;43.7,-22.32,;45.02,-23.11,;46.36,-22.36,;46.38,-20.81,;45.05,-20.03,;43.71,-20.79,;39.12,-22.25,;37.58,-22.28,)|
BDBM50416773 COc1ccccc1N1CCN(CC2OCC(O2)(c2ccccc2)c2ccccc2)CC1
BDBM50416774 COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416775 COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416776 COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CC4(CCCC4)CC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416777 COc1ccccc1N1CCN(C[C@H]2CO[C@@](CN3CCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50415772 CCOc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50415773 CC(C)Oc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50415774 C(COc1ccccc1-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50415775 C(COc1ccc(cc1)-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50416778 COc1ccccc1N1CCN(C[C@@H]2CO[C@@](CN3CCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416779 COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416668 C1CN(CCN1)C1=Cc2ccccc2Cn2ccnc12 |t:7|
BDBM50416780 COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416781 COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416782 COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3CCCCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416783 COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50417538 COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O |r|
BDBM50417539 COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O |r|
BDBM50417540 COc1ccc(C[C@@H](C)NCCOc2ccccc2OCC(F)(F)F)cc1S(N)(=O)=O |r|
BDBM50417541 COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O |r|
BDBM50417542 COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O |r|
BDBM50415776 COc1ccccc1OCCNCC1CSC(O1)(c1ccccc1)c1ccccc1
BDBM50415777 COc1ccccc1OCCNCC1CSC(S1)(c1ccccc1)c1ccccc1
BDBM50415780 Cc1ccccc1OCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50415781 COc1ccccc1CCCNCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50415782 COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1
BDBM50415784 COc1cccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1OC
BDBM50415785 COc1ccc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)cc1OC
BDBM50415786 COc1cc(OC)cc(OCCNCC2COC(O2)(c2ccccc2)c2ccccc2)c1
BDBM50415787 C(COc1cccc(c1)-c1ccccc1)NCC1COC(O1)(c1ccccc1)c1ccccc1
BDBM50416784 COc1ccccc1N1CCN(C[C@@H]2CO[C@](CN3C(=O)CCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50416785 COc1ccccc1N1CCN(C[C@H]2CO[C@](CN3C(=O)CCCC3=O)(O2)c2ccccc2)CC1 |r|
BDBM50417066 OC(CN1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ccccc1
BDBM50417067 COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1
BDBM50417068 CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1
BDBM50416853 COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416854 COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1
BDBM50416855 COc1cccc(OC)c1CCCNCCOc1ccccc1OCc1ccccc1
BDBM50416856 COc1cccc(OC)c1S(=O)CCNCCOc1ccccc1OCc1ccccc1
BDBM50416857 CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416858 COc1cccc(c1OCCNCCOc1ccccc1OCc1ccccc1)[N+]([O-])=O
BDBM50416859 COc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416860 COc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416861 CCOc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416862 COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416863 Clc1cccc(Cl)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416864 Cc1cccc(C)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416865 Oc1cccc(O)c1OCCNCCOc1ccccc1OCc1ccccc1
BDBM50416866 C(COc1ccccc1)NCCOc1ccccc1OCc1ccccc1
BDBM50412774 C(COc1ccccc1)NC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
BDBM50412775 C(COc1ccccc1)NC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
BDBM50412776 COc1cccc(OC)c1OCCNC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
BDBM50412777 COc1cccc(OC)c1OCCNC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
BDBM50412778 COc1ccccc1OCCNC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
BDBM50412779 COc1ccccc1OCCNC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
BDBM50412780 C(COc1ccccc1)NC[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
BDBM50412781 C(COc1ccccc1)NC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
BDBM50412782 COc1cccc(OC)c1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412783 COc1ccccc1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412784 C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412785 COc1cccc(OC)c1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
BDBM50412786 COc1ccccc1OCCNC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
BDBM50412787 C(COc1ccccc1)NC[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
BDBM50412788 COc1cccc(OC)c1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
BDBM50412789 COc1cccc(OC)c1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
BDBM50412790 COc1ccccc1OCCNC[C@@H]1COC[C@H](O1)c1ccccc1 |r|
BDBM50412773 COc1ccccc1OCCNC[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
BDBM50411351 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccc(C)o1
BDBM50411352 COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccccc1
BDBM50411353 COc1ccc(o1)C(=O)N1CCN([C@@H]2CCCC[C@H]12)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50419711 COc1ccccc1N1CCN(CC2CCC(C2=O)(c2ccccc2)c2ccccc2)CC1
BDBM50419712 O[C@@H]1[C@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r|
BDBM50419713 COc1ccccc1OCCNC[C@H]1CCC([C@@H]1O)(c1ccccc1)c1ccccc1 |r|
BDBM50419714 COc1ccccc1N1CCN(C[C@H]2CCC([C@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
BDBM50419715 COc1ccccc1N1CCN(C[C@H]2CCC([C@@H]2O)(c2ccccc2)c2ccccc2)CC1 |r|
BDBM50419716 COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
BDBM50419717 C(COc1ccccc1)NCC1CCC(O1)(c1ccccc1)c1ccccc1
BDBM50419718 COc1ccccc1N1CCN(CC2CCC(O2)(c2ccccc2)c2ccccc2)CC1
BDBM50419719 O=C1C(CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1
BDBM50419720 COc1ccccc1OCCNCC1CCC(C1=O)(c1ccccc1)c1ccccc1
BDBM50419721 O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r|
BDBM50419722 COc1ccccc1OCCNCC1CCC(O1)(c1ccccc1)c1ccccc1
BDBM50418747 COc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418748 Clc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418749 COc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418750 Clc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418751 COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418752 COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418753 Clc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418754 COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418755 COc1ccccc1N1CCN(CCCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
BDBM50418756 COc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
BDBM50418757 Clc1ccc(cc1)C1CC(=O)N(CCN2CCN(CC2)c2ccccc2Cl)C(=O)C1
BDBM50418758 COc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
BDBM50418759 Clc1ccc(cc1)C1CC(=O)N(CCCN2CCN(CC2)c2ccccc2Cl)C(=O)C1
BDBM50418760 COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
BDBM50418761 COc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1
BDBM50418762 COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1
BDBM50418763 COc1ccccc1N1CCN(CCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
BDBM50418764 COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
BDBM50418765 COc1ccccc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
BDBM50418766 COc1ccc(Cl)cc1N1CCN(CCCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
BDBM50418767 COc1ccccc1N1CCN(CCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
BDBM50418768 COc1ccccc1N1CCN(CCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
BDBM50418769 COc1ccccc1N1CCN(CCCCN2C(=O)CC3(CCc4ccccc34)CC2=O)CC1
BDBM50421591 Cc1ccnc(c1)-c1ccccc1OCC1=NCCN1 |t:17|
BDBM50421592 C(Oc1ccccc1-c1ccccn1)C1=NCCN1 |t:16|
BDBM50421593 C(Oc1ccccc1-c1ccc[nH]1)C1=NCCN1 |t:15|
BDBM50421594 C(Oc1ccccc1-c1cccnc1)C1=NCCN1 |t:16|
BDBM50421595 Cc1ccoc1-c1ccccc1OCC1=NCCN1 |t:16|
BDBM50421596 Cc1ncoc1-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421597 C(Nc1ccccc1-c1ccno1)C1=NCCN1 |t:15|
BDBM50421598 C(Nc1ccccc1-c1cnco1)C1=NCCN1 |t:15|
BDBM50421599 C(Nc1ccccc1-c1ncco1)C1=NCCN1 |t:15|
BDBM50421600 C(Nc1ccccc1-c1ncccn1)C1=NCCN1 |t:16|
BDBM50421601 C(Nc1ccccc1-c1ccccn1)C1=NCCN1 |t:16|
BDBM50421602 CO\N=C\c1ccccc1NCC1=NCCN1 |t:13|
BDBM50421640 Cn1nccc1-c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421641 C(Nc1ccccc1-c1cc[nH]n1)C1=NCCN1 |t:15|
BDBM50421512 CNC(=O)c1ccccc1NCC1=NCCN1 |t:13|
BDBM50421513 CCN(CC)C(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421514 O=C(NC1CC1)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421515 CCCCNC(=O)c1ccccc1NCC1=NCCN1 |t:16|
BDBM50421516 CC(C)OC(=O)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50421517 CCN(C)C(=O)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50419925 C1CN=C(N1)[C@@H]1CO[C@@H](CO1)c1ccccc1 |r,c:2|
BDBM50421575 CSc1ccccc1NCc1cnc[nH]1
BDBM50421576 CCCNC(=O)c1ccccc1NCc1cnc[nH]1
BDBM50421577 CCCNC(=O)c1ccccc1NCC1=NCCN1 |t:15|
BDBM50421578 C(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
BDBM50421579 C(Oc1ccccc1-c1ccccc1)c1cnc[nH]1
BDBM50421580 CSc1ccccc1NCC1=NCCN1 |t:11|
BDBM50429047 COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC |r|
BDBM50421589 CN(C)CC1CC2N(O1)c1cnccc1Cc1ccccc21
BDBM50422378 COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1
BDBM50422379 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50422380 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
BDBM50422381 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(cc2)C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
BDBM50422382 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
BDBM50422383 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(cc2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
BDBM50422384 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
BDBM50435344 COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50445614 CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
BDBM6775 CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N(C)C)CC1 |(-28.01,-6.93,;-28.01,-5.39,;-26.67,-4.62,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-24.01,-4.62,;-25.34,-5.39,;-22.67,-5.39,;-22.67,-6.93,;-21.34,-7.7,;-20.01,-6.93,;-18.67,-7.7,;-17.34,-6.93,;-16,-7.7,;-16,-9.24,;-14.67,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-9.34,-10.01,;-8,-9.24,;-9.34,-11.55,;-20.01,-5.39,;-21.34,-4.62,)|
BDBM50023191 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCN(C)Cc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023192 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCN(C)C)ccc4sc3c2=O)CC1
BDBM50023193 COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1
BDBM50023194 COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023195 COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023196 COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023197 COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)CCCNC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023199 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4sc3c2=O)CC1
BDBM50023200 COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
BDBM50017964 C(CN1CCN(CC1)c1ncccn1)Cc1nc2ccccc2s1
BDBM50018019 Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
BDBM50023183 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1
BDBM50023184 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)Cc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023185 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023186 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023187 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023188 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023189 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)ccc4sc3c2=O)CC1
BDBM50023190 COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1
BDBM50067212 CNC[C@H](O)c1cccc(O)c1 |r|
BDBM50067213 Cl.Fc1ccc(cc1)C(N1CCN(CCCCN2CCCC2=O)CC1)c1ccc(F)cc1
BDBM50067214 Cl.Clc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1
BDBM50027852 CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
BDBM50070328 C1CC1C(NC1=NCCO1)C1CC1 |t:6|
BDBM50070798 NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
BDBM255474 Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 |t:5|
BDBM186927 C(CN1CCO[C@H](COc2ccccc2)C1)N1CCc2ccccc12 |r|
BDBM186935 Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
BDBM186937 COc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc34)CCO2)c1 |r|
BDBM50065660 COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1OC(=O)NCc1ccccc1)C(C)C |r|
BDBM50103891 Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1
BDBM50103892 COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1
BDBM50103893 Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1
BDBM50103896 C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12
BDBM50142755 COc1ccccc1N1CCN(CCCCNC(=O)CC2CCCCC2)CC1
BDBM50140053 Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50091348 CCN(CC)c1ccc2cc(-n3cc(CN4CCN(CC4)c4nc(N)c5cc(OC)c(OC)cc5n4)nn3)c(=O)oc2c1
BDBM50091349 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(6.4,-19.42,;5.33,-20.04,;4,-19.27,;3.99,-17.71,;2.66,-16.94,;2.67,-15.4,;1.34,-14.63,;.01,-15.4,;0,-16.94,;-1.07,-17.55,;1.33,-17.71,;1.33,-19.24,;2.67,-20.03,;2.66,-21.57,;1.59,-22.18,;1.34,-13.09,;.01,-12.32,;.01,-10.78,;1.34,-10.01,;2.67,-10.78,;2.67,-12.32,;1.34,-8.47,;2.41,-7.85,;0,-7.7,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;1.34,-5.39,;2.67,-3.09,;2.68,-2.06,;3.74,-3.7,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,)|
BDBM50091350 CCN(CC)c1ccc2cc(-n3cc(nn3)C(=O)N3CCN(CC3)c3nc(N)c4cc(OC)c(OC)cc4n3)c(=O)oc2c1
BDBM50091352 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cc2ccc(O)cc2oc1=O
BDBM50108088 CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM50108096 COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM50108090 CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CC1 |r|
BDBM50108089 CC(C)(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM50099434 COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1
BDBM50099436 COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1
BDBM50099441 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccc3)O2)CC1
BDBM50099442 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccn3)O2)CC1
BDBM50099443 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccccc3)O2)CC1
BDBM50099444 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)O2)CC1
BDBM50099445 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccco3)O2)CC1
BDBM50099453 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C3CCCN3)O2)CC1
BDBM50099455 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C(F)(F)F)O2)CC1
BDBM50099457 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1
BDBM50099459 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)O2)CC1
BDBM50099460 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)O2)CC1
BDBM50099461 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1
BDBM50099473 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)Nc3ccccc3)O2)CC1
BDBM50099557 CCCCNC(=O)N1CCC2(CC1)OCC(CN1CCN(CC1)c1ccccc1OC)O2
BDBM50099565 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)NC(C)(C)C)O2)CC1
BDBM50108091 CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CCC1 |r|
BDBM50108092 CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C(F)(F)F |r|
BDBM50108093 CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)-c1ccccc1 |r|
BDBM50108094 Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM50108095 CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(CO)n[nH]c2c1 |r|
BDBM50108097 CCOc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM50108098 CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(Cl)n[nH]c2c1 |r|
BDBM50108099 CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
BDBM225230 CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
BDBM50103894 COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1
BDBM50142793 CCOC(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50140054 Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140055 Brc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140056 Cc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
BDBM50140058 C=CCN(CCc1c[nH]c2ccccc12)CC=C
BDBM50142758 Cc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50142760 Oc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50142776 Fc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50142784 Clc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50115113 C(CN1CCC(CC1)c1c[nH]c2ccccc12)Cn1cccc1
BDBM50115114 C(CN1CCc2ccccc12)CN1CCC(CC1)c1c[nH]c2ccccc12
BDBM50115118 C(CN1Cc2ccccc2C1)CN1CCC(CC1)c1c[nH]c2ccccc12
BDBM50115120 C(CN1CCC(CC1)c1c[nH]c2ccccc12)CN1CCC(CC1)c1ccccc1
BDBM50115122 Fc1ccc2c(c[nH]c2c1)C1CCN(CCCN2CCc3ccccc3C2)CC1
BDBM50115189 C(CC1CCCCC1)CN1CCC(CC1)c1c[nH]c2ccccc12
BDBM50142785 Clc1ccc(cc1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50099462 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccs3)O2)CC1
BDBM50099472 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(C)(=O)=O)O2)CC1
BDBM50103887 Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
BDBM50103888 COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
BDBM50099446 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C3CCCCC3)O2)CC1
BDBM50099454 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(C)=O)O2)CC1
BDBM50099456 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccccc3)O2)CC1
BDBM50099458 COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)O2)CC1
BDBM50091351 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cn(nn1)-c1cc2ccc(O)cc2oc1=O
BDBM50103889 Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12
BDBM50103890 COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12
BDBM50103895 COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12
BDBM50103897 Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1
BDBM50115121 C(CN1CCC(CC1)c1c[nH]c2ccccc12)CN1CCc2ccccc2C1
BDBM50142783 Clc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50142786 Cc1cccc(N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2)c1C
BDBM50115190 C(CN1CCC(CC1)c1c[nH]c2ccccc12)Cc1ccccc1
BDBM50115123 O=C1N(CCCN2CCC(CC2)c2c[nH]c3ccccc23)C(=O)c2ccccc12
BDBM50115188 CN(C)CCCN1CCC(CC1)c1c[nH]c2ccccc12
BDBM50099435 COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1
BDBM50099437 COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1
BDBM50099439 COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1
BDBM50099440 COc1ccccc1N1CCN(CC2COC3(CCNCC3)O2)CC1
BDBM50142753 COc1ccccc1N1CCN(CCCCNC(=O)N2CCOCC2)CC1
BDBM50142754 COc1ccccc1N1CCN(CCCCNC(=O)C2CCCCC2)CC1
BDBM50142756 COc1ccccc1N1CCN(CCCCNC(=O)CC(C)C)CC1
BDBM50142757 COc1ccccc1N1CCN(CCCCCOc2ccc3ccccc3c2)CC1
BDBM50142787 FC(F)(F)c1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50142788 Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50142789 O=C(NCCCCN1CCN(CC1)c1cccc2[nH]ccc12)c1ccc2ccccc2c1
BDBM50142790 O=C(NCCCCN1CCN(CC1)c1cccc2NC(=O)Cc12)c1ccc2ccccc2c1
BDBM50142791 O=C(NCCCCN1CCN(CC1)c1cccc2[nH]c(=O)[nH]c12)c1ccc2ccccc2c1
BDBM50142792 CS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
BDBM50142794 COc1ccccc1N1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1
BDBM50142795 COc1ccccc1N1CCN(CCCCNC(=O)N(C)c2ccccc2)CC1
BDBM50172992 CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50171392 CNC(=O)c1cccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
BDBM50171400 CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1F
BDBM81993 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C |r,c:28|
BDBM50173106 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)ccc(C)c1C
BDBM50173107 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)cc(C)cc1C
BDBM50173109 CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCc1ccccc1
BDBM50173110 CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccc(F)cc1Br
BDBM50173111 COc1cc(C)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173112 COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50173113 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc(F)cc1OCC(F)(F)F
BDBM50173114 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F
BDBM50173115 CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F
BDBM50173116 CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F
BDBM50164681 NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=N
BDBM50172991 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc2OCOc2c1
BDBM50172990 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc(F)cc1Br
BDBM50173001 CCc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173118 CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50173004 COc1ccc(F)cc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173101 CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCC(F)(F)F
BDBM50173002 COc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173003 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
BDBM50173005 COc1cc(F)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173006 COc1cc(Cl)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50173099 C[C@@H](Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F |r|
BDBM50173100 COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50173102 CCc1ccc(OCCNC(C)Cc2cc3CCN(CCCO)c3c(c2)C(N)=O)c(OC)c1
BDBM50173104 COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50173103 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)cccc1C
BDBM50173108 C[C@H](Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F |r|
BDBM50173117 COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50172993 CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3CCN(CCCO)c3c(c2)C(N)=O)c1
BDBM50172994 C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F |r|
BDBM50172995 C[C@@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F |r|
BDBM50172996 CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3n(CCCO)ccc3c2)c1
BDBM50172997 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Br)ccc1OCC(F)(F)F
BDBM50172998 COc1cc(Br)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
BDBM50172999 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCc1ccccc1
BDBM50173000 CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1C
BDBM50173105 COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
BDBM50205354 CCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1
BDBM50205355 OC(=O)\C=C\c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
BDBM50205357 OC(=O)c1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc2c1
BDBM50205358 CCCCc1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2nc(CCC(O)=O)ccc2c1
BDBM50205359 OC(=O)CCc1ccc2cc(Cc3ccccc3)cc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
BDBM50205360 C(COc1ccc(CCCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
BDBM162127 NC[C@@H](O)c1ccc(O)c(O)c1 |r|
BDBM162129 CNCC(O)c1cccc(O)c1
BDBM50204306 [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
BDBM50205361 C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
BDBM50204312 [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
BDBM50213345 CC1CN=C(Nc2ccc3nccnc3c2Br)N1 |t:3|
BDBM50195267 COc1ccc2c3CC4N(CCc5cc6OCOc6cc45)Cc3[nH]c2c1
BDBM50195273 Oc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
BDBM50210794 COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1
BDBM50213346 Brc1c(NC2=NCCO2)ccc2nccnc12 |t:4|
BDBM50195305 [H][C@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r|
BDBM50205353 C(COc1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
BDBM50205362 OC(=O)c1ccnc2c(cccc12)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
BDBM50205364 OC(=O)CCc1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
BDBM50205365 OC(=O)c1ccc2cccnc2c1N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
BDBM50205366 N#Cc1ccc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc12
BDBM50205367 OC(=O)c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
BDBM50205369 OC(=O)CCc1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
BDBM50212993 C1CN=C(NC2CCCCCC2)O1 |t:2|
BDBM50212994 C1CN=C(O1)N1CCOCC1 |c:2|
BDBM50212995 C1CN=C(NC2CCCc3ccccc23)O1 |t:2|
BDBM50212996 C1COC(NC2CCCc3ccccc23)=NC1 |c:16|
BDBM50213350 Brc1c(NC2=NCCS2)ccc2nccnc12 |t:4|
BDBM50213351 Cc1cnc2c(Br)c(NC3=NCCN3)ccc2n1 |t:9|
BDBM50198640 CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1
BDBM50213028 Brc1c(NC2=NCCN2)ccc2NCCNc12 |t:4|
BDBM50213029 C1CN=C(Nc2ccc3nccnc3c2)N1 |t:2|
BDBM50205356 OC(=O)c1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
BDBM50195268 C1Oc2cc3CC4N(CCc5cc6OCOc6cc45)Cc3cc2O1
BDBM50195269 Cn1c2CN3CCc4cc5OCOc5cc4C3Cc2c2ccccc12
BDBM50195270 [H][C@@]12Cc3c(Cl)cc(OC)c(O)c3CN1CCc1cc(OC)c(O)cc21 |r|
BDBM50195271 [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccccc31 |r|
BDBM50195272 Fc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
BDBM50195266 Fc1ccc2c3CC4N(CCc5cc6OCOc6cc45)Cc3[nH]c2c1
BDBM50213343 Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|
BDBM50213349 [H][C@]12CCCC[C@@]1([H])N=C(Nc1ccc3nccnc3c1Br)N2 |t:9|
BDBM50195276 [Cl-].COc1ccc2Cc3[n+](Cc2c1OC)ccc1cc(OC)c(OC)cc31
BDBM50195277 CCC1N2CCc3cc4OCOc4cc3C2Cc2c1[nH]c1ccccc21
BDBM50195278 COc1ccc2C3Cc4c(CN3CCc2c1)[nH]c1ccccc41
BDBM50195279 COc1ccc(cc1)C1N2CCc3cc(OC)ccc3C2Cc2c1[nH]c1ccccc21
BDBM50195280 COc1cccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c12
BDBM50195281 C(Oc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1)c1ccccc1
BDBM50195282 CCCCOc1cc2C3Cc4c(CN3CCc2cc1OC)[nH]c1ccc(OC)cc41
BDBM50195283 CCCOc1cc2C3Cc4c(CN3CCc2cc1OC)[nH]c1ccc(OC)cc41
BDBM50195284 COc1ccc2C3Cc4c([nH]c5ccccc45)C(C)N3CCc2c1
BDBM50195285 COc1ccc2[nH]c3CN4CCc5cc(OCc6ccccc6)c(OC)cc5C4Cc3c2c1
BDBM50197059 COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
BDBM50197548 CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
BDBM50198338 CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
BDBM50198439 CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1
BDBM50200441 CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1
BDBM50200566 CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
BDBM50201787 COc1ccccc1N1CCN(CCc2ccccc2)CC1
BDBM50201789 COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1
BDBM50201790 CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
BDBM50201791 COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
BDBM50210788 COc1cccc(OC)c1OCCNCC1COC2(CCCCC2)O1
BDBM50210789 COc1ccccc1OCCNCC1CSC2(CCCCC2)S1
BDBM50210790 COc1ccccc1OCCNCC1COC2(CCCCC2)O1
BDBM50210791 COc1ccccc1OCCNCC1CSC2(CCCCC2)O1
BDBM50210792 C(COc1ccccc1)NCC1CSC2(CCCCC2)S1
BDBM50210793 C(COc1ccccc1)NCC1COC2(CCCCC2)O1
BDBM50210795 COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1
BDBM50210796 C(COc1ccccc1)NCC1CSC2(CCCCC2)O1
BDBM50212997 CCC[C@H]1CCCCC1NC1=NCCO1 |t:11|
BDBM50213344 Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|
BDBM50195274 [H][C@@]12Cc3c(CN1CCc1cc4OCOc4cc21)[nH]c1ccc(OC)cc31 |r|
BDBM81453 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
BDBM50198645 COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1
BDBM50198642 COc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1ccc(OC)c(OC)c1
BDBM50198643 COc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1cncc2ccccc12
BDBM50198644 COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
BDBM50198646 COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cncc3ccccc23)CC1
BDBM50198647 COc1ccc(cc1OC)S(=O)(=O)NCC1CCN(CCOc2ccccc2OC)CC1
BDBM50195264 COc1ccc2[nH]c3CN4CCc5cc(OC)c(OCc6ccccc6)cc5C4Cc3c2c1
BDBM50195265 C1Oc2cc3CCN4Cc5[nH]c6ccccc6c5CC4c3cc2O1
BDBM50195275 COc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
BDBM162128 CNC[C@@H](O)c1cccc(O)c1
BDBM50198641 COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cc(Cl)ccc2F)CC1
BDBM50198639 CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
BDBM50071684 CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1