BindingDB logo
myBDB logout

3059 SMILES Strings for Muscarinic acetylcholine receptor M2

Compound NameSMILES String
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM8961 Nc1c2CCCCc2nc2ccccc12
BDBM10759 CC(=O)OCC[N+](C)(C)C
BDBM11638 CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
BDBM16173 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
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|
BDBM22913 NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
BDBM22914 S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
BDBM22417 CNCCC(Oc1ccccc1OC)c1ccccc1
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM22871 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
BDBM22873 CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
BDBM22985 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
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
BDBM25761 CC(C)NCC(O)COc1cccc2ccccc12
BDBM50450592 OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(8.38,-12.97,;7.3,-14.07,;8.63,-14.83,;8.64,-16.37,;9.97,-14.06,;11.3,-14.82,;11.3,-16.36,;12.63,-17.13,;13.96,-16.36,;13.96,-14.82,;12.63,-14.05,;13.05,-15.29,;12,-15.64,;5.97,-14.84,;4.63,-14.07,;3.3,-14.84,;3.31,-16.38,;4.65,-17.15,;5.98,-16.37,;7.29,-12.53,;8.62,-11.76,;8.62,-10.22,;7.28,-9.45,;5.95,-10.23,;5.96,-11.77,)|
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
BDBM28347 C(C1C[NH+]2CCC1CC2)N1c2ccccc2Sc2ccccc12 |THB:0:1:5.4:7.8,(14.51,-5.48,;15.79,-4.74,;17.21,-5.13,;17.6,-2.22,;20.16,-.74,;19.42,.54,;16.17,-1.84,;14.72,-.36,;16,.37,;14.51,-6.96,;15.79,-7.7,;17.11,-6.91,;18.45,-7.67,;18.45,-9.21,;17.11,-9.97,;15.79,-9.18,;14.51,-9.92,;13.22,-9.18,;11.9,-9.97,;10.56,-9.21,;10.56,-7.67,;11.9,-6.91,;13.22,-7.7,)|
BDBM50450972 [H][C@]12CCCCN1CCC[C@H]2CN1Cc2nc3cccnc3n2-c2ccccc2C1=O
BDBM50451110 COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|
BDBM50450970 O=C(C[C@H]1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12 |r|
BDBM50450971 O=C(C[C@@H]1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12 |r|
BDBM30130 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
BDBM50451116 COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1 |r|
BDBM50451109 COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1 |r|
BDBM50451111 COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1 |r|
BDBM50451112 COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|
BDBM50451113 COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 |r|
BDBM50451114 COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 |r|
BDBM50451115 COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1 |r|
BDBM35938 CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
BDBM35229 CNCCCN1c2ccccc2CCc2ccccc12
BDBM35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
BDBM35256 [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
BDBM39341 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM39342 CC(C[N+](C)(C)C)OC(N)=O
BDBM39344 CCN(CC)CCNC(=O)c1ccc(N)cc1
BDBM43819 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1cccs1
BDBM43820 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
BDBM43821 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
BDBM43822 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
BDBM42323 CC(=O)c1ccc2Sc3ccccc3Nc2c1
BDBM48320 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
BDBM48918 CC(C[N+](C)(C)C)OC(C)=O
BDBM46858 COC(=O)C1=CCCN(C)C1 |t:4|
BDBM54817 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
BDBM65913 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1
BDBM67545 CN(C)CCCN1c2ccccc2Sc2ccccc12
BDBM73402 CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
BDBM73209 C[C@H]1OC[C@@H](C[N+](C)(C)C)O1
BDBM75566 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
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
BDBM80806 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(C1=O)c23)CCCN1C(=O)c2cccc3cccc(C1=O)c23
BDBM79215 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
BDBM79181 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
BDBM82217 CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM82219 CN[C@@H]1CC[C@@H](c2ccccc2)c2ccccc12
BDBM82370 CN1C2CCC1CC(C2)OC(=O)C(O)c1ccccc1 |THB:9:7:1:3.4|
BDBM82071 COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
BDBM82074 CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C
BDBM82371 CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
BDBM82372 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:1:3:6.7:9.10.11,THB:4:3:6.7:9.10.11,12:10:3:6.7,(-1.51,-1.3,;-.6,-.05,;-1.22,1.36,;.93,-.22,;1.51,1.21,;1.98,-1.04,;1.38,-2.36,;.22,-3.07,;1.19,-1.74,;3.01,-1.74,;3.97,-2.54,;3.71,-1.01,;4.74,-3.87,;3.97,-5.2,;2.43,-5.2,;4.74,-6.54,;6.28,-6.54,;7.05,-7.87,;3.97,-7.87,;4.73,-9.21,;3.96,-10.54,;2.42,-10.54,;1.65,-9.2,;2.43,-7.87,)|
BDBM82373 CCN(CC)CC#CCC(=O)C(c1ccccc1)c1ccccc1
BDBM82479 CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
BDBM82374 CN(C)CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc12
BDBM82375 CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1
BDBM82376 CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1
BDBM82377 CC1CC(CC(C)(C)N1C)OC(=O)C(O)c1ccccc1
BDBM82378 CCN1CCCC(C1)OC(=O)C(c1ccccc1)c1ccccc1
BDBM82423 CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM82273 COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1
BDBM82379 CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1
BDBM82380 CCCN(CCCl)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
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|
BDBM82559 CN(CCCCCCNCCCCCCCCNCCCCCCN(CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12
BDBM81957 Cc1cccc2ccc(nc12)N1CCNCC1
BDBM81959 C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
BDBM81960 OC(CCCN1CCCCC1)(C1CCCCC1)c1ccccc1
BDBM81961 C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
BDBM81452 CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
BDBM81458 COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
BDBM81462 OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM81466 OC(=O)C=CC(=O)Oc1ccc(Cl)cc1 |w:4.4|
BDBM81799 O[Si](CCCN1CCCCC1)(C1CCCCC1)c1ccccc1
BDBM81800 CCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1
BDBM81982 Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
BDBM81483 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N1CCCCC1
BDBM81484 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
BDBM81937 CC(=O)N[C@H]1CO[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4OS(O)(=O)=O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@@H]1O
BDBM81896 CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2NC(=O)c2ccccc12
BDBM81897 CCC(C)C(NC(=O)C(CO)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1)C(=O)NC(CC(O)=O)C(O)=O
BDBM81898 OC(C#CCN1CCCCC1)(C1CCCCC1)c1ccccc1
BDBM81939 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
BDBM81900 CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM81901 CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM81768 OC(=O)C(O)(c1ccccc1)c1ccccc1
BDBM81769 CN1CCN(CC1)C1=Cc2cc(Cl)ccc2C(=CC#N)c2ccccc12 |w:17.19,t:8|
BDBM81770 CN1CCN(CC1)C1=Nc2cscc2C(=CC#N)c2cscc12 |w:15.17,t:8|
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|
BDBM81494 CC1OC2(CC1=C)CCN(C)CC2
BDBM81495 C[C@@H]1OC2(CC1=C)CCN(C)CC2 |r|
BDBM81496 C[C@H]1OC2(CC1=C)CCN(C)CC2 |r|
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
BDBM86049 CC(CCCC(O)C[N+](C)(C)C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
BDBM86231 CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
BDBM86290 Cc1nccn1CC#CCOC1=NOCC1 |t:12|
BDBM86291 Cc1nccn1CC#CCOc1ccon1
BDBM86292 Cc1nccn1CC#CCN1OCCC1=O
BDBM86293 Cc1n(CC#CCOc2ccon2)cc[n+]1-c1ccc(Br)cc1
BDBM86057 CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
BDBM86294 Cc1n(CC#CCOC2=NOCC2)cc[n+]1C |t:8|
BDBM86295 Cc1n(CC#CCN2OCCC2=O)cc[n+]1C
BDBM86310 CN(C)CCOC(=O)N(C)C
BDBM86312 CN(C)C(=O)OCC[N+](C)(C)C
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
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
BDBM85787 Nc1cocc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1 |r|
BDBM85067 Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
BDBM85330 Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
BDBM85195 CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
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
BDBM85816 C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.66,-.26,;4,.51,;5.33,-.26,;6.58,.64,;7.82,-.26,;7.35,-1.73,;5.81,-1.73,;4.72,-2.82,;4.72,-4.36,;3.38,-5.13,;2.05,-4.36,;2.05,-2.82,;3.38,-2.05,;4.15,-3.38,;2.67,-3.78,;1.33,.51,;-0,1.28,;-1.34,2.05,;-1.34,3.59,;-2.67,4.36,;-4,3.59,;-4,2.05,;-2.67,1.28,;-5.34,1.28,;-6.67,.51,;-8.01,-.26,;-9.34,.51,;-10.67,-.26,;-11.92,.64,;-13.16,-.26,;-12.69,-1.73,;-11.15,-1.73,;-10.06,-2.82,;-10.06,-4.36,;-8.73,-5.13,;-7.39,-4.36,;-7.39,-2.82,;-8.73,-2.05,;-9.5,-3.38,;-8.01,-3.78,)|
BDBM85817 C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.45,.06,;3.22,1.4,;4.76,1.4,;5.39,2.81,;6.92,2.64,;7.24,1.14,;5.91,.37,;5.51,-1.12,;6.28,-2.45,;5.51,-3.79,;3.97,-3.79,;3.2,-2.45,;3.97,-1.12,;5.3,-1.89,;4.21,-2.98,;.91,.06,;-.63,.06,;-2.17,.06,;-2.94,-1.27,;-4.48,-1.27,;-5.25,.06,;-4.48,1.4,;-2.94,1.4,;-6.79,.06,;-8.33,.07,;-9.87,.06,;-10.64,1.4,;-12.18,1.4,;-12.8,2.81,;-14.33,2.64,;-14.66,1.14,;-13.32,.37,;-12.92,-1.12,;-13.69,-2.45,;-12.92,-3.79,;-11.38,-3.79,;-10.61,-2.45,;-11.38,-1.12,;-12.72,-1.89,;-11.63,-2.98,)|
BDBM85818 CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12
BDBM85206 C[N+]1(C)CCOC(O)(C1)c1ccc(cc1)-c1ccc(cc1)C1(O)C[N+](C)(C)CCO1
BDBM85093 Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM85098 [#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O
BDBM85190 NC(=O)c1ccc(F)c2OCC(Cc12)N(C1CCC1)C1CCC1
BDBM85224 COC(=O)Nc1ccc(Cl)c(Cl)c1
BDBM86701 CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|
BDBM86702 CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|
BDBM86708 COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
BDBM86748 CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
BDBM86757 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
BDBM86694 ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
BDBM86698 CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
BDBM94507 CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
BDBM50455986 CN1CCCC[C@@H]1CC#CCN1CCCC1=O |r|
BDBM50455987 O=C1CCCN1CC#CC[C@H]1CCCCN1 |r|
BDBM50455988 O=C1CCCN1CC#CC[C@H]1CCCN1 |r|
BDBM50455981 O=C1CCCN1CC#CC[C@@H]1CCCCN1 |r|
BDBM50455982 CN1CCCC[C@H]1CC#CCN1CCCC1=O |r|
BDBM50455983 O=C1CCCN1CC#CC[C@@H]1CCCN1 |r|
BDBM50455984 CN1CCC[C@H]1CC#CCN1CCCC1=O |r|
BDBM50455985 CN1CCC[C@@H]1CC#CCN1CCCC1=O |r|
BDBM112777 [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM50456344 OC(CC=CI)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(8.21,-10.55,;8.2,-9.01,;9.52,-9.78,;11.01,-9.37,;12.1,-10.45,;12.09,-12,;8.2,-7.46,;6.88,-6.69,;9.55,-6.69,;10.32,-5.34,;10.34,-3.8,;11.68,-3.03,;13,-3.83,;12.99,-5.35,;11.65,-6.11,;11,-5.18,;10.91,-4.29,;6.85,-9.78,;5.53,-8.97,;4.19,-9.75,;4.18,-11.27,;5.53,-12.06,;6.85,-11.3,)|
BDBM50004652 CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004653 CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM50004654 CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004656 C[N+](C)(C)CCOC(N)=O
BDBM50004657 CN(C)Cc1ccc(CSCCNc2cc(F)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004658 CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004659 CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1
BDBM50004660 CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004661 CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004662 CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004663 CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004664 CN(C)Cc1ccc(CSCCNc2cc(N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004000 CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
BDBM50004665 O=C1CCCN1CC#CCN1CCCC1
BDBM50004666 C[C-](C)\N=[NH+]\c1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM50004667 CNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM50004669 CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O
BDBM50004670 CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50004673 CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+]([O-])=O)o1
BDBM50004674 CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50003359 CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
BDBM50001786 Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
BDBM50001884 CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
BDBM50001885 Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50001888 CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
BDBM50002338 CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
BDBM50001915 Clc1cccc(c1)N1CCNCC1
BDBM50005685 CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
BDBM50005686 CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
BDBM50004737 CC1CCN(CC#CCN2CCCC2)C1=O
BDBM50005843 C[C@@H]1CCC2(CN3CCC2CC3)O1 |wD:1.0,(8.15,-1.22,;7.52,-2.61,;8.29,-3.96,;7.26,-5.1,;5.85,-4.47,;5.85,-6.01,;4.5,-6.78,;3.19,-6.01,;3.19,-4.47,;4.5,-3.7,;3.99,-4.89,;5.11,-5.53,;6.01,-2.93,)|
BDBM50005844 C[C@@H]1CC2(CO1)CN1CCC2CC1 |wU:1.0,(16.56,-.55,;15.01,-.56,;13.51,-.88,;13.35,-2.41,;14.76,-3.03,;15.79,-1.89,;13.35,-3.95,;12.01,-4.72,;10.68,-3.95,;10.68,-2.41,;12.01,-1.64,;11.49,-2.82,;12.61,-3.47,)|
BDBM50005845 C[C@H]1CC2(CO1)CN1CCC2CC1 |wD:1.0,(15.64,.86,;15.01,-.56,;13.51,-.88,;13.35,-2.41,;14.76,-3.03,;15.79,-1.89,;13.35,-3.95,;12.01,-4.72,;10.68,-3.95,;10.68,-2.41,;12.01,-1.64,;11.49,-2.82,;12.61,-3.47,)|
BDBM50005846 CC1(C)OCC2(CN3CCC2CC3)O1 |(16.5,-.14,;15.01,-.56,;14.22,.79,;15.79,-1.89,;14.76,-3.03,;13.35,-2.41,;13.35,-3.95,;12.01,-4.72,;10.68,-3.95,;10.68,-2.41,;12.01,-1.64,;11.49,-2.82,;12.61,-3.47,;13.51,-.88,)|
BDBM50005548 CN1CC(c2ccccc2)c2cccc(N)c2C1
BDBM50005847 C[C@H]1CCC2(CN3CCC2CC3)O1 |wU:1.0,(16.07,-5.59,;14.53,-5.59,;15.3,-6.94,;14.28,-8.1,;12.87,-7.45,;12.87,-8.99,;11.52,-9.76,;10.2,-8.99,;10.2,-7.45,;11.52,-6.68,;11,-7.87,;12.13,-8.51,;13.03,-5.91,)|
BDBM50005848 C[C@@H]1OCC2(CN3CCC2CC3)O1 |wD:1.0,(15.15,-4.25,;14.53,-5.65,;15.3,-6.97,;14.28,-8.13,;12.87,-7.51,;12.87,-9.05,;11.53,-9.82,;10.2,-9.05,;10.2,-7.51,;11.53,-6.74,;11,-7.9,;12.13,-8.54,;13.03,-5.97,)|
BDBM50005849 C1OCC2(CN3CCC2CC3)O1 |(15.01,-.56,;15.79,-1.89,;14.76,-3.03,;13.35,-2.41,;13.35,-3.95,;12.01,-4.72,;10.68,-3.95,;10.68,-2.41,;12.01,-1.64,;11.49,-2.82,;12.61,-3.47,;13.51,-.88,)|
BDBM50005850 C[C@H]1OCC2(CN3CCC2CC3)O1 |wU:1.0,(13.51,6.12,;11.97,6.12,;12.74,4.77,;11.71,3.63,;10.3,4.26,;10.3,2.72,;8.96,1.95,;7.64,2.72,;7.64,4.26,;8.96,5.03,;8.44,3.84,;9.56,3.2,;10.46,5.8,)|
BDBM50005363 Cc1noc(n1)C1CN2CCC1C2 |TLB:4:6:12:10.9|
BDBM50005364 Cc1noc(n1)C1(C)CN2CCC1C2 |TLB:4:6:13:11.10,THB:7:6:13:11.10|
BDBM50005851 CCN(C)CC#CCN1CCCC1=O
BDBM50005854 O=C1CCCN1CC#CCN1CCC1
BDBM50005855 CNCC#CCN1CCCC1=O
BDBM50005856 CN(C)CC#CCN1CCCC1=O
BDBM50005492 CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005493 [#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1
BDBM50005494 CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005495 CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005496 CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005497 CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005498 CN(C)Cc1ccc(CSCc2ccc(cc2)-c2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
BDBM50005500 CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1
BDBM50005501 CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005502 CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1
BDBM50005503 CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1
BDBM50005504 CN(C)Cc1ccc(CSCCNCC(=NCCSCc2ccc(CN(C)C)o2)[N+]([O-])=O)o1 |w:15.15|
BDBM50005509 CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1
BDBM50005118 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
BDBM50005677 C[N+](C)(C)CC#CCN1CCCC1=O
BDBM50005680 CCN(CC)CCCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
BDBM50005681 CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
BDBM50005682 CN(C)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
BDBM50005683 CCN(CC)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
BDBM50005684 CCN(CC)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1
BDBM50004734 CC(C#CCN1CCCC1)N(C)C(C)=O
BDBM50007692 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
BDBM50008735 CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
BDBM50008064 CCN1[C@@H](Cc2cncn2C)COC1=O
BDBM50008071 Cc1ccc(C[N+](C)(C)C)o1
BDBM50008072 CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r|
BDBM50006243 C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
BDBM50006244 C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O
BDBM50006245 C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O
BDBM50006246 C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O
BDBM50006247 C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O
BDBM50006248 C[C@H]1O[C@@H](C[N+](C)(C)C)C[C@@H]1O
BDBM50007518 CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
BDBM50007534 CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)ccc1OC
BDBM50006580 CSc1nsnc1C1=CCCN(C)C1 |t:8|
BDBM50006584 C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
BDBM50010096 OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
BDBM50010097 CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)[N+]([O-])=O
BDBM50010098 CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)-n1cnnn1
BDBM50010099 CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(I)cc1
BDBM50010100 CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(N)cc1
BDBM50010101 CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
BDBM50010102 CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)C#N
BDBM50009291 CN(C)CC#CCN(C)C(C)=O
BDBM50009300 CN(CC#CCN1CCCC1)C(C)=O
BDBM50010095 CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)N1CCCC1
BDBM50453903 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(F)cc1)N2C |TLB:9:7:24:3.2|
BDBM50453907 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)C#N)N2C |TLB:9:7:25:3.2|
BDBM50453904 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(Cl)c(Cl)c1)N2C |TLB:9:7:25:2.3|
BDBM50453905 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(Br)cc1)N2C |TLB:9:7:24:3.2|
BDBM50453906 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F)N2C |TLB:9:7:27:3.2|
BDBM50453908 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(C)cc1)N2C |TLB:9:7:24:3.2|
BDBM50453909 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(OC)cc1)N2C |TLB:9:7:25:3.2|
BDBM50453910 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)N2C |TLB:9:7:26:3.2|
BDBM50453911 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)[N+]([O-])=O)N2C |TLB:9:7:26:3.2|
BDBM50453896 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(CC)cc1)N2C |TLB:9:7:25:3.2|
BDBM50453897 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(Br)cc1)c1ccc(Br)cc1)N2C |TLB:9:7:25:2.3|
BDBM50453898 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(C)cc1)c1ccc(C)cc1)N2C |TLB:9:7:25:2.3|
BDBM50453899 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(O)cc1)N2C |TLB:9:7:24:3.2|
BDBM50453900 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)C(C)(C)C)N2C |TLB:9:7:27:3.2|
BDBM50453901 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(OC)cc1)c1ccc(OC)cc1)N2C |TLB:9:7:27:2.3|
BDBM50453902 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:9:7:25:2.3|
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
BDBM50012368 CC(C)(C)OC(=O)NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1
BDBM50454935 COC(=O)[C@H]1CC2NC1CC[C@@H]2O |r,TLB:2:4:7:11.9.10,THB:12:11:7:4.5|
BDBM50012369 CC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012370 O=C(CN1CCN(CC#C)CC1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50012371 CC(=O)NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012372 NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50011851 CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|
BDBM50012327 CC(=O)NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012328 CNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1
BDBM50012329 O=C(CN1CCN(CC1)C(=O)c1ccccc1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50012330 CS(=O)(=O)N1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012331 O=C(CN1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50012332 NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012333 O=C(CN1CCN(CC1)C(=S)Nc1ccccc1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50012335 CN1CCN(CC(=O)N2c3ccc(cc3C(=O)Nc3cccnc23)S(N)(=O)=O)CC1
BDBM50012336 COc1ccccc1CNCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012337 CCN1c2cccnc2N(C(=O)CN2CCN(C)CC2)c2ccccc2C1=O
BDBM50012338 CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012339 NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012340 O=C(CN1CCN(Cc2ccccc2)CC1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50012341 CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1
BDBM50012342 NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012343 NCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012344 CCN(CC)CCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012345 NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012346 CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012348 O=C(CN1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50012349 O=C(CN1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50012350 CC(C)(C)OC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012351 NCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012352 CSc1ccc2N(C(=O)CN3CCN(C)CC3)c3ncccc3NC(=O)c2c1
BDBM50012353 NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012354 CC(=O)N1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012356 CN1CCN(CC(=O)N2c3cc(CO[Si](C)(C)C(C)(C)C)ccc3C(=O)Nc3cccnc23)CC1
BDBM50012357 O=C(CN1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50012358 CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012359 NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012360 NCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012362 CC(C)(C)OC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012363 NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1
BDBM50012364 OCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012365 ClCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012366 NCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50014247 COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
BDBM50014407 C1CN(CCN1)c1ccc2ccccc2n1
BDBM50018291 CCN(CC)CCCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018292 CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(C)cc2C(=O)Nc2cccnc12
BDBM50018293 CCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018294 CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc12
BDBM50018295 CCN(CC)CC1CCCCN1C(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018296 CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(CC)cc2C(=O)Nc2cccnc12
BDBM50018297 CN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018298 CCCCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018299 CCN(CC)CC1CCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018300 CCN(CC)CC1CCCCN1CCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018301 CCNCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018302 CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc12
BDBM50018303 CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018304 CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCCC1
BDBM50018305 CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc12
BDBM50018306 CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc12
BDBM50018307 CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018308 CCN(CC)CC1CCCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018309 O=C(CN1CCCCC1CN1CCOCC1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018310 O=C(CN1CCCCC1CN1CCCC1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018311 O=C(CN1CCCCC1CN1CCCCC1)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50018312 CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50018313 CCN(CC)CC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)C1
BDBM50018314 CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C1CCCCC1
BDBM50017721 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
BDBM50018225 CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1
BDBM50018226 CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1
BDBM50018227 CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1
BDBM50018229 CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1
BDBM50018230 CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1
BDBM50018056 CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50017666 CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
BDBM50017674 CN(C)CCOC(c1ccccc1)c1ccccc1
BDBM50015719 OCC(C(=O)OC1CC2C3OC3C(C1)N2C=N)c1ccccc1 |TLB:10:11:14:7.13.6,10:9:14:7.13.6|
BDBM50015720 CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1|
BDBM50015721 OCC(C(=O)OC1CC2CCC(C1)N2C=N)c1ccccc1
BDBM50015722 CC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
BDBM50015723 NC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
BDBM50015724 CC(=N)N1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:10:11:3:5.7.6,10:9:3:5.7.6|
BDBM50015725 CCCC[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:12:13:4:7.9.8,12:11:4:7.9.8,5:4:13.11:7.9.8,THB:14:8:13.11:4,3:4:13.11:7.9.8,(8.31,-5.85,;8.31,-7.34,;7.18,-8.25,;7.18,-9.56,;8.17,-10.66,;9.46,-9.56,;9.43,-11.94,;11.61,-11.94,;12.31,-13.99,;11.05,-12.72,;8.82,-12.72,;7.67,-13.21,;6.67,-12.41,;7.65,-12.83,;12.31,-15.16,;13.71,-15.9,;13.69,-17.41,;15.08,-15.2,;16.37,-15.99,;16.37,-17.51,;15.08,-13.69,;16.49,-13,;16.49,-11.4,;15.29,-10.61,;13.87,-11.26,;13.87,-12.86,)|
BDBM50015726 NC(=N)N1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:10:11:3:5.7.6,10:9:3:5.7.6|
BDBM50015727 C[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:9:8:1:4.6.5,9:10:1:4.6.5|
BDBM50015728 C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
BDBM50018550 O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1
BDBM50018553 Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1
BDBM50018556 O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1
BDBM50023648 CN1CCC(CC1)NC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50023649 CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc23)CC1
BDBM50023650 CN1CCC(CC1)OC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50023651 CN(C)CCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50023652 CN1CCN(CC1)NC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50023653 CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)C1
BDBM50023654 CN1CCN(CC(=O)N2c3cscc3C(=O)Nc3ccccc23)CC1
BDBM50023655 CN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50022784 CNCCC(Oc1ccccc1C)c1ccccc1
BDBM50023656 CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50023657 CN1CCN(CC1)C(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50023658 CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50023659 CN(C)CCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50023660 CN1CCN(CCC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50023661 CN(C)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50023662 CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)C1
BDBM50023694 Cn1oc2CCSCc2c1=O
BDBM50023695 COc1noc2CCN(C)Cc12
BDBM50023696 C[S+]1CCc2on(C)c(=O)c2C1
BDBM50023697 CC(C)Oc1noc2CC[S+](C)Cc12
BDBM50023698 COc1noc2CCSCc12
BDBM50023699 COc1noc2CC[N+](C)(C)Cc12
BDBM50023700 CCOc1noc2CC[S+](C)Cc12
BDBM50023702 C[S+]1CCc2onc(OCC#C)c2C1
BDBM50023703 COc1noc2CC[S+](C)Cc12
BDBM50021217 CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
BDBM50020712 [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM50021847 CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
BDBM50021850 CN(C)CCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50021895 COc1ccc2C(CN(C)Cc2c1)c1ccc(Cl)c(Cl)c1
BDBM50028066 N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
BDBM50028091 COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
BDBM50452855 [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|
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,)|
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
BDBM50003014 [I-].CC1COCC(C[N+](C)(C)C)O1
BDBM50003015 [I-].C[C@@H]1COC[C@H](C[N+](C)(C)C)O1
BDBM50034043 COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
BDBM50453895 O[C@@](C\C=C/I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:9.8,1.18,wD:1.0,(7.75,-5.56,;6.42,-6.35,;6.42,-4.81,;7.75,-4.04,;7.75,-2.5,;6.42,-1.73,;5.07,-7.12,;5.07,-8.66,;3.74,-6.33,;2.41,-7.1,;2.41,-8.64,;1.08,-9.41,;.45,-8.43,;.45,-7.29,;1.08,-6.33,;-.25,-7.1,;-.25,-8.64,;7.75,-7.12,;7.73,-8.66,;9.06,-9.43,;10.41,-8.66,;10.41,-7.12,;9.08,-6.35,)|
BDBM50031296 Cn1c2ncn(CCCN3CCC(CC3)C(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O
BDBM50031297 Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O
BDBM50031098 O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:9.8,1.18,wD:1.0,(7.75,-5.56,;6.42,-6.35,;6.42,-4.81,;7.75,-4.04,;7.75,-2.5,;9.1,-1.73,;5.07,-7.12,;5.07,-8.66,;3.74,-6.33,;2.41,-7.1,;2.41,-8.64,;1.08,-9.41,;.45,-8.43,;.45,-7.29,;1.08,-6.33,;-.25,-7.1,;-.25,-8.64,;7.75,-7.12,;7.73,-8.66,;9.06,-9.43,;10.41,-8.66,;10.41,-7.12,;9.08,-6.35,)|
BDBM50036764 O=C1c2ccccc2CCC11CCN(Cc2ccccc2)CC1
BDBM50036164 OC1(CN2CCC1CC2)c1nc2ccccc2o1 |(2.9,-13.97,;2.91,-15.51,;2.91,-17.05,;1.57,-17.71,;.24,-17.05,;.24,-15.51,;1.57,-14.74,;1.88,-15.98,;.94,-16.45,;4.38,-15.11,;4.87,-13.64,;6.42,-13.64,;7.44,-12.52,;8.93,-12.82,;9.41,-14.3,;8.38,-15.44,;6.88,-15.11,;5.64,-16.03,)|
BDBM50036165 C1CN2CCC1C(=C2)c1ccsc1 |c:7,(21.51,-6.35,;20.56,-6.82,;21.19,-8.08,;19.86,-7.43,;19.86,-5.89,;21.19,-5.11,;22.52,-5.89,;22.52,-7.43,;24.01,-5.48,;24.48,-4.02,;26.02,-4.02,;26.49,-5.49,;25.25,-6.39,)|
BDBM50036166 C1CN2CCC1C(=C2)c1cccnc1 |c:7,THB:8:6:4.3:0.1,(-3.23,-2.16,;-4,-3.38,;-2.35,-2.5,;-2.35,-1.13,;-1.52,-.29,;-1.51,-1.39,;.03,-2.32,;-.76,-3.46,;1.54,-2,;2.57,-3.14,;4.08,-2.83,;4.56,-1.36,;3.52,-.21,;2.01,-.52,)|
BDBM50036167 OC1(CN2CCC1CC2)c1nc2ccccc2s1 |(2.9,-13.97,;2.91,-15.51,;2.91,-17.05,;1.57,-17.71,;.24,-17.05,;.24,-15.51,;1.57,-14.74,;1.88,-15.98,;.94,-16.45,;4.38,-15.11,;4.87,-13.64,;6.42,-13.64,;7.44,-12.52,;8.93,-12.82,;9.41,-14.3,;8.38,-15.44,;6.88,-15.11,;5.64,-16.03,)|
BDBM50036168 OC1(CN2CCC1CC2)c1ccccn1 |(2.9,-13.98,;2.91,-15.53,;2.91,-17.07,;1.57,-17.73,;.24,-17.07,;.24,-15.53,;1.58,-14.76,;1.88,-16,;.94,-16.46,;4.39,-15.13,;5.06,-13.75,;6.6,-13.66,;7.45,-14.94,;6.77,-16.32,;5.23,-16.42,)|
BDBM50036169 C1CN2CCC1C(=C2)c1ccc[se]1 |c:7,(25.63,-.73,;24.69,-1.2,;25.31,-2.46,;23.99,-1.81,;23.99,-.26,;25.31,.51,;26.64,-.26,;26.64,-1.81,;28.12,.14,;28.6,1.6,;30.14,1.6,;30.61,.13,;29.37,-.77,)|
BDBM50036170 C1CN2CCC1C(=C2)c1nc2ccccc2s1 |c:7,(-2.89,-19.08,;-3.82,-19.55,;-3.21,-20.81,;-4.53,-20.16,;-4.53,-18.61,;-3.21,-17.82,;-1.87,-18.61,;-1.87,-20.16,;-.38,-18.19,;.1,-16.73,;1.65,-16.73,;2.68,-15.59,;4.18,-15.91,;4.67,-17.39,;3.62,-18.52,;2.12,-18.19,;.88,-19.11,)|
BDBM50005094 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H](C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
BDBM50005095 COc1ccc(CC(=O)N2CCC3(CN(C3)C(C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1
BDBM50036171 C1CN2CCC1C(C2)c1cc2ccccc2o1 |(14.72,-24.47,;13.78,-24.93,;14.4,-26.2,;13.08,-25.54,;13.08,-24,;14.4,-23.2,;15.74,-24,;15.74,-25.54,;17.23,-23.59,;17.7,-22.12,;19.25,-22.12,;20.28,-20.99,;21.77,-21.31,;22.26,-22.78,;21.21,-23.9,;19.71,-23.59,;18.47,-24.5,)|
BDBM50036172 OC1(CN2CCC1CC2)c1ccsc1 |(9.99,-3.65,;9.99,-5.19,;9.99,-6.73,;8.66,-7.38,;8.03,-6.12,;8.97,-5.65,;8.66,-4.41,;7.33,-5.19,;7.33,-6.73,;11.46,-4.78,;11.95,-3.32,;13.49,-3.32,;13.96,-4.79,;12.72,-5.69,)|
BDBM50036173 C1CN2CCC1C(=C2)c1csc2ccccc12 |c:7,(9.64,-13.75,;8.71,-14.22,;9.33,-15.48,;8.01,-14.82,;8.01,-13.28,;9.33,-12.51,;10.66,-13.28,;10.66,-14.82,;12,-12.51,;13.23,-13.45,;14.49,-12.56,;14.05,-11.09,;14.84,-9.78,;14.09,-8.43,;12.55,-8.41,;11.77,-9.71,;12.51,-11.06,)|
BDBM50036174 OC1(CN2CCC1CC2)c1cccnc1 |(2.9,-13.98,;2.91,-15.53,;2.91,-17.07,;1.57,-17.73,;.94,-16.46,;1.88,-16,;1.58,-14.76,;.24,-15.53,;.24,-17.07,;4.39,-15.13,;5.06,-13.75,;6.6,-13.66,;7.45,-14.94,;6.77,-16.32,;5.23,-16.42,)|
BDBM50036175 C1C(Oc2ccccc12)C1CN2CCC1CC2 |(11.53,-10.54,;11.06,-12,;12.31,-12.92,;13.55,-12,;15.05,-12.32,;16.1,-11.2,;15.62,-9.72,;14.12,-9.4,;13.08,-10.54,;9.56,-12.42,;9.56,-13.97,;8.22,-14.62,;7.61,-13.36,;8.54,-12.89,;8.22,-11.62,;6.9,-12.42,;6.9,-13.97,)|
BDBM50036177 OC1(CN2CCC1CC2)c1cc2ccccc2o1 |(2.9,-13.97,;2.91,-15.51,;2.91,-17.05,;1.57,-17.71,;.24,-17.05,;.24,-15.51,;1.57,-14.74,;1.88,-15.98,;.94,-16.45,;4.38,-15.11,;4.87,-13.64,;6.41,-13.64,;7.44,-12.52,;8.93,-12.82,;9.41,-14.29,;8.38,-15.44,;6.88,-15.11,;5.63,-16.02,)|
BDBM50036178 COc1ccccc1C1(O)CN2CCC1CC2 |(3,-17.89,;4.55,-17.8,;5.23,-16.42,;6.77,-16.32,;7.45,-14.94,;6.6,-13.66,;5.06,-13.75,;4.39,-15.13,;2.91,-15.53,;2.9,-13.98,;2.91,-17.07,;1.57,-17.73,;.24,-17.07,;.24,-15.53,;1.58,-14.76,;1.88,-16,;.94,-16.46,)|
BDBM50036179 C1CN2CCC1C(=C2)c1ccccn1 |c:7,(-6.91,-10.64,;-7.86,-11.11,;-7.24,-12.38,;-8.56,-11.72,;-8.56,-10.17,;-7.22,-9.38,;-5.88,-10.17,;-5.88,-11.72,;-4.4,-9.76,;-3.72,-8.38,;-2.18,-8.28,;-1.31,-9.57,;-2,-10.94,;-3.54,-11.05,)|
BDBM50036180 OC1(CN2CCC1CC2)c1cc2ccccc2s1 |(2.9,-13.97,;2.91,-15.51,;2.91,-17.05,;1.57,-17.71,;.24,-17.05,;.24,-15.51,;1.57,-14.74,;1.88,-15.98,;.94,-16.45,;4.38,-15.11,;4.87,-13.64,;6.41,-13.64,;7.44,-12.52,;8.93,-12.82,;9.41,-14.29,;8.38,-15.44,;6.88,-15.11,;5.63,-16.02,)|
BDBM50036181 C1CN2CCC1C(=C2)c1ccoc1 |c:7,(23.48,-7.58,;22.54,-8.05,;23.16,-9.31,;21.84,-8.66,;21.84,-7.12,;23.17,-6.34,;24.5,-7.12,;24.5,-8.66,;25.98,-6.72,;26.47,-5.25,;28.01,-5.25,;28.48,-6.72,;27.22,-7.63,)|
BDBM50036182 C1CN2CCC1C(=C2)c1cccs1 |c:7,(9.06,-7.61,;10.56,-8.02,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,)|
BDBM50036183 C1CN2CCC1C(=C2)c1cc2ccccc2s1 |c:7,(17.86,-23.53,;17.86,-25.08,;19.19,-25.85,;19.95,-24.52,;18.46,-24.12,;19.19,-22.75,;20.54,-23.53,;20.54,-25.08,;21.87,-22.76,;23.27,-23.39,;24.3,-22.24,;25.83,-22.25,;26.6,-20.92,;25.83,-19.59,;24.3,-19.59,;23.54,-20.91,;22.03,-21.23,)|
BDBM50036184 OC1(CN2CCC1CC2)c1cccs1 |(9.99,-3.65,;9.99,-5.19,;9.99,-6.73,;8.66,-7.38,;7.33,-6.73,;7.33,-5.19,;8.66,-4.41,;8.97,-5.65,;8.03,-6.12,;11.46,-4.78,;11.95,-3.32,;13.49,-3.32,;13.96,-4.79,;12.72,-5.69,)|
BDBM50036185 C1CN2CCC1C(=C2)c1cc2ccccc2o1 |c:7,(3.93,-23.86,;3.93,-25.41,;5.26,-26.18,;6.02,-24.84,;4.53,-24.44,;5.26,-23.08,;6.61,-23.86,;6.61,-25.41,;7.94,-23.09,;9.34,-23.71,;10.37,-22.57,;11.9,-22.57,;12.67,-21.25,;11.9,-19.91,;10.37,-19.91,;9.61,-21.23,;8.1,-21.55,)|
BDBM50036186 OC1(CN2CCC1CC2)c1csc2ccccc12 |(2.9,-13.97,;2.91,-15.51,;2.91,-17.05,;1.57,-17.71,;.24,-17.05,;.24,-15.51,;1.57,-14.74,;1.88,-15.98,;.94,-16.45,;4.38,-15.11,;4.31,-16.66,;5.76,-17.19,;6.72,-15.98,;8.25,-15.88,;8.94,-14.5,;8.07,-13.22,;6.55,-13.33,;5.87,-14.69,)|
BDBM50036187 OC1(CN2CCC1CC2)c1ccoc1 |(9.99,-3.65,;9.99,-5.19,;9.99,-6.73,;8.66,-7.38,;8.03,-6.12,;8.97,-5.65,;8.66,-4.41,;7.33,-5.19,;7.33,-6.73,;11.46,-4.78,;11.95,-3.32,;13.49,-3.32,;13.96,-4.79,;12.72,-5.69,)|
BDBM50036189 C1COC(C1)C1CN2CCC1CC2 |(14.29,-9.92,;14.75,-11.39,;13.51,-12.3,;12.27,-11.39,;12.74,-9.92,;10.78,-11.79,;10.78,-13.33,;9.44,-13.98,;8.83,-12.72,;9.77,-12.25,;9.45,-11.02,;8.13,-11.79,;8.13,-13.33,)|
BDBM50036190 C1CN2CCC1C(=C2)c1nc2ccccc2o1 |c:7,(-6.76,-24.05,;-7.7,-24.52,;-7.08,-25.79,;-8.4,-25.13,;-8.4,-23.58,;-7.08,-22.79,;-5.74,-23.58,;-5.74,-25.13,;-4.25,-23.17,;-3.77,-21.71,;-2.22,-21.71,;-1.19,-20.56,;.31,-20.88,;.8,-22.36,;-.25,-23.5,;-1.75,-23.17,;-3,-24.08,)|
BDBM50036191 C1CN2CCC1C(C2)c1ccco1 |(-6.04,-3.11,;-6.04,-4.67,;-4.73,-5.45,;-4.12,-4.17,;-5.13,-3.83,;-4.73,-2.35,;-3.38,-3.11,;-3.38,-4.67,;-2.06,-2.33,;-1.37,-.95,;.19,-1.19,;.42,-2.7,;-.96,-3.42,)|
BDBM50036193 COc1ccccc1C1=CN2CCC1CC2 |t:9,(8.93,-5.49,;10.47,-5.39,;11.15,-4.01,;12.7,-3.91,;13.37,-2.54,;12.52,-1.25,;10.99,-1.34,;10.31,-2.72,;8.83,-3.12,;8.83,-4.67,;7.49,-5.32,;6.87,-4.06,;7.8,-3.59,;7.5,-2.35,;6.16,-3.12,;6.16,-4.67,)|
BDBM50036194 Oc1ccccc1C1=CN2CCC1CC2 |t:8,(10.48,-5.39,;11.15,-4.01,;12.7,-3.91,;13.38,-2.54,;12.53,-1.25,;10.99,-1.34,;10.31,-2.72,;8.84,-3.12,;8.84,-4.67,;7.49,-5.32,;6.87,-4.06,;7.81,-3.59,;7.5,-2.35,;6.17,-3.12,;6.17,-4.67,)|
BDBM50036195 C1CN2CCC1C(=C2)c1coc2ccccc12 |c:7,(22.77,-5.83,;21.83,-6.3,;22.45,-7.56,;21.13,-6.9,;21.13,-5.36,;22.45,-4.58,;23.78,-5.36,;23.78,-6.9,;25.13,-4.59,;26.35,-5.52,;27.61,-4.64,;27.17,-3.16,;27.96,-1.85,;27.21,-.5,;25.67,-.48,;24.89,-1.78,;25.63,-3.13,)|
BDBM50036196 C1CN2CCC1C(=C2)c1ccco1 |c:7,(9.06,-7.61,;10.56,-8.02,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,)|
BDBM50035057 C1CN(CCN1)c1cccc2OCCOc12
BDBM50035131 [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
BDBM50035989 CCCSc1nsnc1C1=CCN(C)CC1 |t:10|
BDBM50035991 CCCCCSc1nsnc1C1=CCN(C)CC1 |t:12|
BDBM50035277 C#CCOc1noc2CCCNCc12
BDBM50035278 CCOc1noc2CCCNCc12
BDBM50035279 COc1noc2CCCNCc12
BDBM50034869 O[C@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CF)cc1 |wU:1.1,wD:1.0,THB:4:5:9.8:11.12,(7.07,-6.11,;6.32,-7.44,;7.84,-8,;8.09,-9.51,;9.02,-7.02,;10.47,-7.55,;11.24,-6.33,;12.94,-5.56,;14.5,-6.49,;13.7,-7.63,;12.1,-6.68,;12.1,-5.3,;12.94,-4.49,;5.53,-8.77,;6.27,-10.08,;5.5,-11.4,;3.96,-11.4,;3.19,-10.05,;3.99,-8.74,;4.98,-6.67,;3.64,-7.44,;2.32,-6.67,;2.32,-5.13,;.97,-4.36,;.97,-2.82,;3.64,-4.34,;4.98,-5.11,)|
BDBM50034870 O[C@@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(I)cc1 |wU:1.1,wD:1.0,TLB:4:5:9.8:11.12,(14.81,-13.95,;14.05,-15.3,;15.58,-15.87,;15.83,-17.37,;16.74,-14.88,;18.18,-15.42,;19.63,-15.56,;21.09,-16.73,;20.96,-18.54,;19.58,-18.33,;19.72,-16.49,;20.94,-15.88,;22.05,-16.23,;12.7,-14.53,;12.7,-12.98,;11.38,-12.21,;10.04,-12.99,;10.04,-14.53,;11.38,-15.3,;13.27,-16.61,;11.71,-16.58,;10.93,-17.92,;11.68,-19.26,;10.9,-20.59,;13.24,-19.27,;14.02,-17.95,)|
BDBM50034871 O[C@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CCF)cc1 |wU:1.1,wD:1.0,THB:4:5:9.8:11.12,(7.07,-6.11,;6.32,-7.44,;7.84,-8,;8.09,-9.51,;9.03,-7.03,;10.47,-7.55,;11.24,-6.33,;12.94,-5.56,;14.5,-6.49,;13.7,-7.64,;12.1,-6.68,;12.1,-5.3,;12.94,-4.49,;5.53,-8.77,;3.99,-8.74,;3.19,-10.05,;3.96,-11.4,;5.5,-11.4,;6.27,-10.08,;4.98,-6.67,;3.64,-7.44,;2.32,-6.67,;2.32,-5.13,;.97,-4.36,;.97,-2.82,;-.34,-2.05,;3.64,-4.34,;4.98,-5.11,)|
BDBM50034872 O[C@@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CCCF)cc1 |wU:1.1,wD:1.0,THB:4:5:9.8:11.12,(6.11,-5.14,;5.36,-6.48,;6.88,-7.04,;7.13,-8.54,;8.06,-6.06,;9.51,-6.59,;10.28,-5.37,;11.98,-4.6,;13.54,-5.53,;12.74,-6.67,;11.14,-5.72,;11.14,-4.34,;11.98,-3.53,;4.02,-5.71,;4.02,-4.15,;2.67,-3.38,;1.36,-4.17,;1.36,-5.71,;2.67,-6.48,;4.57,-7.81,;5.3,-9.12,;4.53,-10.44,;2.99,-10.44,;2.19,-11.77,;.65,-11.75,;-.12,-13.07,;-1.66,-13.06,;2.22,-9.09,;3.03,-7.77,)|
BDBM50034873 O[C@@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CF)cc1 |wU:1.1,wD:1.0,TLB:4:5:9.8:11.12,(30.54,-13.96,;29.8,-15.3,;31.31,-15.85,;31.57,-17.36,;32.5,-14.88,;33.94,-15.41,;35.38,-15.55,;36.83,-16.72,;36.7,-18.54,;35.32,-18.32,;35.47,-16.49,;36.69,-15.88,;37.79,-16.24,;28.46,-14.53,;27.11,-15.3,;25.8,-14.53,;25.8,-12.99,;27.11,-12.2,;28.46,-12.97,;29,-16.62,;27.46,-16.59,;26.66,-17.91,;27.43,-19.25,;26.63,-20.59,;25.09,-20.57,;28.97,-19.28,;29.76,-17.94,)|
BDBM50034874 O[C@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(I)cc1 |wU:1.1,wD:1.0,THB:4:5:9.8:11.12,(7.07,-6.11,;6.32,-7.44,;7.84,-8,;8.09,-9.51,;9.02,-7.02,;10.47,-7.55,;11.24,-6.33,;12.94,-5.56,;14.5,-6.49,;13.7,-7.63,;12.1,-6.68,;12.1,-5.3,;12.94,-4.49,;5.53,-8.77,;3.99,-8.74,;3.19,-10.05,;3.96,-11.4,;5.5,-11.4,;6.27,-10.08,;4.98,-6.67,;3.64,-7.44,;2.32,-6.67,;2.32,-5.13,;.97,-4.36,;3.64,-4.34,;4.98,-5.11,)|
BDBM50034875 O[C@@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CCF)cc1 |wU:1.1,wD:1.0,THB:4:5:9.8:11.12,(6.11,-5.14,;5.36,-6.48,;6.88,-7.04,;7.13,-8.54,;8.06,-6.06,;9.51,-6.59,;10.28,-5.37,;11.98,-4.6,;13.54,-5.53,;12.74,-6.67,;11.14,-5.72,;11.14,-4.34,;11.98,-3.53,;4.02,-5.71,;2.67,-6.48,;1.36,-5.71,;1.36,-4.17,;2.67,-3.38,;4.02,-4.15,;4.57,-7.81,;5.3,-9.12,;4.53,-10.44,;2.99,-10.44,;2.19,-11.77,;.65,-11.75,;-.12,-13.07,;2.22,-9.09,;3.03,-7.77,)|
BDBM50034625 CC(=O)OC1CN2CCC1CC2 |(10.76,-5.27,;9.32,-4.51,;9.32,-2.9,;7.94,-5.34,;6.53,-4.61,;6.53,-3.08,;5.18,-2.29,;4.35,-3.24,;4.35,-4.51,;5.2,-5.39,;3.85,-4.62,;3.85,-3.08,)|
BDBM50034651 CC1OC2(CC1=O)CCN(C)CC2
BDBM50040241 CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12 |t:8|
BDBM50003016 [I-].C[C@H]1COC[C@H](C[N+](C)(C)C)O1
BDBM50039184 CCN(CC)CCOCCNCC1(CCCC1)c1ccccc1
BDBM50039185 CCN(CC)CCOCCNC(=O)C1(CCCC1)c1ccccc1
BDBM50039186 Clc1ccc(cc1Cl)C1(CCCCC1)C(=O)OCOCCN1CCCC1
BDBM50039187 CCN(CC)CCOCCOC(=O)C1(CC1)c1ccccc1
BDBM50039188 CCN(CC)CCOCCOC(=O)C1(CCCCC1)c1ccccc1
BDBM50039189 CCN(CC)CCOCOC(=O)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
BDBM50039190 CCN(CC)CCOCCOCC1(CCCC1)c1ccccc1
BDBM50039191 CCN(CC)CCOCNC(=O)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
BDBM50039192 CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccc(OC)cc1
BDBM50039193 CCN(CC)CCOCCN(C)CC1(CCCC1)c1ccccc1
BDBM50039195 CCN(CC)CCOCCOC(=O)C(C)c1ccccc1
BDBM50039196 CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccc(Cl)cc1
BDBM50039198 Clc1ccc(cc1Cl)C1(CCCCC1)C(=O)NCOCCN1CCOCC1
BDBM50039199 Clc1ccc(cc1Cl)C1(CCCCC1)C(=O)OCOCCN1CCOCC1
BDBM50038707 [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
BDBM50038718 O=C(OCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
BDBM50005343 COc1ccc(CC(=O)N2CCC3(CN(C3)C(C)c3ccc(cc3)-c3ncccn3)CC2)nc1
BDBM50005339 COc1ccc(CC(=O)N2CCC3(CN(C3)C3CCc4cc(ccc34)-c3nccs3)CC2)nc1
BDBM50005341 COc1ccc(CC(=O)N2CCC3(CN(C3)C3CCc4cc(ccc34)-c3ncccn3)CC2)nc1
BDBM50005342 COc1ccc(CC(=O)N2CCC3(CN(C3)C3CCc4cc(ccc34)-c3ncccn3)CC2)cc1
BDBM50038210 CCn1nnc(n1)C1=CCCN(C)C1 |t:8|
BDBM50038212 CCN1C(=O)CC2(CCN(C)CC2)C1=O
BDBM50038213 C=CCn1ncc(n1)C1CCCNC1
BDBM50038224 CCn1ncc(n1)C1=CCCN(C)C1 |t:8|
BDBM50038226 CCn1nnc(n1)C1=CCCNC1 |t:8|
BDBM50038235 CCn1ncc(n1)C1=CCCNC1 |t:8|
BDBM50042462 C[C@@H]1CN(CC#CCN(C)C)C(=O)C1
BDBM50042463 C[C@@H]1CN(CC#CCN2CCCC2)C(=O)C1
BDBM50042464 C[C@@H]1CCN(CC#CCN2CCCC2)C1=O
BDBM50042465 C[C@@H]1CN(CC#CC[N+](C)(C)C)C(=O)C1
BDBM50042466 CC1CCN(CC#CCN(C)C)C1=O
BDBM50042467 C[C@H]1CCN(CC#CCN2CCCC2)C1=O
BDBM50042468 C[C@H]1CCN(CC#CCN(C)C)C1=O
BDBM50042469 C[C@@H]1CCN(CC#CCN(C)C)C1=O
BDBM50042470 O=C1CCCN1CC#CCN1CCCCC1
BDBM50042471 C[C@H]1CN(CC#CCN(C)C)C(=O)C1
BDBM50042472 C[C@H]1CN(CC#CCN2CCCC2)C(=O)C1
BDBM50042473 C[C@H]1CN(CC#CC[N+](C)(C)C)C(=O)C1
BDBM50005096 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C(C)C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
BDBM50041516 CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OC)cc2)cc1
BDBM50041517 Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCCc2ccccc2)cc1
BDBM50041518 CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
BDBM50041520 O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1
BDBM50041524 COc1ccc(CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
BDBM50041525 CCC[n+]1ccc(\C=N\OCc2c(Cl)cccc2Cl)cc1
BDBM50044702 CCN1C(=S)OC2(CCN(C)CC2)C1=O
BDBM50044692 CN1CCC2(CC1)OC(=S)N(C2=O)C(C)(C)C
BDBM50044696 CCN1C(=O)OC2(CCN(C)CC2)C1=O
BDBM50048803 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
BDBM50048866 COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
BDBM50048580 CCCN(c1ccncc1)n1ccc2ccccc12
BDBM50048392 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
BDBM50052180 COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1
BDBM50055976 C[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,wD:12.13,7.10,TLB:9:7:2.3:6.5,(13.94,-4.53,;13.94,-2.99,;14.71,-1.66,;13.24,-1.26,;14.01,.06,;15.34,-.72,;15.34,-2.26,;12.68,-.71,;12.68,-2.25,;11.35,.06,;10.02,-.71,;10.02,-2.26,;8.66,.09,;9.46,1.42,;7.33,.86,;6,.09,;4.67,.86,;4.67,2.4,;6,3.17,;7.33,2.4,;7.89,-1.27,;6.35,-1.27,;5.58,-2.6,;6.35,-3.94,;7.89,-3.95,;8.66,-2.62,)|
BDBM50056101 Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|
BDBM50055978 C[N+]1(C)CCC(CC1)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1
BDBM50061702 CO\N=C\[C@H]1C[N@@]2CC[C@H]1C2
BDBM50061705 CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|
BDBM50061706 CO\N=C(/C#N)C12CCN(CC1)C2
BDBM50061707 CO\N=C(/C#N)C12CCN(C1)CCC2
BDBM50061710 CO\N=C(/C#N)[C@@H]1C[N@@]2CC[C@H]1C2
BDBM50061719 CO\N=C(/C#N)[C@H]1C[N@@]2CC[C@H]1C2
BDBM50061722 C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1
BDBM50062447 CN1CCN(CC1)c1ccc(nn1)-c1ccccc1
BDBM50062449 CN1CCN(CC1)c1nncc2ccccc12
BDBM50062451 CN1CCN(CC1)c1cc(cnn1)-c1ccccc1
BDBM50062155 CN1CCC2=C(C1)c1nsnc1SC2 |c:4|
BDBM50062157 C1Cc2ccc3nsnc3c2CN1
BDBM50062158 CSc1nsnc1C1=C(C)CCN(C)C1 |c:8|
BDBM50062598 OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1
BDBM50062450 CN1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12
BDBM50062614 CN(C)CCOC(c1ccccc1)c1ccccc1C
BDBM50060582 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
BDBM50065204 Clc1ccccc1C#CCO\N=C1/CN2CCC1C2
BDBM50065205 C#CCC#CCO\N=C1/CN2CCC1C2
BDBM50065206 Clc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
BDBM50065207 C\C(=C\CO\N=C1/CN2CCC1C2)C#C
BDBM50065208 Fc1ccccc1C#CCO\N=C1/CN2CCC1C2
BDBM50065209 C#C\C=C\CO\N=C1/CN2CCC1C2
BDBM50065210 C#CCC#CCC#CCO\N=C1/CN2CCC1C2
BDBM50065211 COc1ccccc1C#CCO\N=C1/CN2CCC1C2
BDBM50065212 C(O\N=C1/CN2CCC1C2)C#Cc1cccs1
BDBM50065213 C#CCO\N=C1/CN2CCC1C2
BDBM50065214 Fc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2
BDBM50065215 CO\N=C1/CN2CCC1C2
BDBM50065216 Clc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2
BDBM50065217 [O-][N+](=O)c1cccc(c1)C#CCO[N-][C+]1CN2CCC1C2
BDBM50065218 C(O\N=C1/CN2CCC1C2)C#Cc1ccsc1
BDBM50065219 C=CCO\N=C1/CN2CCC1C2
BDBM50065220 COc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2
BDBM50065221 C\C(=C/CO\N=C1/CN2CCC1C2)C#C
BDBM50065222 Fc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
BDBM50065223 COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
BDBM50065224 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]\[#7]=[#6]-1/[#6]-[#7]-2-[#6]-[#6]-[#6]-1-[#6]-2
BDBM50065225 Cc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2
BDBM50065226 C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccccc1
BDBM50065227 C(O\N=C1/CN2CCC1C2)C#Cc1ccccc1
BDBM50064609 CC(=O)OC1CC2CCCC1N2 |TLB:3:4:11:9.8.7|
BDBM50064612 CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
BDBM50064613 COC(=O)C1CC2CCCC1N2 |THB:2:4:11:9.8.7|
BDBM50064171 C(N1CCC2(CC1)CCc1ccccc1O2)c1ccccc1
BDBM50064172 C(N1CCC2(CC1)CCc1ccccc1S2)c1ccccc1
BDBM50064173 O=S1(=O)c2ccccc2CCC11CCN(Cc2ccccc2)CC1
BDBM50064175 O=S1c2ccccc2CCC11CCN(Cc2ccccc2)CC1
BDBM50064176 COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
BDBM50064187 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 |TLB:16:15:1:10.4.3|
BDBM50064188 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1 |TLB:16:15:1:10.4.3|
BDBM50064189 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)C |TLB:16:15:1:10.4.3|
BDBM50064190 CCN(CC)CCN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15|
BDBM50064191 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCC1 |TLB:16:15:1:10.4.3|
BDBM50064193 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCC1 |TLB:16:15:1:10.4.3|
BDBM50064194 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNC1CCCCC1 |TLB:16:15:1:10.4.3|
BDBM50069447 CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
BDBM50073499 CCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:8|
BDBM50073500 CCN1CC[C@H]([C@H](C1)C(=O)OC1CCCCC1)c1ccccc1
BDBM50073501 CCN1CCC(=C(C1)C(=O)OCCc1ccc(C)cc1)c1ccccc1 |c:5|
BDBM50073503 CCN1CCC(=C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:5|
BDBM50073504 CCN1CC=C(C(C1)C(=O)OCC(C)C)c1ccccc1 |c:4|
BDBM50073444 Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
BDBM50073449 CCN1CCC(=C(C1)C(=O)OCCCc1ccccc1)c1ccccc1 |c:5|
BDBM50073472 CCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:6|
BDBM50073473 CCN1CC=C(C(C1)C(=O)OCCc1ccc(C)cc1)c1ccccc1 |c:4|
BDBM50073474 CCN1CCC(=C(C1)C(=O)Oc1ccccc1)c1ccccc1 |c:5|
BDBM50073475 CCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:11|
BDBM50073476 CCN1CC=C(C(C1)C(=O)OCCC1CCCCC1)c1ccccc1 |c:4|
BDBM50073477 CCN1CCC(=C(C1)C(=O)OCCC1CCCCC1)c1ccccc1 |c:5|
BDBM50073478 CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:5|
BDBM50073479 CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:4|
BDBM50073480 CCN1CC=C(C(C1)C(=O)OCCCCCc1ccccc1)c1ccccc1 |c:4|
BDBM50073481 CCN1CCC(=C(C1)C(=O)OCC(C)C)c1ccccc1 |c:5|
BDBM50073482 CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:14|
BDBM50073483 CCN1CC[C@H]([C@H](C1)C(=O)OCCc1ccccc1)c1ccccc1
BDBM50073484 CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:12|
BDBM50073485 CCN1CCC(=C(C1)C(=O)OCCCC1CCCCC1)c1ccccc1 |c:5|
BDBM50073486 CCN1CC=C(C(C1)C(=O)OCCCc1ccccc1)c1ccccc1 |c:4|
BDBM50073487 CCCCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:13|
BDBM50073488 CCN1CC=C(C(C1)C(=O)OCc1ccccc1)c1ccccc1 |c:4|
BDBM50073489 CCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:5|
BDBM50073490 CCN1CCC(=C(C1)C(=O)OCc1ccccc1)c1ccccc1 |c:5|
BDBM50073491 CCN1CC=C(C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:4|
BDBM50073492 CCN1CCC(=C(C1)C(=O)OCCc1ccccc1)c1ccccc1 |c:5|
BDBM50073450 CCN1CC=C(C(C1)C(=O)OC)c1ccccc1 |c:4|
BDBM50073451 CCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:7|
BDBM50073452 CCN1CC=C(C(C1)C(=O)Oc1ccccc1)c1ccccc1 |c:4|
BDBM50073453 CCN1CC[C@H]([C@@H](C1)C(=O)OC1CCCCC1)c1ccccc1
BDBM50073454 CCN1CCC(=C(C1)C(=O)OCC1CCCCC1)c1ccccc1 |c:5|
BDBM50073455 CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:19|
BDBM50073456 CCN1CC=C(C(C1)C(=O)OCC(c1ccccc1)c1ccccc1)c1ccccc1 |c:4|
BDBM50073457 CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:15|
BDBM50073493 CCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:5|
BDBM50073495 CCN1CC=C(C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:4|
BDBM50073458 CCN1CCC(=C(C1)C(=O)OC)c1ccccc1 |c:5|
BDBM50073459 CCN1CC=C(C(C1)C(=O)OCCCC1CCCCC1)c1ccccc1 |c:4|
BDBM50073496 CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:17|
BDBM50073497 CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:16|
BDBM50073498 CCN1CC=C(C(C1)C(=O)OCC1CCCCC1)c1ccccc1 |c:4|
BDBM50073460 CCN1CCC(=C(C1)C(=O)OCCCCCc1ccccc1)c1ccccc1 |c:5|
BDBM50073461 CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:18|
BDBM50073462 CCCCCc1noc(n1)C1CN(CC)CC=C1c1ccccc1 |c:17|
BDBM50073463 CCN1CCC(=C(C1)C(=O)OCC(c1ccccc1)c1ccccc1)c1ccccc1 |c:5|
BDBM50073464 CCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:9|
BDBM50073465 CCCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:12|
BDBM50073466 CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:13|
BDBM50073467 CCN1CC=C(C(C1)C(=O)OCCc1ccccc1)c1ccccc1 |c:4|
BDBM50073468 CCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:10|
BDBM50073469 CCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
BDBM50073470 CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1
BDBM50073471 CCCCCc1noc(n1)C1=C(CCN(CC)C1)c1ccccc1 |t:11|
BDBM50072214 C(Oc1nsnc1[C@H]1CN2CCC1C2)C#Cc1ccccc1
BDBM50072215 CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1 |c:4|
BDBM50072220 C(Oc1nsnc1[C@@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
BDBM50072224 C(Sc1nsnc1[C@@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
BDBM50072225 C(Sc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
BDBM50072226 C(Oc1nsnc1[C@@H]1CN2CC[C@H]1C2)C#Cc1ccccc1
BDBM50072227 C(Oc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
BDBM50072228 C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1 |(14.79,-5.45,;13.26,-5.32,;12.37,-6.6,;12.89,-8.07,;11.66,-9,;10.38,-8.12,;10.82,-6.64,;9.88,-5.4,;8.44,-5.96,;7.22,-5.01,;8.49,-3.99,;8.96,-4.86,;10.1,-3.86,;8.91,-2.91,;7.44,-3.72,;15.47,-6.86,;16.24,-8.18,;16.99,-9.52,;18.54,-9.52,;19.29,-10.85,;18.51,-12.2,;16.98,-12.2,;16.22,-10.85,)|
BDBM50072229 C(Sc1nsnc1[C@@H]1C[N@@]2CC[C@H]1C2)C#Cc1ccccc1
BDBM50071169 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12
BDBM50071170 CCOC(=O)c1c[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50071171 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50071172 CCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50071173 C[C@H]1OC(=O)C2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)C12
BDBM50071174 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Oc6ccccc6)ccc45)Cc3c12
BDBM50071175 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cccc(C)c45)Cc3c12
BDBM50071176 COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12
BDBM50071177 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(C)ccc45)Cc3c12
BDBM50071178 COc1ccc2C3Oc4ccc5[nH]c(C)cc5c4CN3CCc2c1
BDBM50071179 COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50071180 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccc(OC)cc45)Cc3c12
BDBM50071181 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)c(OC)cc45)Cc3c12
BDBM50071182 CCOC(=O)c1c[nH]c2ccc3OC4N(CCc5cc(OC)c(OC)cc45)Cc3c12
BDBM50071184 COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OC(C)C)c5c4CN3CCc2c1
BDBM50071185 COc1cc2CCN3Cc4c(OC3c2cc1OC)ccc1[nH]c(C)cc41
BDBM50071186 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OCC)ccc45)Cc3c12
BDBM50076075 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3C)[C@@H]12
BDBM50076076 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCSCC3)[C@@H]12
BDBM50076077 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCOCC3)[C@@H]12
BDBM50076078 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CC(C)NC(C)C3)[C@@H]12
BDBM50076079 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CC(C)NCC3C)[C@@H]12
BDBM50076080 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(O)C3)[C@@H]12
BDBM50076081 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN[C@@H](C)C3)[C@@H]12
BDBM50076082 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)C3)[C@@H]12
BDBM50076083 CCC1CCCCN1CCC[C@H]1[C@H]2[C@H](C)OC(=O)[C@H]2C[C@H]2CCCC[C@H]12
BDBM50076084 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12
BDBM50076085 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12
BDBM50076086 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCc4ccccc4C3)[C@@H]12
BDBM50076087 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CC(C)OC(C)C3)[C@@H]12
BDBM50076088 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCNC34CC5CC(CC(C5)C3)C4)[C@@H]12 |TLB:25:20:27:24.26.23,25:24:27:20.19.21,THB:23:24:19:22.27.21,23:22:19:24.26.25|
BDBM50076089 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
BDBM50076090 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC34)[C@@H]12
BDBM50076091 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12
BDBM50076092 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCNCC3)[C@@H]12
BDBM50076093 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(CC3)N3CCCCC3)[C@@H]12
BDBM50076094 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(C)CC3)[C@@H]12
BDBM50076095 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(CC3)C(=O)OC(C)(C)C)[C@@H]12
BDBM50076096 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3)[C@@H]12
BDBM50076097 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(O)CC3)[C@@H]12
BDBM50076098 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(CC3)C3CCCCC3)[C@@H]12
BDBM50076099 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN[C@H](C)C3)[C@@H]12
BDBM50075360 COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50074552 C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
BDBM50074553 O=C1N(CCC[n+]2ccc(CCc3cc[n+](CCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074554 O=C1N(CCCC[n+]2ccc(CCc3cc[n+](CCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074555 C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50074556 O=C1N(CO\N=C\c2cc[n+](CCC[n+]3ccc(\C=N\OCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074557 O=C1N(CCCO\N=C\c2cc[n+](CCC[n+]3ccc(\C=N\OCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074558 C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50074559 C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50074560 C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50074561 O=C1N(C[n+]2ccc(CCCc3cc[n+](CN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074562 O=C1N(CO\N=C\c2cc[n+](CCCC[n+]3ccc(\C=N\OCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074563 O=C1N(CO\N=C\c2cc[n+](CCCCCC[n+]3ccc(\C=N\OCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074564 C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50074565 O=C1N(CCC[n+]2ccc(CCCc3cc[n+](CCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074566 O=C1N(CCCC[n+]2ccc(cc2)-c2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)C(=O)c2ccccc12
BDBM50074567 O=C1N(CCCO\N=C\c2cc[n+](CCCCC[n+]3ccc(\C=N\OCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074568 O=C1N(CCCO\N=C\c2cc[n+](CCCC[n+]3ccc(\C=N\OCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074569 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50074570 O=C1N(CC[n+]2ccc(CCCc3cc[n+](CCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074571 O=C1N(CCCO\N=C\c2cc[n+](CCCCCC[n+]3ccc(\C=N\OCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074572 O=C1N(CCCC[n+]2ccc(CCCc3cc[n+](CCCCN4C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc12
BDBM50074573 C[N+](C)(CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50079527 CN(C)CC\C=C1\c2ccccc2COc2ccccc12
BDBM50079583 CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 |TLB:13:14:20:18.17|
BDBM50079584 CCCCCCOc1nccnc1OC1CN2CCC1C2 |THB:13:14:20:18.17|
BDBM50079714 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1
BDBM50079590 C1CN2CC1[C@@H](C2)Oc1cnccn1 |THB:7:5:3:0.1|
BDBM50082333 O=C(CSCC1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50082334 O=C(CNCC1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50082335 O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc12
BDBM50082336 Cc1cc(ccc1NC(=O)CC1CCCN2CCCC[C@H]12)C(=O)c1ccccc1
BDBM50082338 O=C(CC1CCCN2CCCCC12)N1c2ccccc2NC(=O)c2cccnc12
BDBM50081082 Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1
BDBM50084051 CN1C2CCC1C=C(C2)c1ccc(Cl)nc1 |c:7,THB:9:7:1:4.3|
BDBM50084054 CN1CCC=C(C1)c1ccc(Cl)nc1 |c:4|
BDBM50083651 CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1
BDBM50083652 CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1
BDBM50084959 CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1
BDBM50089786 O=C(OC1CC2CCCC1N2)c1ccccc1 |THB:2:3:10:8.7.6|
BDBM50089787 CN1C2CC(OC(=O)c3ccccc3)C1CCC2 |TLB:5:4:1:15.17.16|
BDBM50089788 O=C(OC1CC2CCCC1N2)C1CCCCC1 |THB:2:3:10:8.7.6|
BDBM50089789 CCC(=O)OC1CC2CCCC1N2C |THB:4:5:12:10.8.9|
BDBM50089790 CN1C2CC(OC(=O)C3CCCCC3)C1CCC2 |TLB:5:4:1:15.17.16|
BDBM50089791 [O-][N+](=O)c1ccc(cc1)C(=O)OC1CC2CCCC1N2 |THB:11:12:19:17.16.15|
BDBM50089794 CN1C2CC(OC(=O)OCC(Cl)(Cl)Cl)C1CCC2 |TLB:5:4:1:15.17.16|
BDBM50089797 CCC(=O)OC1CC2CCCC1N2 |THB:4:5:12:10.9.8|
BDBM50093888 [O-][N+](=O)c1ccc(C[N+]23CCC45[C@@H]2C[C@@H]2[C@@H]6[C@@H]4N([C@@H]4OCC=C7C[N+]8(Cc9ccc(cc9)[N+]([O-])=O)CCC9%10[C@@H]8C[C@@H]7[C@@H]4[C@@H]9N([C@@H]6OCC=C2C3)c2ccccc%102)c2ccccc52)cc1 |c:55,t:23|
BDBM50093889 Brc1ccc(C[N+]23CCC45[C@@H]2C[C@@H]2[C@@H]6[C@@H]4N([C@@H]4OCC=C7C[N+]8(Cc9ccc(Br)cc9)CCC9%10[C@@H]8C[C@@H]7[C@@H]4[C@@H]9N([C@@H]6OCC=C2C3)c2ccccc%102)c2ccccc52)cc1 |c:51,t:21|
BDBM50093890 FC(F)(F)c1ccc(C[N+]23CCC45[C@@H]2C[C@@H]2[C@@H]6[C@@H]4N([C@@H]4OCC=C7C[N+]8(Cc9ccc(cc9)C(F)(F)F)CCC9%10[C@@H]8C[C@@H]7[C@@H]4[C@@H]9N([C@@H]6OCC=C2C3)c2ccccc%102)c2ccccc52)cc1 |c:57,t:24|
BDBM50093891 C[N+]12CCC34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(C)CCC89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41 |c:38,t:16|
BDBM50093892 C1CC23[C@@H]4C[C@@H]5[C@@H]6[C@@H]2N([C@@H]2OCC=C7CN8CCC9%10[C@@H]8C[C@@H]7[C@@H]2[C@@H]9N([C@@H]6OCC=C5CN14)c1ccccc%101)c1ccccc31 |c:34,t:13|
BDBM50093893 C#CC[N+]12CCC34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(CC#C)CCC89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41 |c:42,t:18|
BDBM50093894 O=C1N(CCC[N+]23CCC45[C@@H]2C[C@@H]2[C@@H]6[C@@H]4N([C@@H]4OCC=C7C[N+]8(CCCN9C(=O)c%10ccccc%10C9=O)CCC9%10[C@@H]8C[C@@H]7[C@@H]4[C@@H]9N([C@@H]6OCC=C2C3)c2ccccc%102)c2ccccc52)C(=O)c2ccccc12 |c:58,t:21|
BDBM50093895 C(c1ccc2ccccc2c1)[N+]12CCC34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(Cc8ccc9ccccc9c8)CCC89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41 |c:62,t:28|
BDBM50093896 C=CC[N+]12CCC34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(CC=C)CCC89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41 |c:42,t:18|
BDBM50093898 COc1ccc(C[N+]23CCC45[C@@H]2C[C@@H]2[C@@H]6[C@@H]4N([C@@H]4OCC=C7C[N+]8(Cc9ccc(OC)c(OC)c9)CCC9%10[C@@H]8C[C@@H]7[C@@H]4[C@@H]9N([C@@H]6OCC=C2C3)c2ccccc%102)c2ccccc52)cc1OC |c:55,t:22|
BDBM50093899 CCC[N+]12CCC34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(CCC)CCC89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41 |c:42,t:18|
BDBM50094703 Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50095112 CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50095113 CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50095114 CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50095096 CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(SCCCS1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50095097 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(SCCS1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50095098 CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50095099 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(CCCO1)c1ccc(cc1)S(=O)c1ccc2OCOc2c1
BDBM50095100 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=O)c1ccc(cc1)S(=O)c1ccc2OCOc2c1
BDBM50095101 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(SCCS1)c1ccc(cc1)S(=O)c1ccc2OCOc2c1
BDBM50095102 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)c1ccc2OCOc2c1
BDBM50095103 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(CCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50095104 CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(O[C@@H](C)[C@H](C)O1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50095105 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50095106 CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(SCCS1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50095107 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(O[C@H](C)[C@@H](C)O1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50095108 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50095109 CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50095110 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(O[C@H](C)[C@@H](C)O1)c1ccc(cc1)S(=O)c1ccc2OCOc2c1
BDBM50095111 CCOC(=O)N1CCC(CC1)N1CCC(CC1)C1(O[C@H](C)[C@@H](C)O1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50094670 CCCN(CCC)C1Cc2c[nH]c3ccc(C(C)=O)c(C1)c23
BDBM50092957 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1
BDBM50092958 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50092959 CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50092960 CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50092961 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)C(C)C
BDBM50092962 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCC(C)C
BDBM50092963 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCc1ccccc1
BDBM50092964 COC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50092965 CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50092966 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)Cc1ccccc1
BDBM50092967 CCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50092968 CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50092969 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C1CC1
BDBM50092970 CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50092971 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C(C)C
BDBM50092972 CCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50092973 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OC(C)C
BDBM50092974 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1
BDBM50092975 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)Cc1ccccc1
BDBM50092983 CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
BDBM50092984 CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
BDBM50092985 COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C(N)=O
BDBM50092986 COc1ccc(cc1)S(=O)c1ccc(cc1)C(C1CCCCC1)N1CCN(CC1)C1CCCCC1
BDBM50092987 CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
BDBM50092988 CC(N1CCN(C)CC1)c1ccc(cc1)S(=O)(=O)c1ccccc1
BDBM50092989 CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccccc1
BDBM50092990 CC(N1CCNCC1)c1ccc(cc1)S(=O)(=O)c1ccccc1
BDBM50092991 CCOC(=O)N1CCN(CC1)C(C)c1ccc(cc1)S(=O)(=O)c1ccccc1
BDBM50092992 CC(N1CCN(CCO)CC1)c1ccc(cc1)S(=O)(=O)c1ccccc1
BDBM50092993 COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C(F)(F)F
BDBM50092994 CC(N1CCN(CC1)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccccc1
BDBM50092995 CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(C)cc1
BDBM50092996 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
BDBM50092313 COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1
BDBM50092314 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1
BDBM50092315 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1
BDBM50092317 COc1ccc(cc1)S(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
BDBM50092319 COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
BDBM50092320 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1
BDBM50092321 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1
BDBM50092322 COc1ccc(Sc2ccc(cc2)C(=C)C2CCN(CC2)C2CCCCC2)cc1
BDBM50098075 CCOC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50098076 O=C(COc1ccccc1)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50098077 O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1ccnc2ccccc12
BDBM50098078 O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1cccc2cccnc12
BDBM50098079 Cc1cccc(C(=O)N2CCC(CC2)N2CCC(CC2)Oc2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)c1C
BDBM50098080 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50098081 CCOCC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50098082 CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50098083 O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1cccc2ncccc12
BDBM50098084 O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1cccc2ccccc12
BDBM50098085 O=S(=O)(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1cccc2ccccc12
BDBM50098086 Cc1ccsc1C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50098087 O=C(N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)c1ccccc1
BDBM50098088 CC(C)S(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50098089 CC(C)OC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50098090 O=S(=O)(Cc1ccccc1)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50098091 O=C(Oc1ccccc1)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50098092 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50098093 CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50095653 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2cccc(F)c2)CC1)c1ccccc1
BDBM50095654 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1
BDBM50095655 Nc1ccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)cc1
BDBM50095656 Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
BDBM50095657 Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1
BDBM50095658 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(CC2CCCCC2)CC1)c1ccccc1
BDBM50095659 Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1
BDBM50095660 Cc1cccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)n1
BDBM50095661 OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50095662 Cc1cccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)c1
BDBM50095663 OC(C1CCCC1)(C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1
BDBM50095664 Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
BDBM50095665 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccoc2)CC1)c1ccccc1
BDBM50095666 OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1
BDBM50095667 OC(C1CCCC1)(C(=O)NC1CCN(CC2CCCCCCC2)CC1)c1ccccc1
BDBM50095668 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1
BDBM50095669 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@H]-1-[#6]-[#6]-[#6@H](F)-[#6]-1)c1ccccc1
BDBM50095670 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50095671 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1
BDBM50095672 OC(C1CCCC1)(C(=O)NC1CCN(CC2CCCCCC2)CC1)c1ccccc1
BDBM50095673 OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1
BDBM50095674 NCc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
BDBM50095675 COc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
BDBM50095676 Cc1ccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1
BDBM50095677 OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1
BDBM50095678 OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccoc2)CC1)c1ccccc1
BDBM50095679 Oc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
BDBM50095680 Cc1cc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cs1
BDBM50095681 Cc1ccccc1CN1CCC(CC1)NC(=O)C(O)(C1CCCC1)c1ccccc1
BDBM50095682 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1
BDBM50095683 COc1cccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)c1
BDBM50095684 OC(C1CCCC1)(C(=O)NC1CCN(CC2CCCC2)CC1)c1ccccc1
BDBM50095685 Nc1ccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)cc1F
BDBM50095686 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@H]-1-[#6]-[#6]-[#6@H](-[#8])-[#6]-1)c1ccccc1
BDBM50095687 OCc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
BDBM50095688 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@H]-1-[#6]-[#6]-[#6@@H](F)-[#6]-1)c1ccccc1
BDBM50095689 OC(C1CCCC1)(C(=O)NC1CCN(CC2CCCCC2)CC1)c1ccccc1
BDBM50095690 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(CC2CCCCCC2)CC1)c1ccccc1
BDBM50095691 Nc1ccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)nc1
BDBM50095890 OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|
BDBM50099887 Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099888 CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099889 C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099890 COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099891 FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099892 CSc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099893 Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099894 CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50099895 C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
BDBM50103078 C[C@H](N1CCN(CC1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50103079 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(Cl)cccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50103080 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50103081 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCN(Cc2ccc(Cc3ccc4OCOc4c3)cc2)CC1
BDBM50103082 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(F)cccc1F)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50103083 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Cc2ccc3OCOc3c2)cc1
BDBM50103084 C[C@H]1CN(CCN1Cc1ccc(Cc2ccc3OCOc3c2)cc1)C1CCN(CC1)C(=O)c1c(C)cccc1C
BDBM50103085 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(N)cccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50103086 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(Cc2cccc(Cl)c2)cc1
BDBM50103087 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50103088 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50103089 C[C@H]1CN(CCN1Cc1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1)C1CCN(CC1)C(=O)c1c(C)cccc1C
BDBM50103090 C[C@H](N1CCN(C[C@@H]1C)C1CCN(CC1)C(=O)c1ccccc1C)c1ccc(Cc2ccc3OCOc3c2)cc1
BDBM50103091 Cc1cccc(C)c1C(=O)N1CCC(CC1)N1CCN(Cc2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)CC1
BDBM50103768 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(Br)cccc12
BDBM50103769 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2cccc(F)c12
BDBM50103770 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2ccc(F)cc12
BDBM50103771 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2ccccc12
BDBM50103772 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)cc(F)cc12
BDBM50103773 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)c2ccccc12
BDBM50103774 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)cccc12
BDBM50103775 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2cc(F)ccc12
BDBM50103776 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2cc(Cl)ccc12
BDBM50103777 CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50103767 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2c(F)ccc(F)c12
BDBM50106485 COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1
BDBM50106486 COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1
BDBM50104942 COc1ccc(cc1)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
BDBM50104943 Cc1cccc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(Cc2ccc(Br)cc2)CC1
BDBM50104946 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F
BDBM50104956 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F
BDBM50105076 O=C1NCN(c2ccccc2)C11CCN(Cc2cccc(Oc3ccccc3)c2)CC1
BDBM50105094 Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50105106 Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
BDBM50110537 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@@H](C)N1CCN([C@H](C)C1)C1CCCCC1
BDBM50110538 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@@H](C)N1CCN(C[C@H]1C)C1CCCCC1
BDBM50110539 C[C@H](N1CCN(C[C@H]1C)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110523 C[C@@H](N1CCN(C[C@H]1C)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110524 COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCN(C[C@H]2C)C2CCCCC2)cc1
BDBM50110525 CCNC(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
BDBM50110526 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(C[C@@H]1C)C1CCCCC1
BDBM50110527 CCS(=O)(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
BDBM50110528 CCCS(=O)(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
BDBM50110529 CCCCS(=O)(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
BDBM50110530 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110531 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110532 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCCCC1
BDBM50110533 CCCCC(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
BDBM50110534 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@@H](C)N1CCN([C@@H](C)C1)C1CCCCC1
BDBM50110535 C[C@H](N1CCN(C[C@H]1C)C1CCNCC1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110536 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(C[C@H]1C)C1CCCCC1
BDBM50109644 O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1
BDBM50109647 NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
BDBM50109650 O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
BDBM50107696 CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31|
BDBM50107697 CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:33|
BDBM50110540 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1COC(=O)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110541 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ncccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110542 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1sccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110543 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1Oc1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110544 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C)c1ccc(cc1)S(=O)(=O)c1cccc(c1)C(F)(F)F
BDBM50110545 COc1ccc(c(OC)c1OC)S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50110546 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110547 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C)c1ccc(cc1)S(=O)(=O)c1cccc(C)c1
BDBM50110548 COc1c2OCOc2ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50110549 COc1ccc(c2OCOc12)S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50110550 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1N)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110551 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1cccc2OCOc12)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110552 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)C1CC1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110553 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccc(Cl)cc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110554 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1NC(C)=O)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110555 COc1ccccc1C(=O)N1CCC(CC1)N1CCN([C@@H](C)c2ccc(cc2)S(=O)(=O)c2ccc3OCOc3c2)[C@H](C)C1
BDBM50110556 COc1ccc(c(OC)c1)S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50110557 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1Cl)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110558 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50110559 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110560 C[C@H](N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1O)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50110561 COc1cc2OCOc2cc1S(=O)(=O)c1ccc(cc1)[C@H](C)N1CCN(C[C@H]1C)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50111324 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2nccc3ccccc23)cc1
BDBM50111325 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2F)cc1
BDBM50111326 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2-c2ccccc2)cc1
BDBM50111327 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccnc3ccccc23)cc1
BDBM50111328 NC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
BDBM50111329 CC(C)Oc1ccc2c(cccc2c1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
BDBM50111330 COC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccc(F)cc23)cc1
BDBM50111331 COc1cccc(Cl)c1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
BDBM50111332 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
BDBM50111333 COc1ccc(cc1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
BDBM50111334 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(Cl)cc2Cl)cc1
BDBM50111335 CCOc1ccc2c(cccc2c1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
BDBM50111336 COC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
BDBM50111337 CN(C)C(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
BDBM50111338 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccco2)cc1
BDBM50111339 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc3ccccc3c2)cc1
BDBM50111340 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccc(F)cc23)cc1
BDBM50111341 OCCSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
BDBM50111342 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2Cl)cc1
BDBM50111343 CC(C)OC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
BDBM50111344 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3cccnc23)cc1
BDBM50111345 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3cc(F)ccc23)cc1
BDBM50111346 Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N
BDBM50111347 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cnnc3ccccc23)cc1
BDBM50111348 CC(C)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
BDBM50111349 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(cc2)S(N)(=O)=O)cc1
BDBM50111350 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(C)c2N)cc1
BDBM50111351 CCOC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
BDBM50111352 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
BDBM50111353 CCOC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3cc(OCC)ccc23)cc1
BDBM50111354 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cnccn2)cc1
BDBM50111355 OC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
BDBM50111356 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ncccc23)cc1
BDBM50111357 CC(C)Sc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccno2)cc1
BDBM50111358 CC(C)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(C)c2N)cc1
BDBM50115644 CN1CCN2C(C1)c1ccccc1Cc1cccnc21
BDBM50116766 CCCN[C@H]1CCc2nc(N)sc2C1 |r|
BDBM50122054 Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13|
BDBM50121120 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1N
BDBM50121121 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(Cl)c1N
BDBM50121122 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(O[C@H](C)[C@@H](C)O1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50121123 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1Cl
BDBM50121124 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50121137 COc1ccc(cc1)S(=O)c1ccc(cc1)C1(O[C@H](C)[C@@H](C)O1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50121138 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(F)c1N
BDBM50121139 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cc(N)ccc1Cl
BDBM50121488 [#6]-[#6](-[#6])S(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(F)c2ccccc12
BDBM50121489 [#6]-[#6](-[#6])S(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(-[#6])c1-[#7]
BDBM50121140 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(SCCS1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50121141 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1F
BDBM50121142 CNc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50121143 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1Br
BDBM50121144 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1
BDBM50121125 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cc(F)ccc1N
BDBM50121126 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)cc1N
BDBM50121490 CC(C)S(=O)(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
BDBM50121491 [#6]-[#6](-[#6])S(=O)(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1cccc(-[#6])c1-[#7]
BDBM50121492 [#6]-[#6](-[#6])S(=O)(=O)c1ccc(cc1)-[#6](\[#6])=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-c1ccc(F)c2ccccc12
BDBM50121127 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1Cl
BDBM50121128 COc1ccc(cc1)S(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50121129 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C(F)(F)F
BDBM50121130 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1N
BDBM50121131 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(Cl)c1C
BDBM50121132 Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)C1(OCCO1)c1ccc(cc1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50121133 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1c(Cl)cccc1Cl
BDBM50121134 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1C
BDBM50121135 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1OC
BDBM50121136 COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1C
BDBM50123436 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)c[n+]([O-])cc1Cl)c1ccc(cc1)C(F)(F)F
BDBM50123437 COc1nc(C)c(C(=O)N2CCC(C)(CC2)N2CCN([C@@H](C)c3ccc(cc3)C(F)(F)F)[C@@H](C)C2)c(C)n1
BDBM50123438 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(Cl)cncc1Cl)c1ccc(cc1)C(F)(F)F
BDBM50123439 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)-c1ccccc1)c1ccc(cc1)C(F)(F)F
BDBM50123440 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C#N
BDBM50123441 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(N)nc1C)c1ccc(cc1)C(F)(F)F
BDBM50123442 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(C)nc1C)c1ccc(cc1)C(F)(F)F
BDBM50123443 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(I)cc1
BDBM50123444 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F)c1ccc(cc1)C(F)(F)F
BDBM50123445 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cncc1C)c1ccc(cc1)C(F)(F)F
BDBM50123446 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(OC(F)(F)F)cc1
BDBM50123447 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)c[n+]([O-])cc1C)c1ccc(cc1)C(F)(F)F
BDBM50123435 C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
BDBM50122872 COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(N)c2CCOc12
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,)|
BDBM50130290 CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
BDBM50130293 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50130257 CN(C)CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12
BDBM50130273 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
BDBM50129388 NCC1CCC(CC1)NC(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1 |wU:11.11,wD:13.20,11.12,(15.87,-1.73,;14.54,-.96,;13.21,-1.73,;13.21,-3.27,;11.88,-4.04,;10.55,-3.27,;10.53,-1.73,;11.88,-.96,;9.22,-4.04,;7.87,-3.27,;7.87,-1.73,;6.54,-4.04,;7.87,-4.81,;5.77,-5.37,;6.38,-6.79,;5.23,-7.82,;3.9,-7.03,;2.57,-6.26,;3.5,-8.52,;4.23,-5.53,;5.21,-3.27,;3.86,-4.04,;2.54,-3.27,;2.54,-1.73,;3.86,-.96,;5.21,-1.73,)|
BDBM50129389 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)N1CCCNCC1)c1ccccc1
BDBM50129390 CCC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129391 NCC(=O)N1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129392 [#7]-[#6]\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)[C@@]([#8])([#6@@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1
BDBM50129393 CC1(N)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129394 CN(C)CCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129395 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCNCC1)c1ccccc1
BDBM50129396 NCc1cccc(NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1
BDBM50129397 CC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129398 NCCN1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129399 NCCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1
BDBM50129400 NCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129401 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)N1CCC(CCN2CCCCC2)CC1)c1ccccc1
BDBM50129402 NCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129403 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NCC1CCNCC1)c1ccccc1
BDBM50129404 NC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129405 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NCCC1CCNCC1)c1ccccc1
BDBM50129406 NCCCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129407 CNCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129408 NCc1ccc(NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)cc1
BDBM50129409 NCC1CCN(C1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129410 NCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1
BDBM50129383 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)N1CCNCC1)c1ccccc1
BDBM50129384 CC(C)(N)CC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129385 NCCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1
BDBM50129386 O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)Nc1ccc2CNCc2c1)c1ccccc1
BDBM50129387 NC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1
BDBM50128240 CCOC(=O)C1CN2CC(CCC2CN(C)C)C1=O |TLB:18:17:8:12.10.11,THB:3:5:8:12.10.11,13:12:5.17.6:8|
BDBM50128241 CCOC(=O)C1CN2CC(CCC2COCc2ccccc2)C1=O |TLB:23:22:8:12.10.11,13:12:5.22.6:8,THB:3:5:8:12.10.11|
BDBM50128242 CCOC(=O)C1CN2CCCC(C2)C1=O |TLB:3:5:12:8.10.9,THB:14:13:12:8.10.9|
BDBM50131440 CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
BDBM50133817 CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
BDBM50142801 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(N)c2C)cc1
BDBM50142802 Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)C(=O)NC2CCCCC2)CC1
BDBM50142803 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2C)cc1
BDBM50142804 CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccc(F)c2ccccc12
BDBM50142805 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3[nH]ccc23)cc1
BDBM50142806 CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(C)c1N
BDBM50142807 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2Cl)cc1
BDBM50142808 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccnc3ccccc23)cc1
BDBM50142809 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
BDBM50142810 CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1Cl
BDBM50142811 CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc2[nH]ccc12
BDBM50142812 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(C)c2N)cc1
BDBM50142813 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3c(F)cc(F)cc23)cc1
BDBM50142814 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc3[nH]ccc3c2)cc1
BDBM50142815 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3nc[nH]c23)cc1
BDBM50142816 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccccc2N)cc1
BDBM50142817 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2c[nH]c3ccccc23)cc1
BDBM50142818 CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1ccccc1C
BDBM50142819 CC(C)NC(=O)c1ccc(cc1)C1(OCCO1)C1CCN(CC1)C1CCN(CC1)C(=O)c1cccc(N)c1C
BDBM50142820 CC(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3c(F)cccc23)cc1
BDBM50142821 Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)C(=O)Nc2ccccc2)CC1
BDBM50142822 Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)C(=O)NC(C)(C)C)CC1
BDBM50142823 Fc1ccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)C(=O)NC3CCCCC3)CC2)c2ccccc12
BDBM50142824 CC(C)(C)NC(=O)c1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2ccc(F)c3ccccc23)cc1
BDBM50142825 Fc1ccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)C(=O)Nc3ccccc3)CC2)c2ccccc12
BDBM50145681 C[C@H]1CN(CCN1[C@@H](Cc1ccccc1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
BDBM50145682 CC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
BDBM50145683 C[C@H]1CN(CCN1[C@@H](CCC(F)(F)F)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
BDBM50145684 CCC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
BDBM50145685 COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
BDBM50145686 C[C@H]1CN(CCN1[C@@H](CC1CC1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C
BDBM50149713 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3)[C@@H]12
BDBM50149714 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H]([C@@H](O)C[C@H]3CCC(C)(C)N3C)[C@@H]12
BDBM50149715 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3C(CCC3CCC(C)(C)N3C)[C@@H]12
BDBM50149716 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3\C(=C\C[C@H]3CCC[C@H](C)N3C)[C@@H]12
BDBM50149717 C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)[N+]3(C)C)[C@@H]12 |t:6|
BDBM50149718 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3)[C@@H]12
BDBM50149719 CCN1C(C\C=C2/[C@H]3[C@H](C)OC(=O)[C@H]3C=C3CCCC[C@H]23)CCC1(C)C |t:15|
BDBM50149720 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)[C@@H]12
BDBM50149721 C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)N4O3)[C@@H]12 |t:6|
BDBM50149722 CCN1C(CCC2[C@H]3[C@H](C)OC(=O)[C@H]3C[C@H]3CCCC[C@H]23)CCC1(C)C
BDBM50149723 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@H]([C@@H]12)C(=O)C[C@H]1CCC[C@H](C)N1C
BDBM50149724 C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12 |t:6|
BDBM50149725 C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12 |t:6|
BDBM50149726 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12
BDBM50149891 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC
BDBM50151858 CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1
BDBM50160160 COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
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|
BDBM50160807 CCN1CCN(CC1)c1cc(-c2ccc(F)cc2)c2CCCCCCc2n1
BDBM50165008 CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
BDBM50165009 Cc1ccc(OCc2ccccc2)c(c1)C(CCN1C[C@@H]2C[C@@H]2C1)c1ccccc1
BDBM50165010 OC(C1CCCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1
BDBM50165011 CC1[C@@H]2C[C@@H]2CN1CCC(c1ccccc1)c1cc(C)ccc1OCc1ccccc1
BDBM50165012 OC(C(=O)OCC#CCN1CC2CC2C1)(c1ccccc1)c1ccccc1
BDBM50165013 OC(C(=O)NCC#CCN1CC2CC2C1)(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50165014 COc1ccc(cc1)C(O)(C1CCCC1)C(=O)OCC#CCN1CC2CC2C1
BDBM50165015 Cc1ccc(OCc2ccccc2)c(c1)C(CCN1C[C@@]2(C)C[C@@]2(C)C1)c1ccccc1
BDBM50165016 CC1[C@@H]2C[C@@H]2CN1CCC(c1ccccc1)c1cc(C)ccc1O
BDBM50165017 OC(C1CCCC1)(C(=O)OCC#CCN1CC2CC2C1)c1ccccc1
BDBM50165018 Cc1ccc(O)c(c1)C(CCN1C[C@@H]2C[C@@H]2C1)c1ccccc1
BDBM50165019 CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
BDBM50165020 OC(C(=O)OCC#CCN1CC2CC2C1)(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50165021 Cc1ccc(O)c(c1)C(CCN1C[C@@]2(C)C[C@@]2(C)C1)c1ccccc1
BDBM50165022 Cc1ccc(O)c(c1)C(CCN1C[C@H]2C[C@@]2(C)C1)c1ccccc1
BDBM50165023 OC(C1CCCCC1)(C(=O)NCC#CCN1CC2CC2C1)c1ccccc1
BDBM50165024 OC(C(=O)NCC#CCN1CC2CC2C1)(c1ccccc1)c1ccccc1
BDBM50164447 NC(CCS(O)(=O)=O)C(O)=O
BDBM50171290 CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
BDBM50173091 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1
BDBM50173092 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1
BDBM50173093 COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50173094 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1
BDBM50173095 COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1
BDBM50173096 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
BDBM50173097 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1
BDBM50173098 COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1
BDBM50173090 COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1
BDBM50172414 CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
BDBM50172421 CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
BDBM50176720 CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(c1ccccc1)c1cccnc1 |wU:12.13,2.1,wD:12.14,2.11,THB:1:2:5.6:9.8,(-3.21,-15.79,;-1.68,-15.76,;-.87,-17.08,;-.31,-18.35,;.98,-17.3,;2.47,-17.53,;1.82,-16.27,;.36,-16.06,;-.02,-14.47,;.71,-15.41,;-2.21,-17.87,;-3.53,-18.65,;-4.86,-19.44,;-5.64,-18.12,;-6.18,-20.23,;-7.53,-19.48,;-8.85,-20.26,;-8.83,-21.81,;-7.48,-22.56,;-6.16,-21.77,;-4.07,-20.76,;-2.54,-20.74,;-1.76,-22.07,;-2.51,-23.4,;-4.05,-23.42,;-4.84,-22.11,)|
BDBM50176721 CO[C@]1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccccc1 |wU:2.11,wD:2.1,THB:1:2:5.6:9.8,(13.97,6.29,;15.45,5.91,;15.87,4.41,;16.06,3.03,;17.59,3.69,;18.96,3.06,;18.68,4.45,;17.33,5.06,;17.4,6.69,;17.85,5.59,;14.37,4.02,;12.87,3.62,;11.38,3.22,;10.99,4.71,;11.78,1.74,;10.69,.65,;11.08,-.84,;12.57,-1.24,;13.66,-.14,;13.26,1.34,;9.89,2.83,;8.8,3.92,;7.31,3.53,;6.91,2.04,;8,.94,;9.49,1.34,)|
BDBM50176722 CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccc(F)cc1)c1ccc(F)cc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(25.27,-13.99,;26.76,-14.38,;27.17,-15.87,;27.37,-17.25,;28.9,-16.59,;30.27,-17.22,;29.99,-15.83,;28.64,-15.23,;28.71,-13.59,;29.15,-14.7,;25.67,-16.27,;24.18,-16.66,;22.69,-17.06,;22.3,-15.57,;21.2,-17.46,;20.11,-16.36,;18.62,-16.76,;18.22,-18.25,;16.73,-18.64,;19.31,-19.34,;20.8,-18.94,;23.09,-18.55,;22,-19.63,;22.39,-21.12,;23.88,-21.52,;24.28,-23.01,;24.97,-20.43,;24.57,-18.95,)|
BDBM50176723 CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccs1)c1cccs1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-4.55,6.62,;-3.06,6.24,;-2.65,4.75,;-2.46,3.37,;-.93,4.03,;.43,3.4,;.16,4.79,;-1.19,5.39,;-1.12,7.02,;-.67,5.92,;-4.15,4.35,;-5.64,3.96,;-7.13,3.56,;-7.52,5.04,;-8.62,3.16,;-9.16,1.72,;-10.68,1.79,;-11.09,3.3,;-9.81,4.14,;-6.73,2.08,;-5.29,1.53,;-5.36,.02,;-6.86,-.39,;-7.7,.89,)|
BDBM50176725 COC1(CN2CCC1CC2)C#CC(O)(C1CCCC1)c1ccccn1 |THB:1:2:5.6:9.8,(-4.54,-3.86,;-3.01,-3.86,;-2.24,-5.21,;-1.71,-6.49,;-.39,-5.47,;1.09,-5.74,;.48,-4.47,;-.98,-4.22,;-1.32,-2.62,;-.61,-3.58,;-3.59,-5.96,;-4.94,-6.72,;-6.28,-7.47,;-7.03,-6.13,;-5.53,-8.81,;-6.17,-10.21,;-5.04,-11.26,;-3.7,-10.5,;-4,-9,;-7.63,-8.23,;-7.65,-9.77,;-8.99,-10.53,;-10.32,-9.74,;-10.3,-8.19,;-8.96,-7.44,)|
BDBM50176726 COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1F |THB:1:2:5.6:9.8,(22.68,-23.08,;24.21,-23.04,;25.02,-24.36,;25.58,-25.63,;26.87,-24.58,;28.36,-24.82,;27.71,-23.56,;26.25,-23.34,;25.87,-21.75,;26.6,-22.69,;23.68,-25.15,;22.36,-25.94,;21.03,-26.73,;20.25,-25.41,;19.71,-27.52,;18.36,-26.76,;17.04,-27.55,;17.06,-29.09,;18.41,-29.85,;19.73,-29.06,;21.82,-28.05,;21.07,-29.39,;21.85,-30.71,;23.39,-30.69,;24.14,-29.35,;23.35,-28.03,;24.1,-26.68,)|
BDBM50176727 COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnn1 |THB:1:2:5.6:9.8,(-4.65,-34.66,;-3.11,-34.63,;-2.3,-35.95,;-1.74,-37.23,;-.45,-36.17,;1.04,-36.41,;.39,-35.14,;-1.07,-34.93,;-1.45,-33.34,;-.72,-34.28,;-3.64,-36.74,;-4.97,-37.53,;-6.29,-38.32,;-7.08,-37,;-7.62,-39.11,;-8.97,-38.35,;-10.29,-39.14,;-10.27,-40.69,;-8.92,-41.44,;-7.6,-40.65,;-5.51,-39.64,;-3.98,-39.62,;-3.19,-40.95,;-3.94,-42.28,;-5.48,-42.31,;-6.27,-40.99,)|
BDBM50176728 CO[C@@]1(CN2CCC1CC2)C#CC(O)C1c2ccccc2C=Cc2ccccc12 |wU:2.1,wD:2.11,c:24,THB:1:2:5.6:9.8,(28.24,-38.26,;29.73,-38.65,;30.15,-40.14,;30.34,-41.52,;31.87,-40.86,;33.24,-41.49,;32.97,-40.1,;31.61,-39.5,;31.68,-37.86,;32.13,-38.97,;28.65,-40.54,;27.15,-40.93,;25.66,-41.33,;24.57,-40.24,;25.26,-42.82,;23.74,-43.1,;22.92,-41.8,;21.38,-41.86,;20.67,-43.23,;21.49,-44.52,;23.02,-44.46,;23.64,-45.87,;25.13,-46.28,;26.36,-45.36,;27.67,-46.17,;29.03,-45.44,;29.08,-43.89,;27.76,-43.08,;26.41,-43.81,)|
BDBM50176729 COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1 |THB:1:2:5.6:9.8,(-5.03,-13.2,;-3.49,-13.16,;-2.69,-14.49,;-2.13,-15.76,;-.83,-14.71,;.65,-14.94,;0,-13.68,;-1.46,-13.46,;-1.84,-11.87,;-1.11,-12.82,;-4.02,-15.27,;-5.35,-16.06,;-6.67,-16.85,;-7.46,-15.53,;-8,-17.64,;-9.35,-16.88,;-10.67,-17.67,;-10.65,-19.21,;-9.3,-19.97,;-7.98,-19.18,;-5.89,-18.17,;-4.36,-18.15,;-3.58,-19.47,;-4.32,-20.81,;-5.86,-20.83,;-6.65,-19.52,)|
BDBM50176730 CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccnc1)c1cccnc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(24.67,-12.3,;26.2,-12.27,;27.01,-13.59,;27.57,-14.86,;28.86,-13.81,;30.34,-14.04,;29.7,-12.78,;28.24,-12.57,;27.86,-10.98,;28.59,-11.92,;25.67,-14.37,;24.35,-15.16,;23.03,-15.95,;22.24,-14.63,;21.7,-16.73,;21.72,-18.27,;20.41,-19.06,;19.06,-18.31,;19.04,-16.77,;20.36,-15.98,;23.81,-17.27,;23.07,-18.61,;23.85,-19.94,;25.38,-19.91,;26.13,-18.57,;25.35,-17.26,)|
BDBM50176731 COC1(CN2CCC1CC2)C#CC(O)(Cc1ccccc1)Cc1ccccc1 |THB:1:2:5.6:9.8,(11.2,-14.77,;12.69,-15.16,;13.1,-16.65,;13.3,-18.03,;14.83,-17.37,;16.2,-18,;15.92,-16.61,;14.57,-16,;14.64,-14.37,;15.09,-15.48,;11.6,-17.05,;10.11,-17.44,;8.62,-17.84,;8.22,-16.35,;7.12,-18.24,;6.72,-19.72,;5.23,-20.11,;4.83,-21.6,;5.92,-22.69,;7.41,-22.29,;7.81,-20.8,;9.01,-19.33,;10.5,-19.73,;10.89,-21.22,;12.37,-21.62,;13.47,-20.54,;13.07,-19.04,;11.58,-18.65,)|
BDBM50176732 CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccccc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-2.54,5.9,;-1.05,5.51,;-.64,4.02,;-.44,2.64,;1.09,3.3,;2.46,2.67,;2.18,4.06,;.83,4.66,;.9,6.3,;1.34,5.19,;-2.14,3.62,;-3.63,3.22,;-5.12,2.83,;-5.52,4.31,;-4.73,1.34,;-5.81,.25,;-5.42,-1.23,;-3.93,-1.63,;-2.84,-.54,;-3.24,.94,;-6.61,2.43,;-7.7,3.53,;-9.19,3.13,;-9.59,1.64,;-8.5,.54,;-7.01,.94,)|
BDBM50176733 CCCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1 |THB:17:9:12.13:16.15,(11.05,-11.38,;9.96,-12.47,;8.47,-12.07,;8.08,-10.58,;9.17,-9.49,;8.77,-8,;8.38,-6.51,;10.27,-7.61,;11.76,-7.21,;13.26,-6.81,;13.45,-8.19,;14.99,-7.54,;16.36,-8.17,;16.08,-6.77,;14.73,-6.17,;14.8,-4.53,;15.24,-5.64,;12.85,-5.32,;11.36,-4.93,;7.28,-8.4,;6.19,-7.31,;4.7,-7.7,;4.3,-9.19,;5.39,-10.29,;6.88,-9.89,)|
BDBM50176735 CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccsc1)c1ccsc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(9.1,6.91,;10.59,6.52,;11,5.02,;11.19,3.64,;12.73,4.3,;14.09,3.67,;13.82,5.06,;12.47,5.67,;12.54,7.31,;12.98,6.2,;9.5,4.63,;8,4.23,;6.51,3.83,;6.11,5.32,;5.02,3.44,;4.48,2,;2.91,2.09,;2.52,3.58,;3.83,4.41,;6.91,2.35,;8.33,1.8,;8.24,.24,;6.76,-.15,;5.94,1.16,)|
BDBM50176705 CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-1.92,-25.58,;-.43,-25.96,;-.02,-27.46,;.18,-28.83,;1.71,-28.18,;3.08,-28.81,;2.8,-27.42,;1.45,-26.81,;1.52,-25.18,;1.97,-26.28,;-1.51,-27.85,;-3.01,-28.25,;-4.5,-28.64,;-4.89,-27.16,;-5.99,-29.04,;-7.08,-27.95,;-8.57,-28.34,;-8.97,-29.83,;-10.46,-30.23,;-7.88,-30.93,;-6.39,-30.53,;-4.1,-30.13,;-5.19,-31.22,;-4.8,-32.7,;-3.31,-33.11,;-2.91,-34.59,;-2.22,-32.01,;-2.62,-30.53,)|
BDBM50176706 COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccc(F)nc1 |THB:1:2:5.6:9.8,(7.82,-23.84,;9.35,-23.8,;10.15,-25.13,;10.72,-26.4,;12.01,-25.35,;13.49,-25.58,;12.85,-24.32,;11.39,-24.11,;11.01,-22.52,;11.74,-23.46,;8.82,-25.91,;7.5,-26.7,;6.17,-27.49,;5.39,-26.17,;4.85,-28.28,;3.5,-27.53,;2.18,-28.31,;2.2,-29.85,;3.55,-30.61,;4.87,-29.82,;6.96,-28.81,;8.48,-28.79,;9.27,-30.12,;8.52,-31.45,;9.31,-32.77,;6.98,-31.47,;6.19,-30.16,)|
BDBM50176707 COC1(CN2CCC1CC2)C#CC(O)(C1CCC1)c1ccccn1 |THB:1:2:5.6:9.8,(8.86,-3.54,;10.4,-3.54,;11.18,-4.88,;11.71,-6.17,;13.03,-5.15,;14.51,-5.42,;13.89,-4.14,;12.44,-3.89,;12.1,-2.29,;12.8,-3.25,;9.82,-5.64,;8.47,-6.4,;7.13,-7.15,;6.37,-5.81,;7.88,-8.5,;7.46,-9.97,;8.94,-10.39,;9.36,-8.91,;5.78,-7.91,;5.76,-9.45,;4.42,-10.21,;3.09,-9.42,;3.11,-7.87,;4.45,-7.12,)|
BDBM50176708 CO[C@@]1(CN2CCC1CC2)C#C[C@@](O)(c1ccccc1)c1cccnc1 |wU:12.14,2.1,wD:12.13,2.11,THB:1:2:5.6:9.8,(16.23,-16.03,;17.77,-16,;18.57,-17.32,;19.13,-18.59,;20.42,-17.54,;21.91,-17.77,;21.26,-16.51,;19.8,-16.3,;19.42,-14.71,;20.15,-15.65,;17.23,-18.11,;15.91,-18.89,;14.58,-19.68,;13.8,-18.36,;13.26,-20.47,;11.91,-19.72,;10.59,-20.5,;10.61,-22.05,;11.96,-22.8,;13.28,-22.01,;15.37,-21,;16.9,-20.98,;17.68,-22.31,;16.93,-23.64,;15.4,-23.66,;14.6,-22.35,)|
BDBM50176709 CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(C)c1)c1cccc(C)c1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(-3.03,-42.39,;-1.54,-42.78,;-1.13,-44.27,;-.93,-45.65,;.6,-44.99,;1.97,-45.62,;1.69,-44.23,;.34,-43.62,;.41,-41.99,;.86,-43.09,;-2.63,-44.67,;-4.12,-45.06,;-5.61,-45.46,;-6.01,-43.97,;-7.11,-45.85,;-7.51,-47.34,;-8.99,-47.75,;-10.09,-46.65,;-9.68,-45.16,;-10.77,-44.07,;-8.2,-44.76,;-5.22,-46.95,;-6.31,-48.03,;-5.91,-49.52,;-4.42,-49.92,;-3.33,-48.83,;-1.84,-49.22,;-3.73,-47.35,)|
BDBM50176710 CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,2.1,wD:12.13,2.11,THB:1:2:5.6:9.8,(13.9,-6.16,;15.38,-6.55,;15.79,-8.04,;15.99,-9.42,;17.52,-8.76,;18.88,-9.39,;18.61,-8,;17.26,-7.4,;17.33,-5.76,;17.77,-6.87,;14.3,-8.44,;12.81,-8.83,;11.32,-9.23,;10.92,-7.74,;11.71,-10.71,;10.61,-11.8,;11,-13.27,;12.48,-13.68,;13.57,-12.6,;13.18,-11.11,;9.83,-9.62,;8.73,-8.53,;7.25,-8.93,;6.85,-10.42,;7.94,-11.51,;9.42,-11.11,)|
BDBM50176711 CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(F)c1)c1cccc(F)c1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(26.22,-26.56,;27.7,-26.94,;28.12,-28.44,;28.31,-29.81,;29.84,-29.16,;31.21,-29.79,;30.93,-28.4,;29.58,-27.79,;29.65,-26.16,;30.1,-27.26,;26.62,-28.83,;25.13,-29.23,;23.63,-29.62,;23.24,-28.14,;22.14,-30.02,;21.74,-31.51,;20.25,-31.91,;19.16,-30.81,;19.57,-29.32,;18.48,-28.23,;21.05,-28.93,;24.03,-31.11,;22.94,-32.2,;23.34,-33.68,;24.82,-34.09,;25.91,-32.99,;27.4,-33.39,;25.51,-31.51,)|
BDBM50176712 COC1(CN2CCC1CC2)C#CC(O)(C1CCCC1)c1ccccc1 |THB:1:2:5.6:9.8,(26.6,5.4,;28.09,5.01,;28.5,3.51,;28.69,2.14,;30.23,2.79,;31.59,2.16,;31.32,3.55,;29.97,4.16,;30.04,5.8,;30.48,4.69,;27,3.12,;25.5,2.72,;24.01,2.33,;23.61,3.81,;24.41,.84,;23.43,-.35,;24.27,-1.64,;25.76,-1.25,;25.84,.29,;22.52,1.93,;21.42,3.02,;19.94,2.63,;19.53,1.13,;20.63,.04,;22.11,.44,)|
BDBM50176713 CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccc(C)cc1)c1ccc(C)cc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(11.48,-25.76,;12.97,-26.15,;13.39,-27.64,;13.58,-29.02,;15.11,-28.37,;16.48,-29,;16.2,-27.6,;14.85,-27,;14.92,-25.36,;15.37,-26.47,;11.89,-28.04,;10.39,-28.44,;8.9,-28.83,;8.51,-27.35,;7.41,-29.23,;6.32,-28.14,;4.83,-28.53,;4.43,-30.02,;2.94,-30.42,;5.52,-31.12,;7.01,-30.72,;9.3,-30.32,;8.21,-31.41,;8.6,-32.89,;10.09,-33.3,;10.49,-34.78,;11.18,-32.2,;10.78,-30.72,)|
BDBM50176714 COC1(CN2CCC1CC2)C#CC(O)(C1CCC1)c1ccccc1 |THB:1:2:5.6:9.8,(-3.4,-5.54,;-1.91,-5.93,;-1.5,-7.42,;-1.31,-8.8,;.23,-8.14,;1.59,-8.77,;1.32,-7.38,;-.03,-6.78,;.04,-5.14,;.48,-6.25,;-3,-7.82,;-4.49,-8.21,;-5.98,-8.61,;-6.38,-7.12,;-5.59,-10.1,;-6.36,-11.43,;-5.03,-12.2,;-4.26,-10.87,;-7.48,-9.01,;-8.57,-7.91,;-10.05,-8.31,;-10.46,-9.8,;-9.36,-10.9,;-7.88,-10.5,)|
BDBM50176715 COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccccn1 |THB:1:2:5.6:9.8,(24.36,-2.96,;25.9,-2.93,;26.7,-4.25,;27.26,-5.52,;28.56,-4.47,;30.04,-4.7,;29.4,-3.44,;27.93,-3.23,;27.56,-1.64,;28.29,-2.58,;25.37,-5.04,;24.04,-5.83,;22.72,-6.61,;21.93,-5.29,;21.39,-7.4,;20.04,-6.65,;18.73,-7.43,;18.75,-8.98,;20.09,-9.73,;21.41,-8.94,;23.5,-7.93,;22.75,-9.26,;23.53,-10.59,;25.07,-10.57,;25.83,-9.23,;25.04,-7.91,)|
BDBM50176716 COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccncc1 |THB:1:2:5.6:9.8,(8.98,-12.42,;10.51,-12.38,;11.32,-13.7,;11.88,-14.97,;13.17,-13.92,;14.65,-14.16,;14.01,-12.9,;12.55,-12.68,;12.17,-11.1,;12.9,-12.04,;9.98,-14.49,;8.66,-15.28,;7.34,-16.07,;6.55,-14.75,;6.01,-16.85,;4.66,-16.1,;3.35,-16.88,;3.37,-18.43,;4.71,-19.18,;6.03,-18.39,;8.12,-17.38,;9.66,-17.37,;10.44,-18.69,;9.69,-20.03,;8.16,-20.06,;7.37,-18.73,)|
BDBM50176717 CCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1 |THB:16:8:11.12:15.14,(25.15,-12.89,;23.66,-12.49,;23.27,-11,;24.36,-9.92,;23.96,-8.43,;23.57,-6.94,;25.45,-8.03,;26.94,-7.64,;28.44,-7.24,;28.64,-8.62,;30.17,-7.96,;31.54,-8.59,;31.26,-7.2,;29.91,-6.6,;29.98,-4.96,;30.42,-6.07,;28.03,-5.75,;26.54,-5.36,;22.47,-8.83,;21.38,-7.73,;19.89,-8.13,;19.49,-9.62,;20.58,-10.72,;22.07,-10.31,)|
BDBM50176718 CO[C@@]1(CN2CCC1CC2)C#CC(O)(C1CCCCC1)c1ccccc1 |wU:2.1,wD:2.11,THB:1:2:5.6:9.8,(11.35,5.74,;12.84,5.36,;13.25,3.86,;13.44,2.49,;14.97,3.14,;16.34,2.52,;16.06,3.9,;14.71,4.51,;14.78,6.14,;15.23,5.04,;11.75,3.47,;10.26,3.07,;8.77,2.68,;8.38,4.16,;9.16,1.19,;8.06,.11,;8.45,-1.37,;9.93,-1.78,;11.03,-.69,;10.64,.8,;7.28,2.28,;6.19,3.37,;4.71,2.98,;4.3,1.49,;5.39,.39,;6.88,.8,)|
BDBM50176719 COC1(CN2CCC1CC2)C#CC(O)(Cc1ccccc1)c1ccccc1 |THB:1:2:5.6:9.8,(-3.05,-15.66,;-1.56,-16.04,;-1.15,-17.54,;-.96,-18.91,;.58,-18.26,;1.94,-18.89,;1.67,-17.5,;.32,-16.89,;.39,-15.26,;.83,-16.36,;-2.65,-17.93,;-4.14,-18.33,;-5.63,-18.72,;-6.03,-17.24,;-5.24,-20.21,;-3.75,-20.61,;-3.36,-22.1,;-1.88,-22.5,;-.79,-21.42,;-1.19,-19.92,;-2.67,-19.53,;-7.12,-19.12,;-8.22,-18.03,;-9.7,-18.42,;-10.1,-19.91,;-9.01,-21.01,;-7.53,-20.61,)|
BDBM50176704 COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cncnc1 |THB:1:2:5.6:9.8,(8.21,-34.77,;9.74,-34.74,;10.54,-36.06,;11.11,-37.33,;12.4,-36.28,;13.88,-36.51,;13.24,-35.25,;11.78,-35.04,;11.4,-33.45,;12.13,-34.39,;9.21,-36.85,;7.89,-37.63,;6.56,-38.42,;5.78,-37.1,;5.24,-39.21,;3.89,-38.46,;2.57,-39.24,;2.59,-40.78,;3.94,-41.54,;5.26,-40.75,;7.35,-39.74,;8.88,-39.72,;9.66,-41.04,;8.91,-42.38,;7.37,-42.4,;6.58,-41.09,)|
BDBM50175566 O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1C1CCCCC1 |wD:3.2,(-1.26,-.59,;-1.28,.95,;.05,1.75,;1.39,1,;1.41,-.55,;2.76,-1.3,;3.43,-.15,;2,.51,;2.7,1.8,;4.06,1.05,;4.08,-.5,;-2.53,1.7,;-2.59,3.25,;-3.95,3.97,;-5.25,3.15,;-6.55,3.86,;-7.82,3.11,;-7.8,1.61,;-6.49,.89,;-5.19,1.61,;-3.83,.88,;-3.79,-.66,;-2.43,-1.39,;-2.38,-2.93,;-3.69,-3.75,;-5.06,-3.02,;-5.1,-1.48,)|
BDBM50175567 O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2C1c1ccccc1 |wD:3.2,TLB:2:3:7.6:9.10,(17.05,5.78,;16.28,4.44,;17.05,3.1,;18.6,3.1,;19.37,1.77,;20.91,1.77,;20.93,3.09,;19.37,2.96,;19.36,4.43,;20.9,4.43,;21.68,3.1,;14.74,4.43,;13.83,5.67,;12.37,5.21,;11.04,5.98,;9.69,5.21,;9.69,3.66,;11.04,2.89,;12.37,3.66,;13.83,3.18,;14.15,1.68,;15.63,1.21,;15.95,-.29,;14.81,-1.34,;13.35,-.85,;13.02,.65,)|
BDBM50175568 O=C(O[C@H]1CN2CCC1CC2)N1CC(c2ccccc2)c2ccccc2C1 |wD:3.2,(7.93,-6.34,;7.95,-4.79,;9.3,-4.04,;10.64,-4.84,;10.61,-6.41,;11.93,-7.19,;13.28,-6.45,;13.31,-4.9,;11.98,-4.09,;11.22,-5.37,;12.63,-6.08,;6.63,-4.01,;6.65,-2.51,;5.36,-1.74,;5.38,-.2,;6.74,.56,;6.77,2.1,;5.44,2.9,;4.08,2.15,;4.06,.6,;4.06,-2.47,;2.78,-1.71,;1.48,-2.44,;1.44,-3.93,;2.73,-4.69,;4.04,-3.97,;5.31,-4.74,)|
BDBM50175569 O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1 |wD:3.2,(13.54,-1.45,;13.56,.09,;14.91,.84,;16.24,.05,;16.21,-1.51,;17.53,-2.3,;18.24,-1.18,;16.84,-.48,;17.59,.8,;18.91,-.01,;18.89,-1.56,;12.23,.88,;12.25,2.38,;10.97,3.16,;9.67,2.43,;8.4,3.18,;7.09,2.45,;7.06,.98,;8.35,.2,;9.65,.93,;10.93,.16,;10.9,-1.38,;12.23,-2.17,;12.2,-3.71,;10.84,-4.48,;9.52,-3.68,;9.54,-2.13,)|
BDBM50175570 O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1 |wD:3.2,(1.1,-.87,;1.08,.67,;2.4,1.47,;3.75,.72,;3.75,-.83,;5.11,-1.58,;5.78,-.43,;4.36,.23,;5.06,1.51,;6.42,.76,;6.44,-.78,;-.18,1.42,;-.23,2.96,;-1.58,3.69,;-2.89,2.87,;-4.19,3.58,;-5.47,2.82,;-5.45,1.33,;-4.13,.61,;-2.83,1.33,;-1.47,.6,;-1.54,-.89,;-.18,-1.62,;-.16,-3.17,;-1.47,-3.98,;-2.83,-3.21,;-2.86,-1.69,)|
BDBM50175572 O[C@H]1CN(C(c2ccccc2)c2ccccc12)C(=O)O[C@H]1CN2CCC1CC2 |wU:1.0,wD:20.22,(-4.36,3.2,;-4.32,1.66,;-2.96,.93,;-2.91,-.61,;-4.21,-1.42,;-4.17,-2.97,;-5.48,-3.78,;-5.44,-5.32,;-4.07,-6.05,;-2.77,-5.23,;-2.82,-3.69,;-5.57,-.71,;-6.86,-1.41,;-8.16,-.7,;-8.18,.79,;-6.92,1.56,;-5.61,.83,;-1.67,-1.35,;-1.65,-2.89,;-.34,-.56,;1,-1.31,;1.01,-2.85,;2.36,-3.6,;3.69,-2.81,;3.66,-1.27,;2.31,-.51,;1.61,-1.8,;3.02,-2.46,)|
BDBM50175573 OC1CN(C(c2ccccc2)c2ccccc12)C(=O)O[C@H]1CN2CCC1CC2 |wD:20.22,(-3.78,2.38,;-3.73,.84,;-2.38,.11,;-2.33,-1.43,;-3.63,-2.24,;-3.59,-3.79,;-4.9,-4.6,;-4.85,-6.14,;-3.49,-6.87,;-2.19,-6.05,;-2.23,-4.51,;-4.98,-1.52,;-6.28,-2.22,;-7.57,-1.52,;-7.6,-.03,;-6.34,.74,;-5.03,.02,;-1.09,-2.17,;-1.07,-3.71,;.24,-1.38,;1.59,-2.12,;1.59,-3.67,;2.95,-4.42,;4.27,-3.62,;4.25,-2.08,;2.89,-1.33,;2.19,-2.62,;3.6,-3.27,)|
BDBM50175574 O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccsc1 |wD:3.2,(.51,-2.2,;.49,-.66,;1.8,.13,;3.16,-.61,;3.17,-2.17,;4.51,-2.92,;5.18,-1.77,;3.76,-1.12,;4.46,.18,;5.82,-.58,;5.84,-2.12,;-.76,.07,;-.81,1.61,;-2.16,2.35,;-3.47,1.52,;-4.76,2.23,;-6.03,1.47,;-6.01,-.01,;-4.7,-.73,;-3.41,-.02,;-2.05,-.73,;-2.01,-2.27,;-3.24,-3.22,;-2.7,-4.67,;-1.16,-4.6,;-.74,-3.13,)|
BDBM50175575 O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 |wD:3.2,(-1.66,-4.44,;-1.68,-2.9,;-.37,-2.1,;.99,-2.85,;1,-4.4,;2.34,-5.15,;3.01,-4,;1.6,-3.35,;2.3,-2.06,;3.65,-2.81,;3.68,-4.35,;-2.94,-2.16,;-2.98,-.62,;-4.34,.12,;-5.64,-.71,;-6.94,.02,;-8.21,-.76,;-8.19,-2.24,;-6.88,-2.95,;-5.58,-2.25,;-4.23,-2.97,;-4.18,-4.49,;-5.41,-5.45,;-4.87,-6.9,;-3.33,-6.84,;-2.91,-5.36,)|
BDBM50175578 O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1Cc1ccccc1 |wD:3.2,(-1.07,-1.94,;-1.1,-.4,;.22,.4,;1.57,-.35,;1.59,-1.9,;2.92,-2.64,;3.59,-1.5,;2.18,-.85,;2.88,.44,;4.23,-.31,;4.25,-1.85,;-2.35,.34,;-2.39,1.88,;-3.75,2.61,;-5.05,1.79,;-6.34,2.51,;-7.62,1.74,;-7.6,.26,;-6.29,-.45,;-4.99,.25,;-3.64,-.47,;-3.59,-2.01,;-4.91,-2.82,;-4.85,-4.35,;-6.16,-5.16,;-7.53,-4.44,;-7.57,-2.9,;-6.27,-2.08,)|
BDBM50175581 O=C(NC(c1ccccc1)c1ccccc1)OC1CN2CCC1CC2 |(1.67,-1.57,;1.69,-.03,;.37,.76,;-.93,.04,;-2.2,.81,;-2.19,2.29,;-3.45,3.05,;-4.76,2.33,;-4.78,.84,;-3.5,.09,;-.95,-1.5,;-2.31,-2.25,;-2.33,-3.79,;-1,-4.59,;.35,-3.83,;.36,-2.29,;3.05,.72,;4.37,-.08,;4.33,-1.62,;5.66,-2.41,;6.36,-1.29,;4.96,-.59,;5.71,.67,;7.03,-.12,;6.99,-1.67,)|
BDBM50176065 C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
BDBM50174702 C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O
BDBM50194649 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
BDBM50194652 O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCNC1
BDBM50194654 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
BDBM50194655 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC1)C1CCCC1
BDBM50194656 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
BDBM50194657 CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
BDBM50194658 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1
BDBM50194659 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCCC2)CC1
BDBM50194646 CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50194647 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
BDBM50194639 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCC2)CC1
BDBM50194640 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
BDBM50194642 CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
BDBM50194643 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
BDBM50194641 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
BDBM50194644 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1
BDBM50194645 O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1
BDBM50198085 COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CCN3C[C@H]4C=C)c2c1 |TLB:10:12:15.16:19.18,THB:20:19:15.16:13.12|
BDBM50201276 CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 |t:8|
BDBM50201277 CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 |(6.24,-16.08,;7.23,-14.91,;8.75,-15.18,;6.71,-13.46,;7.47,-12.12,;9.01,-12.11,;9.77,-10.77,;11.31,-10.76,;12.07,-9.42,;13.61,-9.42,;14.37,-8.09,;13.59,-6.75,;14.36,-5.42,;15.9,-5.41,;12.05,-6.76,;11.28,-8.1,;6.08,-12.04,;4.64,-11.66,;3.45,-12.58,;2.11,-11.81,;.78,-12.58,;.78,-14.13,;2.11,-14.9,;3.45,-14.12,;4.61,-15.01,;6.05,-14.72,)|
BDBM50201278 CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1
BDBM50201279 CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1
BDBM50201280 CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,7:8:11:15.14.13,16:8:11:15.14.13,16:14:11:17.9.8|
BDBM50201281 CN(C)C1(CNCCc2ccc(C)cc2)COc2ccccc2OC1
BDBM50201283 CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1
BDBM50201284 CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1
BDBM50201285 CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1
BDBM50201286 CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1
BDBM50201287 CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1
BDBM50201289 CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1
BDBM50201291 [#6]-[#7](-[#6])C1([#6]-[#7]-[#6]\[#6]=[#6]-2\[#6]-[#6]-[#8]-[#6]-[#6]-2)[#6]-[#8]-c2ccccc2-[#8]-[#6]1
BDBM50201292 CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1
BDBM50201293 CC(C)c1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1
BDBM50201294 CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1
BDBM50201295 CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1
BDBM50201296 CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 |(-6.35,-15.83,;-5.36,-14.65,;-3.84,-14.92,;-5.88,-13.2,;-5.12,-11.87,;-3.58,-11.85,;-2.82,-10.51,;-1.28,-10.5,;-.52,-9.16,;1.02,-9.16,;1.78,-7.83,;1,-6.5,;1.77,-5.16,;-.54,-6.51,;-1.31,-7.85,;-6.51,-11.78,;-7.95,-11.4,;-9.14,-12.32,;-10.48,-11.56,;-11.81,-12.33,;-11.81,-13.87,;-10.48,-14.64,;-9.14,-13.86,;-7.99,-14.75,;-6.55,-14.47,)|
BDBM50201299 CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 |w:3.3|
BDBM50207986 O=C1NC(Cc2ccccc2)(Cc2ccccc2)CN1C1CCN(Cc2ccccc2)CC1
BDBM50207987 Clc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
BDBM50207988 Nc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
BDBM50207990 Fc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2cccs2)c2cccs2)c1
BDBM50207991 O=C1NC(CN1C1CCN(Cc2cccnc2)CC1)(c1ccccc1)c1ccccc1
BDBM50207994 Clc1ccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)cc1
BDBM50207996 O=C1NC(CN1C1CCCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
BDBM50207997 COc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
BDBM50207998 Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(C2CCCCC2)c2ccccc2)c1
BDBM50207999 Clc1cccc(CN2CCC(CC2)N2CC(NC2=O)(C2CCCCC2)c2ccccc2)c1
BDBM50208000 O=C1NC(CN1C1CCN(CCOc2ccccc2)CC1)(c1ccccc1)c1ccccc1
BDBM50208001 Fc1ccc(cc1)C1(CN(C2CCN(Cc3ccccc3)CC2)C(=O)N1)c1ccc(F)cc1
BDBM50208002 O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(C1CCCCC1)c1ccccc1
BDBM50208003 Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
BDBM50208004 Fc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
BDBM50208006 Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(F)c3)CC2)C(=O)N1)c1ccc(F)cc1
BDBM50208007 Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(Cl)c3)CC2)C(=O)N1)c1ccc(F)cc1
BDBM50208008 Oc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
BDBM50208010 O=C1NC(CN1C1CCN(CCc2ccccc2)CC1)(c1ccccc1)c1ccccc1
BDBM50208011 O=C1OC(CN1C1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
BDBM50208014 O=C1NC(CN1C1CC2CCC(C1)N2Cc1ccccc1)(c1ccccc1)c1ccccc1 |TLB:5:6:13:9.10|
BDBM50208015 O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
BDBM50208016 O=C1NC(CN1C1CCN(CCCc2ccccc2)CC1)(c1ccccc1)c1ccccc1
BDBM50208017 CN1CCC(CC1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208018 Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2cccs2)c2cccs2)c1
BDBM50208019 O=C1NC(CN1C1CCN(Cc2cccs2)CC1)(c1ccccc1)c1ccccc1
BDBM50208020 O=C1NC(CN1[C@@H]1CCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
BDBM50208023 O=C1NC(CN1[C@H]1CCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
BDBM50208024 O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(c1cccs1)c1cccs1
BDBM50208025 COc1ccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)cc1
BDBM50208026 O=C1N(Cc2ccccc2)C(CN1C1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50208027 CN1C(=O)N(CC1(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2)CC1
BDBM50208029 C[N+]1(CC(=O)c2cccc(F)c2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50208030 C[N+]1(C)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208031 COCC[N+]1(CCOc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208033 O=C1NC(CN1C1CC[N+](CCOc2ccccc2)(CC#N)C1)(c1ccccc1)c1ccccc1
BDBM50208034 C[N+]1(CC(=O)Nc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208035 C[N+]1(CC(=O)c2ccsc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50208036 C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208037 C[N+]1(Cc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208038 C[N+]1(CCOc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208039 C[N+]1(CCOCc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208041 C[N+]1(CC(=O)c2ccccn2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50208043 C[N+]1(CCc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50208044 C[N+]1(CCOc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208045 C[N+]1(C)CCC(CC1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208046 C[N+]1(CC(=O)c2cccnc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50208047 C[N+]1(CCc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208050 C[N+]1(C)C2CCC1CC(C2)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208051 C[N+]1(CC(=O)c2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
BDBM50208053 C[N+]1(Cc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208054 C[N+]1(CCOc2ccccc2)CC[C@@H](C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208056 C[N+]1(CCCOc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208057 C[N+]1(CCCc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50208058 C[N+]1(CC(=O)c2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
BDBM50212239 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50218043 OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0|
BDBM50218044 Cc1ccc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1C |w:16.18|
BDBM50218045 CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0|
BDBM50218046 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#7]-[#6](=O)C([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1 |w:15.17|
BDBM50218047 OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]12)c1ccccc1 |w:1.0|
BDBM50218048 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#7]-[#6](=O)[C@]([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1
BDBM50218049 OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0|
BDBM50218050 CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1)c1ccc(C)cc1 |w:11.13,1.0|
BDBM50218051 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6@H]-2-[#6@@H](-[#6]-1)-[#6@@H]-2-[#7]-[#6](=O)[C@@]([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1
BDBM50218052 OC(C1CCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0|
BDBM50218053 CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0|
BDBM50218055 CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(O)(C1CCCC1)c1ccccc1)c1ccccc1 |w:11.13,1.0|
BDBM50218056 COC(=O)c1ccc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1 |w:19.21|
BDBM50218057 O[C@@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1
BDBM50218058 OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc4OCOc4c3)C[C@@H]12)c1ccccc1 |w:1.0|
BDBM50218059 OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCc3ccc(Cl)cc3)C[C@@H]12)c1ccccc1 |w:1.0|
BDBM50218060 OC(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0|
BDBM50218061 OC(C1CCCCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccccc1 |w:1.0|
BDBM50218062 OC(C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(Cc3cccs3)C[C@@H]12)c1ccccc1 |w:1.0|
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|
BDBM50220045 C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31
BDBM50220046 C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31
BDBM50220060 CN(C)Cc1c2Cn3c(Cn2c2ccccc12)c(CN(C)C)c1ccccc31
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50223174 O=C1CCON1CC#CC[NH+]1CCCCC1
BDBM50223175 O=C1CCON1CC#CC[NH+]1CCc2ccccc2C1
BDBM50223176 C[N+]1(CC#CCOC2=NOCC2)CCCCC1 |t:7|
BDBM50223164 C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 |t:7|
BDBM50223178 C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc12 |t:7|
BDBM50223179 C[N+]1(CC#CCOc2cc(on2)-c2ccccc2)CCCC1
BDBM50223180 C[NH+](C)CC#CCOc1cc(on1)-c1ccccc1
BDBM50223181 C(C#CCC1=NOCC1)[NH+]1C2CCC1CCC2 |w:10.18,13.15,t:4|
BDBM50223182 O=C1CCON1CC#CCN1CCCC1
BDBM50223184 C(OC1=NOCC1)C#CC[NH+]1CCc2ccccc12 |t:2|
BDBM50223185 C[N+]1(CC#CCN2OCCC2=O)CCCCC1
BDBM50223186 Cc1cc(OCC#CC[NH+]2CCCC2)no1
BDBM50223165 Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
BDBM50223166 C(Oc1cc(on1)-c1ccccc1)C#CC[NH+]1CCCC1
BDBM50223167 C[N+]1(CC#CCN2OCCC2=O)CCc2ccccc2C1
BDBM50223168 C[N+]12CCC(CC1)\C(C2)=N\OCC#CCOc1ccon1 |THB:9:7:2.3:6.5,(-6.38,-12.44,;-6.16,-10.93,;-7.68,-11.58,;-7.87,-10.22,;-6.42,-9.58,;-6.35,-7.96,;-5.91,-9.05,;-5.08,-10.18,;-4.81,-11.56,;-3.98,-9.29,;-2.66,-10.08,;-1.32,-9.33,;0,-10.12,;1.31,-10.9,;2.63,-11.69,;3.98,-10.94,;5.3,-11.74,;6.32,-10.58,;7.73,-11.2,;7.58,-12.73,;6.08,-13.06,)|
BDBM50223960 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223961 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223962 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223963 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223964 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223965 CN1C2CCC1CC(C2)OC(=O)N(Cc1occc1C)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223966 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccc(c1)C#N)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223967 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1Br)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223968 CN1C2CCC1CC(C2)OC(=O)N(CC1CCCCC1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223969 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(cc1)C#N)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223970 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccoc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223971 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1Br)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223972 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(cc1)C#N)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223973 COc1cccc(CN(C(=O)OC2CC3CCC(C2)[N+]3(C)C)c2ccccc2)c1 |w:17.17,14.14,TLB:11:12:19:15.16|
BDBM50223974 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccc(Br)c1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223975 COc1cccc(CN(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2)c1 |w:17.17,14.14,TLB:11:12:19:15.16|
BDBM50223976 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223977 COc1ccc(CN(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2)cc1 |w:16.16,13.13,TLB:10:11:18:14.15|
BDBM50223169 O=C1CCON1CC#CC[NH+]1C2CCC1CCC2
BDBM50223170 Cc1cc(OCC#CC[N+](C)(C)C)no1
BDBM50223978 COc1ccc(CN(C(=O)OC2CC3CCC(C2)[N+]3(C)C)c2ccccc2)cc1 |w:16.16,13.13,TLB:10:11:18:14.15|
BDBM50223979 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccc(cc1)C#N)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223980 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223981 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223982 CN1C2CCC1CC(C2)OC(=O)N(Cc1cccc(Br)c1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223983 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(CC1CCCCC1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223984 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1cccs1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223985 CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223986 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(C)s1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223987 Cc1ccoc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1 |w:16.17,13.14,TLB:10:11:18:14.15|
BDBM50223988 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223989 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccoc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223990 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223991 C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1cccs1 |w:6.7,3.3,THB:10:8:1:4.5|
BDBM50223992 CN1C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223993 Cc1ccsc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1 |w:16.17,13.14,TLB:10:11:18:14.15|
BDBM50223994 CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
BDBM50223995 Cc1ccc(CN(C(=O)OC2CC3CCC(C2)[N+]3(C)C)c2ccccc2)s1 |w:15.15,12.12,TLB:9:10:17:13.14|
BDBM50223171 C(OC1=NOCC1)C#CC[NH+]1CCc2ccccc2C1 |t:2|
BDBM50223172 C[N+]1(CC#CCN2OCCC2=O)CCc2ccccc12
BDBM50223173 C[NH+](C)CC#CCOc1cc(C)on1
BDBM50223163 C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|
BDBM50227866 CC(=O)N1C2CCCC1C=C(CN1C3CCC1CC(C3)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:4.39,8.9,18.22,13.14,16.16,t:10,TLB:1:3:10.35.9:7.5.6,TEB:20:18:12:14.15|
BDBM50225209 CC[N+](CC)(CC)CCOc1ccc(cc1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM50225210 CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(cc1OCC[N+](CC)(CC)CC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM50225215 CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(c1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
BDBM50228397 [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1
BDBM50228363 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1
BDBM50241132 C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10|
BDBM50240680 OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1 |c:17|
BDBM50232153 COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
BDBM50231845 CCN1CCN(CC1)c1ccc(NC(=O)CCC2CCCC2)cc1Cl
BDBM50231856 CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2)cc1Cl
BDBM50252711 CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 |r|
BDBM50252513 Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
BDBM50263837 Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
BDBM50263410 Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4Cl)CC3)c(=O)[nH]c2c1
BDBM50263411 [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50263412 [O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
BDBM50263413 O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCN(Cc2ccccc2C#N)CC1
BDBM50263936 Fc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c(=O)[nH]c2c1
BDBM50263937 Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c2c1
BDBM50263370 FC(F)(F)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50263371 FC(F)(F)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
BDBM50263372 Clc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50263886 Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C#N)CC3)c(=O)[nH]c2c1
BDBM50263887 Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50263888 CCOC(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50263889 Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1
BDBM50263890 Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cccc(F)c2[nH]c1=O
BDBM50263891 Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O
BDBM50263892 Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O
BDBM50263893 Fc1cccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c(=O)[nH]c12
BDBM50258723 FC(F)(F)c1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
BDBM50258656 COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
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|
BDBM50241913 CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(n1)-c1ccccc1O)C(C)C(=O)NC1CCCCN(O)C1=O
BDBM50258439 Brc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
BDBM50259847 CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12 |r|
BDBM50254790 NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
BDBM50253157 CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|
BDBM50248045 C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)|
BDBM50267573 OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
BDBM50267614 OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
BDBM50280521 C[C@@H]1OC(=O)C[C@H]1C\C=C\[C@H]1CCCCN1C
BDBM50280522 CC(CN=O)CC#CCN(C)C
BDBM50280523 CC(CC#CCN1CCCC1)C(C)=O
BDBM50280524 CC(CN=O)CC#CCN1CCCC1
BDBM50280529 CN(C)CC#CCCC(C)=O
BDBM50280560 CCC#CCO\N=C1/CN2CCC1C2 |THB:6:7:13:11.10|
BDBM50280561 CC(O\N=C1/CN2CCC1C2)C#C |THB:3:4:10:8.7|
BDBM50280562 CC#CCC#CCO\N=C1/CN2CCC1C2 |THB:8:9:15:13.12|
BDBM50280563 COCC#CCO\N=C1/CN2CCC1C2 |THB:7:8:14:12.11|
BDBM50280565 Nc1noc(n1)C1CN2CCC1C2 |THB:4:6:12:10.9|
BDBM50280566 CCCC#CCO\N=C1/CN2CCC1C2 |THB:7:8:14:12.11|
BDBM50280567 CC#CCO\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
BDBM50280568 C#CCCO\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
BDBM50280569 C1CC(C1)O\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
BDBM50280570 CC(C)O\N=C1/CN2CCC1C2 |THB:4:5:11:9.8|
BDBM50280572 CCCO\N=C1/CN2CCC1C2 |THB:4:5:11:9.8|
BDBM50280573 C=CCC#CCO\N=C1/CN2CCC1C2 |THB:7:8:14:12.11|
BDBM50280574 CC(C)(C)O\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
BDBM50280575 CCCCC#CCO\N=C1/CN2CCC1C2 |THB:8:9:15:13.12|
BDBM50280621 Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCN)CC1)c1ccccc1NC2=O
BDBM50284961 C[C@@H]1OC2(CC1=O)CCN(C)CC2
BDBM50284962 C[C@H]1OC2(CC1=O)CCN(C)CC2
BDBM50284319 C[C@@H]1OC[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
BDBM50284320 C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C
BDBM50284321 C[C@H](OC(C)=O)[C@H]1[C@@H](COC(C)=O)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C
BDBM50284322 C[C@@H]1O[C@H](OC(C)=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
BDBM50284323 C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
BDBM50284324 C[C@@H]1O[C@H](O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
BDBM50283788 O=Cc1ccc(s1)C1=CN2CCC1CC2 |t:8,(13.96,-3.07,;13.05,-4.33,;11.51,-4.17,;10.74,-2.84,;9.24,-3.16,;9.08,-4.7,;10.48,-5.33,;7.76,-5.48,;7.77,-7.04,;6.44,-7.81,;6.5,-6.55,;7.15,-6.06,;6.44,-4.71,;5.11,-5.48,;5.11,-7.04,)|
BDBM50283789 OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc12 |t:2,(8.36,-5.18,;9.69,-5.95,;8.36,-6.72,;8.38,-8.28,;7.05,-9.05,;7.09,-7.79,;7.75,-7.3,;7.05,-5.95,;5.71,-6.72,;5.71,-8.28,;9.71,-4.4,;8.3,-3.84,;8.08,-2.32,;9.29,-1.36,;10.71,-1.95,;10.93,-3.47,;12.44,-3.83,;13.07,-5.22,;12.39,-6.62,;13.41,-7.75,;12.94,-9.24,;11.44,-9.55,;10.39,-8.4,;10.87,-6.93,)|
BDBM50283790 OC1(c2ccccc2-c2ccccc12)C1=CN2CCC1CC2 |t:17,(4.76,-1.6,;6.09,-2.37,;6.72,-.97,;6.14,.44,;7.05,1.68,;8.57,1.5,;9.18,.09,;8.27,-1.15,;8.57,-2.67,;9.88,-3.45,;9.86,-4.99,;8.53,-5.74,;7.19,-4.95,;7.22,-3.4,;4.76,-3.16,;4.78,-4.71,;3.45,-5.48,;3.49,-4.22,;4.15,-3.74,;3.45,-2.39,;2.11,-3.16,;2.11,-4.71,)|
BDBM50283791 C1CN2CCC1C(C2)=C1c2ccccc2-c2ccccc12 |(7.74,-3.42,;7.74,-4.98,;9.08,-5.75,;9.13,-4.49,;9.79,-4.01,;9.08,-2.65,;10.4,-3.42,;10.42,-4.98,;11.73,-2.63,;13.14,-3.26,;13.62,-4.72,;15.13,-5.03,;16.16,-3.88,;15.67,-2.42,;14.17,-2.11,;13.37,-.77,;13.84,.7,;12.81,1.83,;11.3,1.49,;10.84,.04,;11.87,-1.1,)|
BDBM50283795 OC1(C2=CN3CCC2CC3)c2ccccc2Oc2ccccc12 |t:2,(7.55,-3.18,;8.9,-3.96,;7.56,-4.74,;7.59,-6.28,;6.24,-7.05,;6.3,-5.79,;6.95,-5.32,;6.24,-3.96,;4.9,-4.74,;4.9,-6.28,;8.87,-2.41,;7.52,-1.65,;7.5,-.12,;8.83,.67,;10.19,-.08,;10.19,-1.62,;11.55,-2.37,;11.57,-3.94,;12.9,-4.67,;12.92,-6.19,;11.6,-7,;10.26,-6.24,;10.24,-4.71,)|
BDBM50271706 COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
BDBM50271019 Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
BDBM50291396 CCNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
BDBM50291397 CCOC(=O)N(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
BDBM50292637 Fc1ccc(c(F)c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1
BDBM50292638 Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1
BDBM50291591 CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1CCc1ccccc21
BDBM50291592 CCN(CC)CC#CCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
BDBM50291593 O=C1CC2(CCc3ccccc23)C(=O)N1CC#CCN1CCCC1
BDBM50291594 CCN(CC)CC#CCN1C(=O)CC(C1=O)c1ccccc1
BDBM50291595 CC(C)N(CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc21)C(C)C
BDBM50291596 CCN(CC)CC#CCN1C(=O)CC(C1=O)(c1ccccc1)c1ccccc1
BDBM50291597 CCN(CC)CC#CCN1C(=O)NC2(CCc3ccccc23)C1=O
BDBM50292665 CC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
BDBM50292671 NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
BDBM50291598 CCN(CC)CC#CCN1C(=O)c2ccccc2C1=O
BDBM50291599 CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc21
BDBM50291600 O=C1NC(C(=O)N1CC#CCN1CCCC1)(c1ccccc1)c1ccccc1
BDBM50291601 CC(C)N(CC#CCN1C(=O)CC(C1=O)(c1ccccc1)c1ccccc1)C(C)C
BDBM50291602 CCN(CC)CC#CCN1C(=O)CC2(CCc3ccccc23)C1=O
BDBM50291550 C(OC1=NOCC1)C#CCN1CCCC1 |t:2|
BDBM50292438 [#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
BDBM50292439 [#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
BDBM50291551 C[N+](C)(C)CC#CCN1OCCC1=O
BDBM50291552 CN(C)CC#CCN1OCCC1=O
BDBM50291393 CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1cccc(I)c1
BDBM50291394 CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1ccc(F)cc1
BDBM50291395 CCN(CCCCC1CCN(CC(=O)N2c3ccccc3N(C(=O)c3ccc(F)cc3)C(=O)c3ccccc23)CC1)C(=O)c1ccc(F)cc1
BDBM50288954 OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccc1 |TLB:3:2:12:11.7,4:5:12:11.7,10:11:12:2.5,8:7:12:2.5,THB:13:12:11.7:2.5|
BDBM50289120 CC1CC[NH+](CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 |(12.85,-13.4,;12.69,-11.8,;11.32,-11.17,;11.19,-9.63,;12.48,-8.72,;12.36,-7.22,;10.96,-6.53,;9.68,-7.39,;10.84,-4.96,;12.17,-4.19,;13.39,-5.12,;14.84,-4.54,;15.03,-3.07,;13.83,-2.1,;12.39,-2.69,;11.35,-1.55,;11.88,-.08,;9.79,-1.68,;8.93,-2.98,;7.41,-2.67,;6.4,-3.79,;6.89,-5.24,;8.36,-5.55,;9.4,-4.42,;13.86,-9.38,;13.99,-10.92,)|
BDBM50281902 [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]-c2ccccc-12
BDBM50281903 CN1CCCC[C@H]1\C=C\C1c2ccccc2Cc2ccccc12
BDBM50281904 CN1CCCCC1C\C=C\C1c2ccccc2Cc2ccccc12
BDBM50281905 [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]-c2ccccc-12
BDBM50281906 CN1CCCCC1\C=C\C1C2C=CC=CC2Oc2ccccc12 |c:12,14|
BDBM50281907 [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]-c2ccccc-12
BDBM50281908 CN1CCCCC1\C=C\c1c2ccccc2cc2ccccc12
BDBM50281909 CN1CCCC[C@@H]1\C=C\C1c2ccccc2Cc2ccccc12
BDBM50275262 CC(CCOC(=O)N(C)C)N(C)C
BDBM50275502 Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12
BDBM50275503 Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
BDBM50275504 Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
BDBM50275505 Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
BDBM50275379 FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
BDBM50275557 Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1
BDBM50275558 Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12
BDBM50275559 Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1
BDBM50275560 FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1
BDBM50275588 NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50283792 CC(=O)c1ccc(s1)C1=CN2CCC1CC2 |t:9,(13.7,-5.74,;13.05,-4.33,;13.97,-3.09,;11.53,-4.19,;10.74,-2.85,;9.24,-3.18,;9.1,-4.71,;10.5,-5.33,;7.77,-5.49,;7.79,-7.04,;6.44,-7.81,;5.11,-7.04,;5.11,-5.49,;6.44,-4.72,;7.16,-6.08,;6.51,-6.55,)|
BDBM50283793 COc1ccccc1C(=O)C1=CN2CCC1CC2 |t:11,(11.44,1.23,;12.79,.47,;12.79,-1.08,;14.12,-1.83,;14.15,-3.38,;12.82,-4.16,;11.48,-3.39,;11.46,-1.85,;10.13,-1.1,;10.13,.44,;8.8,-1.87,;8.83,-3.41,;7.49,-4.18,;7.54,-2.92,;8.2,-2.46,;7.49,-1.1,;6.16,-1.87,;6.16,-3.41,)|
BDBM50283794 COc1ccccc1C(O)C1=CN2CCC1CC2 |t:11,(14.36,.8,;15.7,.04,;15.7,-1.5,;17.05,-2.27,;17.05,-3.82,;15.72,-4.59,;14.39,-3.83,;14.38,-2.29,;13.03,-1.53,;13.03,.02,;11.71,-2.3,;11.72,-3.86,;10.39,-4.63,;9.06,-3.86,;9.06,-2.31,;10.39,-1.53,;11.11,-2.88,;10.45,-3.37,)|
BDBM50296330 OC(C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(30.44,-17.2,;29.36,-18.29,;30.69,-19.06,;30.7,-20.6,;32.02,-18.28,;33.36,-19.05,;33.36,-20.59,;34.69,-21.35,;34.67,-22.89,;36,-23.67,;37.34,-22.92,;38.67,-23.7,;40.01,-22.94,;41.33,-23.73,;42.67,-22.97,;42.69,-21.43,;41.35,-20.65,;40.02,-21.41,;36.02,-20.59,;36.02,-19.05,;34.69,-18.27,;35.11,-19.51,;34.06,-19.86,;29.35,-16.75,;28.1,-15.84,;28.57,-14.38,;30.11,-14.37,;30.59,-15.84,;28.02,-19.06,;26.61,-18.44,;25.58,-19.59,;26.36,-20.92,;27.86,-20.59,)|
BDBM50296331 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)|
BDBM50296332 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wD:3.2,(-5.14,-2.55,;-5.14,-1.01,;-3.81,-.24,;-2.47,-1,;-2.47,-2.54,;-1.14,-3.31,;-1.16,-4.85,;.17,-5.63,;1.51,-4.87,;2.83,-5.66,;4.17,-4.9,;4.19,-3.36,;2.85,-2.58,;1.52,-3.34,;.18,-2.54,;.18,-1,;-1.14,-.23,;-.72,-1.47,;-1.77,-1.82,;-6.48,-.25,;-7.81,-1.02,;-7.81,-2.55,;-9.14,-3.32,;-10.48,-2.55,;-10.47,-1.01,;-9.14,-.24,;-9.15,1.3,;-7.81,2.07,;-7.82,3.59,;-6.5,4.36,;-5.17,3.6,;-5.16,2.07,;-6.49,1.3,)|
BDBM50296333 OC1(C(=O)O[C@H]2C[N+]3(CCc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12 |r,wD:5.4,(13.02,-.29,;11.69,-1.07,;13.03,-1.84,;13.03,-3.38,;14.36,-1.06,;15.7,-1.83,;15.7,-3.37,;17.03,-4.13,;17.01,-5.67,;18.34,-6.45,;19.68,-5.7,;21,-6.48,;22.34,-5.73,;22.36,-4.18,;21.02,-3.4,;19.69,-4.16,;18.36,-3.37,;18.36,-1.83,;17.03,-1.05,;17.45,-2.29,;16.4,-2.64,;10.36,-1.84,;10.36,-3.37,;9.03,-4.14,;7.69,-3.37,;7.7,-1.83,;9.03,-1.07,;9.02,.47,;10.36,1.24,;10.35,2.77,;11.67,3.54,;13,2.77,;13.01,1.24,;11.68,.48,)|
BDBM50296334 OC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12 |r,wD:5.4,(30.74,-.3,;29.42,-1.08,;30.75,-1.84,;30.76,-3.39,;32.08,-1.07,;33.42,-1.84,;33.42,-3.38,;34.75,-4.14,;34.74,-5.68,;36.06,-6.46,;37.41,-5.71,;38.73,-6.49,;40.07,-5.73,;41.4,-6.52,;42.74,-5.76,;42.75,-4.22,;41.42,-3.44,;40.08,-4.2,;36.08,-3.38,;36.08,-1.84,;34.75,-1.06,;35.17,-2.3,;34.12,-2.65,;28.08,-1.85,;28.08,-3.38,;26.75,-4.15,;25.41,-3.38,;25.42,-1.84,;26.75,-1.07,;26.74,.47,;28.08,1.23,;28.07,2.76,;29.39,3.53,;30.73,2.77,;30.73,1.24,;29.41,.47,)|
BDBM50296335 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(-4.1,-13.42,;-5.19,-14.51,;-3.85,-15.28,;-3.84,-16.82,;-2.52,-14.5,;-1.18,-15.27,;-1.18,-16.81,;.15,-17.57,;.13,-19.11,;1.46,-19.89,;2.8,-19.14,;4.13,-19.92,;5.47,-19.16,;6.79,-19.95,;8.13,-19.19,;8.14,-17.65,;6.81,-16.87,;5.47,-17.63,;1.48,-16.81,;1.48,-15.27,;.15,-14.49,;.57,-15.73,;-.48,-16.08,;-5.19,-12.97,;-3.86,-12.2,;-3.86,-10.66,;-5.2,-9.89,;-6.54,-10.68,;-6.53,-12.21,;-6.52,-15.28,;-7.85,-14.51,;-9.18,-15.28,;-9.18,-16.83,;-7.83,-17.59,;-6.51,-16.81,)|
BDBM50296336 O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)|
BDBM50296337 O[C@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:10.10,1.31,(-5.17,-27.18,;-6.25,-28.27,;-7.58,-29.04,;-8.99,-28.42,;-10.02,-29.57,;-9.24,-30.9,;-7.74,-30.58,;-4.92,-29.03,;-4.91,-30.57,;-3.58,-28.26,;-2.25,-29.03,;-2.25,-30.57,;-.92,-31.33,;-.93,-32.87,;.39,-33.65,;1.73,-32.89,;3.06,-33.68,;4.4,-32.92,;5.72,-33.7,;7.06,-32.95,;7.08,-31.41,;5.74,-30.62,;4.41,-31.39,;.41,-30.57,;.41,-29.03,;-.92,-28.25,;-.5,-29.49,;-1.55,-29.84,;-6.26,-26.73,;-7.51,-25.83,;-7.04,-24.36,;-5.5,-24.36,;-5.02,-25.82,)|
BDBM50296338 CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12 |r,wD:5.4,(16.43,-28.66,;15.1,-29.44,;16.44,-30.21,;16.44,-31.75,;17.77,-29.43,;19.11,-30.2,;19.11,-31.74,;20.44,-32.5,;20.43,-34.05,;21.75,-34.83,;23.1,-34.07,;24.42,-34.85,;25.77,-34.1,;27.09,-34.88,;28.43,-34.13,;28.45,-32.58,;27.11,-31.8,;25.77,-32.56,;21.77,-31.74,;21.77,-30.2,;20.44,-29.42,;20.86,-30.67,;19.81,-31.02,;15.1,-27.9,;16.42,-27.13,;16.42,-25.6,;15.09,-24.84,;13.77,-25.61,;13.77,-27.13,;12.44,-27.9,;12.44,-29.44,;11.11,-30.21,;11.1,-31.75,;12.44,-32.52,;13.77,-31.75,;13.78,-30.22,)|
BDBM50296339 CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12 |r,wD:5.4,(-3.34,-42.15,;-4.66,-42.93,;-3.33,-43.7,;-3.32,-45.24,;-2,-42.92,;-.66,-43.69,;-.66,-45.23,;.67,-45.99,;.65,-47.53,;1.98,-48.31,;3.32,-47.56,;4.65,-48.34,;5.99,-47.58,;7.31,-48.37,;8.65,-47.61,;8.67,-46.07,;7.33,-45.29,;6,-46.05,;2,-45.23,;2,-43.69,;.67,-42.91,;1.09,-44.15,;.04,-44.5,;-6.07,-43.55,;-6.53,-45.01,;-8.03,-45.34,;-9.07,-44.21,;-8.6,-42.75,;-7.11,-42.42,;-6.34,-41.08,;-6.82,-39.62,;-5.8,-38.48,;-4.29,-38.8,;-3.81,-40.26,;-4.84,-41.4,)|
BDBM50296340 O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(18.52,-46.24,;18.51,-44.7,;19.84,-43.93,;21.18,-44.69,;21.18,-46.23,;22.51,-46.99,;22.49,-48.53,;23.82,-49.32,;25.16,-48.56,;26.49,-49.34,;27.83,-48.58,;29.15,-49.37,;30.49,-48.61,;30.51,-47.07,;29.17,-46.29,;27.84,-47.05,;23.84,-46.23,;23.84,-44.69,;22.51,-43.91,;22.93,-45.16,;21.88,-45.51,;17.18,-43.93,;15.84,-44.71,;14.44,-44.09,;13.41,-45.23,;14.18,-46.56,;15.69,-46.24,;17.17,-42.39,;15.92,-41.49,;16.39,-40.03,;17.93,-40.02,;18.41,-41.48,)|
BDBM50296341 OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccsc1)c1ccsc1 |r,wD:5.4,(-3.84,-.23,;-5.17,-1.01,;-3.83,-1.77,;-3.83,-3.31,;-2.5,-1,;-1.17,-1.77,;-1.17,-3.31,;.16,-4.07,;.15,-5.61,;1.47,-6.39,;2.82,-5.63,;4.14,-6.42,;5.48,-5.66,;6.81,-6.44,;8.15,-5.69,;8.16,-4.15,;6.82,-3.36,;5.49,-4.12,;1.49,-3.31,;1.49,-1.77,;.16,-.99,;.58,-2.23,;-.47,-2.58,;-6.5,-1.78,;-7.91,-1.16,;-8.94,-2.31,;-8.16,-3.64,;-6.66,-3.31,;-5.17,.53,;-6.43,1.43,;-5.96,2.9,;-4.42,2.9,;-3.94,1.44,)|
BDBM50296342 CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(17.34,.29,;16.02,-.49,;17.35,-1.26,;17.36,-2.8,;18.68,-.49,;20.02,-1.25,;20.02,-2.79,;21.35,-3.55,;21.33,-5.09,;22.66,-5.88,;24,-5.12,;25.33,-5.9,;26.67,-5.15,;27.99,-5.93,;29.33,-5.17,;29.35,-3.63,;28.01,-2.85,;26.68,-3.61,;22.68,-2.79,;22.68,-1.25,;21.35,-.47,;21.77,-1.72,;20.72,-2.07,;14.69,-1.27,;13.28,-.65,;12.25,-1.79,;13.02,-3.13,;14.53,-2.8,;16.01,1.05,;14.76,1.95,;15.23,3.41,;16.77,3.42,;17.25,1.95,)|
BDBM50296343 O[C@@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1ccccc1 |r,wU:1.25,wD:5.4,1.0,(17.33,-13.87,;16.24,-14.96,;17.58,-15.73,;17.58,-17.27,;18.91,-14.95,;20.25,-15.72,;20.25,-17.26,;21.57,-18.02,;21.56,-19.56,;22.89,-20.34,;24.23,-19.59,;25.55,-20.37,;26.89,-19.61,;28.22,-20.4,;29.56,-19.64,;29.57,-18.1,;28.24,-17.32,;26.9,-18.08,;22.9,-17.26,;22.9,-15.72,;21.57,-14.94,;22,-16.19,;20.95,-16.54,;16.24,-13.42,;14.98,-12.52,;15.45,-11.05,;16.99,-11.05,;17.47,-12.51,;14.91,-15.73,;13.57,-14.97,;12.24,-15.74,;12.25,-17.28,;13.59,-18.05,;14.92,-17.27,)|
BDBM50296344 O[C@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1ccccc1 |r,wU:1.0,wD:5.4,1.25,(-3.92,-29.37,;-5.01,-30.46,;-3.67,-31.23,;-3.67,-32.77,;-2.34,-30.45,;-1,-31.22,;-1,-32.76,;.33,-33.52,;.31,-35.06,;1.64,-35.84,;2.98,-35.09,;4.3,-35.87,;5.65,-35.11,;6.97,-35.9,;8.31,-35.14,;8.32,-33.6,;6.99,-32.82,;5.65,-33.58,;1.65,-32.76,;1.65,-31.22,;.33,-30.44,;.75,-31.69,;-.3,-32.04,;-5.01,-28.92,;-6.26,-28.02,;-5.79,-26.55,;-4.25,-26.54,;-3.77,-28.01,;-6.34,-31.24,;-7.68,-30.47,;-9.01,-31.24,;-9,-32.78,;-7.66,-33.55,;-6.33,-32.77,)|
BDBM50296345 C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10|
BDBM50296314 O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wD:3.2,(-1.78,.66,;-3.13,-.09,;-3.15,-1.63,;-1.81,-2.4,;-1.81,-3.94,;-.48,-4.7,;.85,-3.94,;.85,-2.4,;-.48,-1.62,;-.06,-2.86,;-1.11,-3.21,;-4.45,.7,;-5.79,-.04,;-5.82,-1.58,;-7.17,-2.33,;-8.5,-1.53,;-8.47,.02,;-7.11,.76,;-7.09,2.3,;-5.74,3.04,;-5.72,4.57,;-4.38,5.32,;-3.05,4.53,;-3.07,2.99,;-4.42,2.25,)|
BDBM50296315 O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2CCc2ccccc12 |r,wD:3.2,(11.07,.93,;9.72,.18,;9.7,-1.36,;11.03,-2.13,;11.03,-3.67,;12.36,-4.43,;13.69,-3.67,;13.69,-2.13,;12.36,-1.35,;12.79,-2.59,;11.73,-2.94,;8.4,.97,;7.1,.12,;7.39,-1.39,;6.23,-2.4,;4.77,-1.89,;4.48,-.38,;5.64,.63,;5.11,2.14,;5.9,3.39,;7.41,3.57,;7.73,5.02,;9.15,5.48,;10.27,4.47,;9.95,3,;8.52,2.55,)|
BDBM50296316 OC1(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2-c2ccccc12 |r,wD:5.4,(23.63,.58,;22.3,-.19,;23.62,-.99,;24.97,-.23,;23.6,-2.53,;24.94,-3.3,;24.94,-4.84,;26.27,-5.6,;27.6,-4.84,;27.6,-3.3,;26.27,-2.52,;26.69,-3.76,;25.64,-4.11,;20.89,-.8,;20.39,-2.25,;18.89,-2.55,;17.87,-1.39,;18.37,.06,;19.87,.36,;20.66,1.68,;20.2,3.15,;21.24,4.28,;22.75,3.94,;23.21,2.47,;22.16,1.34,)|
BDBM50296317 OC(C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-5.41,-13.09,;-6.49,-14.18,;-5.16,-14.95,;-5.15,-16.49,;-3.82,-14.18,;-2.49,-14.94,;-2.49,-16.48,;-1.16,-17.24,;.17,-16.48,;.17,-14.94,;-1.16,-14.16,;-.74,-15.41,;-1.79,-15.76,;-6.5,-12.64,;-7.75,-11.74,;-7.27,-10.27,;-5.73,-10.27,;-5.25,-11.73,;-7.82,-14.96,;-9.24,-14.33,;-10.27,-15.48,;-9.49,-16.81,;-7.99,-16.49,)|
BDBM50296319 O[C@@](C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1ccccc1 |r,wU:1.14,wD:1.0,5.4,(22.11,-13.32,;21.03,-14.42,;22.36,-15.18,;22.37,-16.72,;23.69,-14.41,;25.03,-15.17,;25.03,-16.71,;26.36,-17.48,;27.69,-16.71,;27.69,-15.17,;26.36,-14.4,;26.78,-15.64,;25.73,-15.99,;21.02,-12.88,;22.26,-11.97,;21.78,-10.5,;20.24,-10.51,;19.77,-11.97,;19.69,-15.19,;18.36,-14.42,;17.03,-15.19,;17.03,-16.73,;18.38,-17.5,;19.7,-16.72,)|
BDBM50296320 O[C@](C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1ccccc1 |r,wU:1.0,wD:1.14,5.4,(-4.26,-25.82,;-5.34,-26.92,;-4.01,-27.68,;-4,-29.22,;-2.67,-26.91,;-1.34,-27.67,;-1.34,-29.21,;-.01,-29.98,;1.32,-29.21,;1.32,-27.67,;-.01,-26.9,;.41,-28.14,;-.64,-28.49,;-5.35,-25.38,;-4.11,-24.47,;-4.59,-23,;-6.13,-23.01,;-6.6,-24.47,;-6.67,-27.69,;-8.01,-26.92,;-9.34,-27.69,;-9.33,-29.23,;-7.99,-30,;-6.66,-29.22,)|
BDBM50296321 O[C@@](C1CCCC1)(C(=O)O[C@H]1CN2CCC1CC2)c1cccs1 |r,wU:1.7,wD:1.0,10.10,(9.07,-25.3,;7.98,-26.39,;6.65,-27.17,;5.24,-26.55,;4.22,-27.69,;4.99,-29.03,;6.5,-28.7,;9.32,-27.16,;9.32,-28.7,;10.65,-26.39,;11.99,-27.15,;11.99,-28.69,;13.31,-29.45,;14.64,-28.69,;14.64,-27.15,;13.31,-26.37,;13.74,-27.62,;12.69,-27.97,;7.98,-24.85,;9.21,-23.95,;8.73,-22.48,;7.19,-22.49,;6.72,-23.95,)|
BDBM50296322 O[C@](C1CCCC1)(C(=O)O[C@H]1CN2CCC1CC2)c1cccs1 |r,wU:1.0,wD:1.7,10.10,(22.45,-25.53,;21.36,-26.62,;20.03,-27.39,;18.62,-26.77,;17.59,-27.92,;18.37,-29.25,;19.87,-28.93,;22.7,-27.39,;22.7,-28.93,;24.03,-26.61,;25.36,-27.38,;25.36,-28.92,;26.69,-29.68,;28.02,-28.92,;28.02,-27.38,;26.69,-26.6,;27.11,-27.84,;26.06,-28.19,;21.36,-25.08,;22.59,-24.17,;22.11,-22.71,;20.57,-22.71,;20.1,-24.18,)|
BDBM50296324 OC1(C(=O)O[C@H]2C[N+]3(CCc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12 |r,wD:5.4,(16.17,-38.73,;14.84,-39.51,;16.17,-40.3,;17.51,-39.55,;16.14,-41.84,;17.48,-42.61,;17.48,-44.15,;18.81,-44.91,;18.8,-46.46,;20.13,-47.24,;21.47,-46.48,;22.8,-47.27,;24.14,-46.51,;24.15,-44.97,;22.82,-44.18,;21.48,-44.95,;20.14,-44.15,;20.14,-42.61,;18.81,-41.83,;19.24,-43.07,;18.18,-43.42,;13.43,-40.11,;12.94,-41.56,;11.44,-41.86,;10.42,-40.7,;10.91,-39.25,;12.42,-38.95,;13.21,-37.63,;12.75,-36.17,;13.79,-35.04,;15.3,-35.37,;15.75,-36.84,;14.71,-37.97,)|
BDBM50296325 OC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12 |r,wD:5.4,(-3.64,.51,;-4.97,-.27,;-3.64,-1.06,;-2.3,-.31,;-3.67,-2.61,;-2.33,-3.37,;-2.33,-4.92,;-1,-5.68,;-1.01,-7.22,;.32,-8.01,;1.66,-7.25,;2.99,-8.03,;4.33,-7.27,;5.65,-8.06,;7,-7.3,;7.01,-5.76,;5.68,-4.97,;4.34,-5.74,;.33,-4.92,;.33,-3.37,;-1,-2.59,;-.58,-3.84,;-1.63,-4.19,;-6.38,-.88,;-6.87,-2.33,;-8.38,-2.63,;-9.4,-1.47,;-8.9,-.01,;-7.39,.28,;-6.6,1.61,;-7.06,3.07,;-6.02,4.2,;-4.51,3.86,;-4.06,2.39,;-5.1,1.26,)|
BDBM50296328 OC(C(=O)O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.31,-16.65,;-5.4,-17.75,;-4.06,-18.51,;-4.05,-20.05,;-2.73,-17.74,;-1.39,-18.5,;-1.39,-20.04,;-.06,-20.81,;-.08,-22.35,;1.25,-23.13,;1.22,-24.67,;2.55,-25.45,;3.89,-24.69,;3.9,-23.14,;2.58,-22.37,;1.27,-20.04,;1.27,-18.5,;-.06,-17.73,;.36,-18.97,;-.69,-19.32,;-5.4,-16.21,;-6.65,-15.3,;-6.18,-13.83,;-4.64,-13.83,;-4.16,-15.29,;-6.73,-18.52,;-8.14,-17.89,;-9.17,-19.04,;-8.4,-20.37,;-6.89,-20.05,)|
BDBM50296329 OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)|
BDBM50297127 CN1[C@@H]2CC[C@@H]1CC(CC(CNC(N)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|
BDBM50297128 CN1[C@@H]2CC[C@@H]1CC(CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.34.6:3.4,THB:8:7:1:3.4|
BDBM50297129 CCNC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 |r,TLB:17:16:9.10.15:12.13,8:9:16:12.13|
BDBM50297130 CN1[C@@H]2CC[C@@H]1CC(CC(CNC(C)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|
BDBM50297131 CN1[C@@H]2CC[C@@H]1CC(CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.33.6:3.4,THB:8:7:1:3.4|
BDBM50297132 CN1[C@@H]2CC[C@@H]1CC(CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.28.6:3.4,THB:8:7:1:3.4|
BDBM50297133 CN1[C@@H]2CC[C@@H]1CC(CC(c1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.28.6:3.4,THB:8:7:1:3.4|
BDBM50297134 CN1[C@@H]2CC[C@@H]1CC(CC(C(O)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.25.6:3.4,THB:8:7:1:3.4|
BDBM50297135 CN1[C@@H]2CC[C@@H]1CC(CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.32.6:3.4,THB:8:7:1:3.4|
BDBM50304075 CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
BDBM50297307 C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2|
BDBM50311786 CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
BDBM50307921 Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
BDBM50315305 NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r|
BDBM50314592 CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)cc2)cc1Cl
BDBM50314596 CCN1CCN(CC1)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Cl
BDBM50314597 CCN1CCN(CC1)c1ccc(NC(=O)c2cc(ccc2C(F)(F)F)C(F)(F)F)cc1Cl
BDBM50314598 CCN1CCN(CC1)c1ccc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1Cl
BDBM50314599 CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl
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
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50323040 CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50330441 Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
BDBM50337879 O=C(Nc1ccccc1-c1ccccc1)OC1CCNCC1
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
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
BDBM50344269 O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1 |r,wD:3.2,(25.48,4.31,;25.48,2.77,;26.82,2,;28.15,2.77,;29.48,1.99,;30.81,2.76,;30.82,4.3,;29.49,5.07,;28.15,4.3,;28.9,2.98,;30.03,4.1,;24.15,2,;24.15,.46,;22.82,-.31,;22.82,-1.85,;21.48,-2.61,;21.48,-4.15,;22.81,-4.92,;24.15,-4.15,;24.14,-2.61,;22.82,2.77,;22.83,4.31,;21.49,5.08,;20.16,4.31,;20.16,2.76,;21.5,2,)|
BDBM50344270 O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)c1ccccc1 |r,wD:3.2,(-3.52,-8.18,;-3.52,-9.72,;-2.19,-10.49,;-.85,-9.72,;.48,-10.5,;1.81,-9.74,;1.82,-8.2,;.48,-7.42,;-.86,-8.19,;-.1,-9.51,;1.03,-8.39,;-4.85,-10.49,;-4.85,-12.03,;-6.19,-12.8,;-7.6,-12.18,;-8.63,-13.33,;-7.86,-14.66,;-6.36,-14.34,;-6.19,-9.72,;-6.19,-8.18,;-7.52,-7.41,;-8.85,-8.18,;-8.85,-9.73,;-7.52,-10.49,)|
BDBM50344271 O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccsc1)c1ccccc1 |r,wD:3.2,(10.43,-7.93,;10.43,-9.47,;11.77,-10.24,;13.1,-9.47,;14.43,-10.25,;15.76,-9.49,;15.77,-7.95,;14.44,-7.17,;13.1,-7.94,;13.85,-9.26,;14.98,-8.14,;9.1,-10.24,;9.1,-11.78,;7.77,-12.55,;6.36,-11.94,;5.33,-13.08,;6.1,-14.41,;7.61,-14.09,;7.77,-9.47,;7.78,-7.93,;6.44,-7.16,;5.11,-7.93,;5.11,-9.48,;6.45,-10.24,)|
BDBM50344272 CCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |r,wD:7.6,(23.62,-14.44,;23.62,-12.9,;24.95,-12.13,;24.95,-10.59,;26.28,-9.82,;26.28,-8.28,;27.62,-10.59,;28.95,-9.82,;30.28,-10.59,;31.61,-9.83,;31.62,-8.29,;30.29,-7.51,;28.95,-8.28,;29.7,-9.61,;30.83,-8.49,;23.62,-9.82,;23.63,-8.27,;22.29,-7.5,;20.96,-8.27,;20.96,-9.82,;22.3,-10.58,)|
BDBM50344273 CCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |r,wD:8.7,(-8.01,-25.61,;-6.68,-24.84,;-6.68,-23.3,;-5.34,-22.53,;-5.34,-20.99,;-4.01,-20.22,;-4.01,-18.68,;-2.68,-20.99,;-1.34,-20.22,;-.01,-21,;1.32,-20.24,;1.33,-18.7,;-.01,-17.92,;-1.35,-18.69,;-.59,-20.01,;.54,-18.89,;-6.68,-20.22,;-6.67,-18.68,;-8,-17.91,;-9.34,-18.68,;-9.33,-20.23,;-8,-20.99,)|
BDBM50344274 CCCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |r,wD:9.8,(12.29,-26.84,;12.29,-25.3,;10.95,-24.53,;10.95,-22.99,;9.62,-22.22,;9.62,-20.68,;10.95,-19.91,;10.95,-18.37,;12.29,-20.68,;13.62,-19.91,;14.95,-20.69,;16.28,-19.92,;16.29,-18.38,;14.96,-17.61,;13.62,-18.38,;14.37,-19.7,;15.5,-18.58,;8.29,-19.91,;8.3,-18.37,;6.96,-17.6,;5.63,-18.37,;5.63,-19.92,;6.97,-20.68,)|
BDBM50344275 CC(C)N(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |r,wD:7.6,(26.28,-23.64,;24.94,-22.87,;23.61,-23.64,;24.94,-21.33,;26.28,-20.56,;26.28,-19.02,;27.61,-21.33,;28.94,-20.56,;30.28,-21.34,;31.61,-20.58,;31.61,-19.04,;30.28,-18.26,;28.94,-19.03,;29.7,-20.35,;30.82,-19.23,;23.61,-20.56,;23.62,-19.02,;22.29,-18.25,;20.95,-19.02,;20.96,-20.57,;22.29,-21.33,)|
BDBM50344276 O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1ccccc1 |r,wD:3.2,(-3.57,-30.09,;-3.57,-31.63,;-2.23,-32.4,;-.9,-31.63,;.43,-32.41,;1.76,-31.65,;1.77,-30.11,;.44,-29.33,;-.9,-30.1,;-.15,-31.42,;.98,-30.3,;-4.9,-32.4,;-6.23,-31.63,;-7.57,-32.4,;-8.99,-31.78,;-10.02,-32.92,;-9.25,-34.26,;-7.74,-33.94,;-4.9,-33.94,;-3.57,-34.71,;-3.58,-36.25,;-2.24,-37.02,;-.91,-36.25,;-.91,-34.71,;-2.25,-33.94,)|
BDBM50344277 O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1 |r,wD:3.2,(10.96,-30.88,;10.96,-32.42,;12.3,-33.19,;13.63,-32.42,;14.96,-33.19,;16.29,-32.43,;16.3,-30.89,;14.97,-30.12,;13.62,-30.88,;14.38,-32.21,;15.51,-31.09,;9.63,-33.19,;8.3,-32.42,;8.3,-30.88,;9.53,-29.97,;9.06,-28.5,;7.52,-28.5,;7.04,-29.97,;9.63,-34.73,;8.3,-35.5,;6.89,-34.88,;5.86,-36.03,;6.63,-37.36,;8.13,-37.04,)|
BDBM50344278 CCCCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:14.14,(21.3,-35.16,;22.63,-34.39,;23.97,-35.16,;25.3,-34.39,;25.3,-32.85,;23.97,-32.08,;23.97,-30.54,;25.2,-29.63,;24.73,-28.16,;23.19,-28.16,;22.71,-29.63,;26.63,-32.08,;26.63,-30.54,;27.97,-32.85,;29.3,-32.08,;30.63,-32.85,;31.96,-32.09,;31.97,-30.55,;30.64,-29.77,;29.3,-30.54,;30.05,-31.87,;31.18,-30.75,)|
BDBM50344279 Cc1ccc(cc1)N(Cc1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:18.19,(-10.57,-40.15,;-9.24,-40.92,;-9.23,-42.47,;-7.9,-43.23,;-6.58,-42.46,;-6.57,-40.92,;-7.91,-40.15,;-5.25,-43.23,;-5.25,-44.77,;-3.92,-45.54,;-3.92,-47.08,;-2.59,-47.85,;-1.26,-47.08,;-1.26,-45.53,;-2.59,-44.77,;-3.92,-42.46,;-3.92,-40.92,;-2.58,-43.23,;-1.25,-42.46,;.08,-43.24,;1.41,-42.47,;1.42,-40.93,;.09,-40.16,;-1.25,-40.93,;-.5,-42.25,;.63,-41.13,)|
BDBM50344280 Fc1ccc(cc1)N(Cc1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:18.19,(3.95,-40.95,;5.29,-41.72,;6.62,-40.95,;7.95,-41.72,;7.95,-43.26,;6.62,-44.03,;5.29,-43.27,;9.28,-44.03,;9.28,-45.57,;7.95,-46.34,;6.61,-45.56,;5.28,-46.33,;5.28,-47.87,;6.62,-48.64,;7.95,-47.87,;10.61,-43.26,;10.61,-41.72,;11.95,-44.03,;13.28,-43.26,;14.61,-44.04,;15.94,-43.27,;15.95,-41.73,;14.62,-40.96,;13.27,-41.73,;14.03,-43.05,;15.16,-41.93,)|
BDBM50344281 Fc1cccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cccc(F)c2)c1 |r,wD:11.10,(23.52,-50.24,;23.52,-48.7,;22.17,-47.93,;22.18,-46.38,;23.51,-45.62,;24.84,-46.39,;26.17,-45.62,;26.17,-44.08,;27.51,-43.31,;27.51,-41.77,;28.84,-44.08,;30.17,-43.31,;31.5,-44.09,;32.83,-43.33,;32.84,-41.79,;31.51,-41.01,;30.17,-41.78,;30.92,-43.1,;32.05,-41.98,;24.84,-43.31,;23.52,-44.08,;22.19,-43.32,;22.18,-41.77,;23.52,-41,;23.52,-39.46,;24.85,-41.77,;24.84,-47.92,)|
BDBM50344282 Cc1cccc(c1)N(Cc1cc(F)c(F)cc1F)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:21.22,(-3.76,3.63,;-3.76,2.09,;-5.1,1.32,;-5.09,-.22,;-3.76,-.99,;-2.43,-.22,;-2.43,1.32,;-1.1,-.99,;-1.1,-2.53,;-2.43,-3.3,;-3.77,-2.53,;-5.1,-3.29,;-6.43,-2.52,;-5.1,-4.84,;-6.43,-5.61,;-3.76,-5.61,;-2.43,-4.83,;-1.09,-5.6,;.24,-.22,;.24,1.32,;1.57,-.99,;2.9,-.22,;4.24,-.99,;5.57,-.23,;5.57,1.31,;4.24,2.08,;2.9,1.32,;3.66,-.01,;4.78,1.11,)|
BDBM50344283 Fc1cccc(c1)N(Cc1cc(F)c(F)c(F)c1)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:21.22,(13.85,4.33,;13.85,2.79,;12.51,2.02,;12.52,.47,;13.85,-.29,;15.18,.47,;15.18,2.02,;16.51,-.3,;16.51,-1.84,;15.18,-2.61,;13.84,-1.83,;12.51,-2.6,;11.18,-1.83,;12.51,-4.14,;11.18,-4.92,;13.85,-4.91,;13.86,-6.45,;15.18,-4.14,;17.85,.47,;17.85,2.01,;19.18,-.3,;20.51,.47,;21.84,-.3,;23.17,.46,;23.18,2,;21.85,2.78,;20.51,2.01,;21.26,.68,;22.39,1.8,)|
BDBM50344284 O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 |r,wD:3.2,20.24,THB:2:3:9.10:7.6,(12.11,-12.08,;13.44,-12.86,;14.78,-12.1,;14.78,-10.57,;14.5,-9.18,;13.16,-8.57,;13.23,-6.92,;13.67,-8.04,;13.42,-9.94,;11.89,-10.59,;11.69,-9.21,;13.43,-14.39,;14.77,-15.19,;14.73,-16.74,;13.38,-17.48,;13.37,-19.02,;12.02,-19.77,;10.7,-18.97,;10.72,-17.43,;12.06,-16.69,;12.08,-15.14,;10.76,-14.35,;9.42,-15.1,;8.1,-14.31,;8.13,-12.76,;9.47,-12.02,;10.79,-12.81,)|
BDBM50344285 O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2
BDBM50344286 O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 |r,wD:3.2,(-.95,-13.02,;-.95,-14.56,;.39,-15.33,;1.72,-14.56,;3.05,-15.34,;4.38,-14.57,;5.71,-15.34,;7.04,-14.57,;8.38,-15.34,;8.37,-16.87,;9.71,-17.64,;11.04,-16.87,;11.03,-15.32,;9.7,-14.56,;4.39,-13.03,;3.06,-12.26,;1.72,-13.03,;2.47,-14.35,;3.6,-13.23,;-2.28,-15.33,;-2.28,-16.87,;-3.61,-17.64,;-4.94,-16.86,;-6.28,-17.63,;-6.28,-19.17,;-4.93,-19.94,;-3.61,-19.17,;-3.61,-14.56,;-3.6,-13.02,;-4.94,-12.25,;-6.27,-13.02,;-6.27,-14.57,;-4.93,-15.33,)|
BDBM50344287 O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 |r,wD:3.2,(20.32,-12.49,;20.32,-14.03,;21.65,-14.8,;22.99,-14.03,;24.32,-14.81,;25.65,-14.04,;26.97,-14.81,;28.31,-14.04,;29.64,-14.81,;30.97,-14.04,;32.3,-14.81,;33.63,-14.04,;33.63,-12.5,;32.29,-11.73,;30.96,-12.5,;25.66,-12.5,;24.32,-11.73,;22.98,-12.5,;23.74,-13.82,;24.87,-12.7,;18.99,-14.8,;18.99,-16.34,;17.65,-17.11,;16.32,-16.33,;14.99,-17.1,;14.99,-18.64,;16.33,-19.41,;17.66,-18.64,;17.65,-14.03,;17.66,-12.49,;16.33,-11.72,;14.99,-12.49,;15,-14.04,;16.33,-14.8,)|
BDBM50344288 O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 |r,wD:3.2,(.46,-25.61,;.46,-27.15,;1.8,-27.92,;3.13,-27.15,;4.46,-27.93,;5.79,-27.17,;7.12,-27.93,;8.45,-27.16,;9.78,-27.93,;11.12,-27.16,;11.28,-25.62,;12.78,-25.3,;13.55,-26.63,;12.52,-27.78,;5.8,-25.63,;4.47,-24.85,;3.12,-25.62,;3.88,-26.94,;5.01,-25.82,;-.87,-27.92,;-.87,-29.46,;-2.2,-30.23,;-3.54,-29.45,;-4.87,-30.22,;-4.87,-31.76,;-3.53,-32.53,;-2.2,-31.76,;-2.2,-27.15,;-2.2,-25.61,;-3.53,-24.84,;-4.86,-25.61,;-4.86,-27.16,;-3.53,-27.92,)|
BDBM50344289 O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 |r,wD:3.2,(22.07,-23.51,;22.07,-25.05,;23.4,-25.82,;24.74,-25.05,;26.07,-25.83,;27.4,-25.07,;28.72,-25.83,;30.06,-25.06,;31.39,-25.83,;32.72,-25.06,;34.05,-25.83,;35.38,-25.06,;35.38,-23.52,;34.04,-22.75,;32.71,-23.53,;27.41,-23.53,;26.07,-22.75,;24.73,-23.52,;25.49,-24.84,;26.62,-23.72,;20.74,-25.82,;20.74,-27.36,;19.4,-28.13,;18.07,-27.35,;16.74,-28.12,;16.74,-29.66,;18.08,-30.43,;19.41,-29.66,;19.4,-25.05,;19.41,-23.51,;18.08,-22.74,;16.74,-23.51,;16.75,-25.06,;18.08,-25.82,)|
BDBM50344291 O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1 |r,wD:3.2,(21.03,-39.07,;21.03,-40.61,;22.36,-41.38,;23.69,-40.61,;25.03,-41.38,;26.36,-40.62,;27.68,-41.39,;29.01,-40.61,;30.35,-41.38,;31.68,-40.61,;31.84,-39.07,;33.35,-38.75,;34.12,-40.09,;33.09,-41.23,;26.36,-39.08,;25.03,-38.31,;23.69,-39.07,;24.45,-40.4,;25.57,-39.28,;19.69,-41.38,;19.69,-42.92,;18.36,-43.69,;16.95,-43.07,;15.92,-44.21,;16.69,-45.55,;18.19,-45.23,;18.36,-40.61,;18.37,-39.07,;17.04,-38.3,;15.7,-39.07,;15.71,-40.61,;17.04,-41.38,)|
BDBM50344292 O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1 |r,wD:3.2,(-.81,1.63,;-.81,.09,;.52,-.68,;1.85,.09,;3.19,-.68,;4.52,.08,;5.84,-.68,;7.17,.09,;8.51,-.68,;9.84,.09,;11.17,-.69,;12.5,.08,;12.5,1.63,;11.16,2.39,;9.83,1.62,;4.52,1.62,;3.19,2.39,;1.85,1.63,;2.61,.3,;3.73,1.42,;-2.15,-.68,;-2.15,-2.22,;-3.48,-2.99,;-4.89,-2.37,;-5.92,-3.51,;-5.15,-4.84,;-3.65,-4.52,;-3.48,.09,;-3.47,1.64,;-4.8,2.41,;-6.14,1.64,;-6.13,.09,;-4.8,-.68,)|
BDBM50344293 O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 |r,wD:3.2,(21.62,.98,;21.62,-.56,;22.95,-1.33,;24.29,-.56,;25.62,-1.34,;26.95,-.57,;28.27,-1.34,;29.61,-.57,;30.94,-1.34,;32.27,-.57,;32.43,.97,;33.93,1.29,;34.71,-.05,;33.68,-1.19,;26.95,.97,;25.62,1.74,;24.28,.97,;25.04,-.35,;26.16,.77,;20.28,-1.33,;20.28,-2.87,;18.95,-3.64,;17.55,-3.02,;16.52,-4.16,;17.29,-5.49,;18.79,-5.17,;18.95,-.56,;18.96,.98,;17.63,1.75,;16.29,.98,;16.3,-.57,;17.63,-1.33,)|
BDBM50344294 O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 |r,wD:3.2,(.53,-12.66,;.53,-14.2,;1.87,-14.97,;3.2,-14.2,;4.53,-14.98,;5.86,-14.22,;7.19,-14.98,;8.52,-14.21,;9.85,-14.98,;11.19,-14.21,;12.51,-14.98,;13.85,-14.21,;13.85,-12.67,;12.5,-11.9,;11.18,-12.68,;5.87,-12.68,;4.54,-11.9,;3.19,-12.67,;3.95,-13.99,;5.08,-12.87,;-.8,-14.97,;-.8,-16.51,;-2.13,-17.28,;-3.54,-16.66,;-4.57,-17.8,;-3.8,-19.14,;-2.29,-18.82,;-2.13,-14.2,;-2.13,-12.66,;-3.46,-11.89,;-4.79,-12.66,;-4.79,-14.21,;-3.46,-14.97,)|
BDBM50344295 CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 |r,wD:8.7,(18.9,-16.34,;20.24,-15.57,;21.57,-16.34,;22.91,-15.57,;22.91,-14.03,;24.24,-13.26,;24.24,-11.72,;25.57,-14.03,;26.91,-13.26,;28.24,-14.04,;29.57,-13.27,;30.89,-14.04,;32.23,-13.27,;33.56,-14.04,;33.56,-15.57,;34.89,-16.34,;36.22,-15.57,;36.22,-14.02,;34.88,-13.26,;29.58,-11.73,;28.24,-10.96,;26.9,-11.73,;27.66,-13.05,;28.79,-11.93,;21.57,-13.26,;21.58,-11.72,;20.25,-10.95,;18.91,-11.72,;18.92,-13.27,;20.25,-14.03,)|
BDBM50344296 CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)c1ccccc1 |r,wD:8.7,(-3.06,-29.35,;-1.73,-28.58,;-.39,-29.35,;.94,-28.58,;.94,-27.04,;2.27,-26.27,;2.27,-24.73,;3.61,-27.04,;4.94,-26.27,;6.27,-27.05,;7.6,-26.29,;8.93,-27.05,;10.26,-26.28,;11.6,-27.05,;12.93,-26.28,;14.26,-27.05,;15.59,-26.28,;15.59,-24.74,;14.25,-23.97,;12.92,-24.75,;7.61,-24.75,;6.28,-23.97,;4.94,-24.74,;5.69,-26.06,;6.82,-24.94,;-.39,-26.27,;-.38,-24.73,;-1.72,-23.96,;-3.05,-24.73,;-3.05,-26.28,;-1.71,-27.04,)|
BDBM50344297 CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)c1ccccc1 |r,wD:8.7,(18.41,-29.52,;19.75,-28.75,;21.08,-29.52,;22.42,-28.75,;22.42,-27.21,;23.75,-26.44,;23.75,-24.9,;25.08,-27.21,;26.42,-26.44,;27.75,-27.21,;29.08,-26.45,;30.4,-27.21,;31.74,-26.44,;33.07,-27.21,;34.4,-26.44,;34.56,-24.9,;36.07,-24.58,;36.84,-25.91,;35.81,-27.06,;29.09,-24.91,;27.75,-24.14,;26.41,-24.9,;27.17,-26.23,;28.3,-25.11,;21.08,-26.44,;21.09,-24.89,;19.76,-24.12,;18.42,-24.89,;18.43,-26.44,;19.76,-27.21,)|
BDBM50344298 CCCCN(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1 |r,wD:8.7,(-5.8,-41.35,;-4.46,-40.58,;-3.13,-41.35,;-1.8,-40.58,;-1.8,-39.04,;-.46,-38.27,;-.46,-36.73,;.87,-39.04,;2.2,-38.27,;3.54,-39.05,;4.87,-38.29,;6.19,-39.05,;7.52,-38.28,;8.86,-39.05,;10.19,-38.28,;11.52,-39.05,;12.85,-38.28,;12.85,-36.74,;11.51,-35.97,;10.18,-36.75,;4.87,-36.75,;3.54,-35.97,;2.2,-36.74,;2.96,-38.06,;4.08,-36.94,;-3.13,-38.27,;-3.12,-36.73,;-4.45,-35.96,;-5.79,-36.73,;-5.78,-38.28,;-4.45,-39.04,)|
BDBM50344299 Cc1cccc(c1)N(Cc1cc(F)c(F)cc1F)C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2 |r,wD:21.22,(-4.97,4.35,;-4.97,2.81,;-6.31,2.04,;-6.3,.49,;-4.97,-.27,;-3.65,.5,;-3.64,2.04,;-2.32,-.27,;-2.32,-1.81,;-3.65,-2.58,;-4.98,-1.8,;-6.31,-2.57,;-7.65,-1.8,;-6.32,-4.11,;-7.65,-4.89,;-4.97,-4.88,;-3.65,-4.11,;-2.31,-4.87,;-.98,.5,;-.98,2.04,;.35,-.27,;1.68,.5,;3.01,-.28,;4.34,.48,;5.67,-.28,;7,.49,;8.34,-.28,;9.67,.49,;11,-.28,;12.33,.49,;12.33,2.03,;10.99,2.8,;9.66,2.02,;4.35,2.02,;3.02,2.8,;1.68,2.03,;2.43,.71,;3.56,1.83,)|
BDBM50344300 Cc1cccc(c1)N(Cc1cc(F)c(F)cc1F)C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2 |r,wD:21.22,(19.44,3.82,;19.44,2.28,;18.1,1.51,;18.11,-.04,;19.44,-.8,;20.76,-.03,;20.77,1.51,;22.1,-.8,;22.1,-2.34,;20.76,-3.11,;19.43,-2.33,;18.1,-3.1,;16.77,-2.33,;18.1,-4.64,;16.77,-5.41,;19.44,-5.41,;20.77,-4.64,;22.11,-5.4,;23.43,-.03,;23.43,1.51,;24.76,-.8,;26.1,-.03,;27.43,-.81,;28.76,-.04,;30.08,-.81,;31.42,-.04,;32.75,-.81,;34.08,-.04,;35.41,-.81,;36.74,-.04,;36.74,1.5,;35.4,2.27,;34.07,1.5,;28.77,1.5,;27.43,2.27,;26.09,1.5,;26.85,.18,;27.98,1.3,)|
BDBM50344301 Fc1cccc(c1)N(Cc1cc(F)c(F)c(F)c1)C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2 |r,wD:21.22,(-3.92,-9.63,;-3.92,-11.17,;-5.25,-11.94,;-5.25,-13.49,;-3.91,-14.25,;-2.59,-13.48,;-2.58,-11.94,;-1.26,-14.25,;-1.26,-15.79,;-2.59,-16.56,;-3.92,-15.78,;-5.26,-16.55,;-6.59,-15.78,;-5.26,-18.09,;-6.59,-18.86,;-3.91,-18.86,;-3.91,-20.4,;-2.59,-18.09,;.07,-13.48,;.07,-11.94,;1.41,-14.25,;2.74,-13.48,;4.07,-14.26,;5.4,-13.49,;6.73,-14.26,;8.06,-13.49,;9.4,-14.25,;10.73,-13.48,;12.06,-14.26,;13.39,-13.49,;13.39,-11.95,;12.04,-11.18,;10.72,-11.95,;5.41,-11.95,;4.08,-11.18,;2.74,-11.94,;3.49,-13.27,;4.62,-12.15,)|
BDBM50344302 O=C(O[C@H]1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 |r,wD:3.2,(-4.13,3.23,;-4.13,1.69,;-2.8,.92,;-1.47,1.69,;-.13,.92,;1.19,1.68,;1.2,3.22,;-.13,3.99,;-1.47,3.23,;-.71,1.9,;.41,3.02,;-5.46,.92,;-5.46,-.61,;-6.8,-1.38,;-6.8,-2.92,;-5.47,-3.69,;-4.13,-2.91,;-4.14,-1.38,;-6.79,1.69,;-6.79,3.23,;-8.12,4,;-9.46,3.23,;-9.45,1.69,;-8.12,.93,)|
BDBM50344303 O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1 |r,wD:3.2,(10.51,3.48,;10.51,1.94,;11.85,1.17,;13.18,1.94,;14.51,1.17,;15.84,1.93,;15.85,3.47,;14.51,4.25,;13.17,3.48,;13.93,2.15,;15.06,3.27,;9.18,1.17,;9.18,-.37,;7.84,-1.14,;6.51,-.36,;5.18,-1.13,;5.18,-2.67,;6.52,-3.44,;7.85,-2.66,;7.84,1.94,;7.85,3.49,;6.52,4.26,;5.19,3.49,;5.19,1.94,;6.52,1.18,)|
BDBM50334455 Fc1cccc(CCN[C@@H]2C3C4CC5C6CC(C3C46)C25)c1 |r,THB:10:17:15:13.19,9:19:17.18:15,11:18:15:13.19,12:13:17.18:15|
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|
BDBM50352153 C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
BDBM50345692 [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|
BDBM50345693 C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|
BDBM50347782 Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
BDBM50347783 Cc1cc2n(C3CCN(CC3)C3CCOCC3)c(=O)[nH]c2cc1F
BDBM50356966 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
BDBM50356968 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1C |r|
BDBM50356969 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|
BDBM50356970 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(F)c1 |r|
BDBM50356971 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(OC)c1 |r|
BDBM50356972 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1Cl |r|
BDBM50356973 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
BDBM50356974 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)c(F)c1 |r|
BDBM50356975 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(C)cc1 |r|
BDBM50356976 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCCC1 |r|
BDBM50356977 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccs1 |r|
BDBM50356978 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(OC)cc1 |r|
BDBM50355610 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:6.7:11.9.10,1:3:6.7:11.9.10,(10.09,.76,;9.35,2.05,;7.85,2.05,;10.09,3.35,;11.39,2.6,;10.09,4.89,;10.86,3.55,;10.3,2.58,;8.76,2.58,;7.43,3.35,;7.43,4.89,;8.76,5.66,;6.09,5.66,;6.09,7.2,;7.43,7.97,;4.76,7.97,;4.76,9.51,;3.43,10.28,;3.43,7.2,;3.43,5.66,;2.09,4.89,;.76,5.66,;.76,7.2,;2.09,7.97,)|
BDBM50355611 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(CC1)Oc1ccccc1
BDBM50355612 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1ccccc1
BDBM50355613 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](C1)Oc1ccccc1 |r|
BDBM50355614 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](C1)Oc1ccccc1 |r|
BDBM50355615 NC(=O)C(CCCN1CC[C@@H](C1)Oc1ccccc1)(c1ccccc1)c1ccccc1 |r|
BDBM50355622 CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1
BDBM50351402 Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|
BDBM50350021 C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
BDBM50364326 COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
BDBM50363317 Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
BDBM50362394 O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1
BDBM50374004 CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41|
BDBM50374005 CCCCN(CCCC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1
BDBM50374006 CCN(CC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1
BDBM50373832 CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)cc1Cl
BDBM50373833 CCN1CCN(CC1)c1ccc(NC(=O)CC(C)(C)C)cc1Cl
BDBM50373834 CCN1CCN(CC1)c1ccc(NC(=O)CCc2ccccc2)cc1Cl
BDBM50373835 CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
BDBM50373836 CCN1CCN(CC1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1Cl
BDBM50373837 CCN1CCN(CC1)c1ccc(NC(=O)C2CCCCC2)cc1Cl
BDBM50373838 CCN1CCN(CC1)c1ccc(NC(=O)COCc2ccccc2)cc1Cl
BDBM50373839 CCN1CCN(CC1)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1Cl
BDBM50373840 CCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
BDBM50371225 O[C@](C1CCCC1)(C(=O)N[C@@H]1[C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1ccccc1 |r,@:2,13|
BDBM50371194 COc1ccccc1NCCCCCCNCCCCCCCCNCCCCCCNc1ccccc1OC
BDBM50371197 CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(cc1OCC[N+](CC)(CC)CC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM50371198 CC[N+](CC)(CC)CCOc1ccc(cc1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM50371199 CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(c1)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2cc(Cl)ccc12
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50381654 C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)|
BDBM50382118 CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
BDBM50382122 CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1
BDBM50382123 CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
BDBM50382129 CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|
BDBM50366923 CCN(C)C1CCCc2ccncc12
BDBM50366775 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r|
BDBM50366613 COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 |r,THB:17:16:5.18.6:8|
BDBM50366538 C(Oc1nsnc1[C@H]1CN2CC[C@@H]1C2)C#Cc1ccccc1 |r,TLB:6:7:11.10:13|
BDBM50377964 C[N+]1(C)CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
BDBM50378083 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |TLB:4:3:10.11.9:6.7,THB:12:10:3:6.7,1:3:10.11.9:6.7,(8.93,-5.03,;7.4,-5.04,;6.62,-3.72,;6.64,-6.39,;5.29,-5.61,;6.91,-7.92,;5.92,-9.27,;7.1,-8.56,;7.69,-7.22,;9.45,-7.19,;9.72,-8.74,;8.74,-7.92,;9.71,-10.27,;11.04,-11.06,;11.03,-12.6,;12.38,-10.29,;13.71,-11.07,;15.04,-10.31,;12.39,-8.75,;13.74,-8,;13.74,-6.46,;12.41,-5.67,;11.07,-6.44,;11.06,-7.98,)|
BDBM50379278 O=C(N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1coc(n1)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1 |r|
BDBM50379279 CC[C@@H](NCc1cccc(c1)C(=O)NCCOc1ccccc1)c1ccccc1 |r|
BDBM50367741 O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,TLB:2:3:7.6:9.10,(5.68,-6.55,;5.7,-5.33,;7.04,-4.57,;8.59,-4.57,;8.54,-5.86,;9.9,-4.81,;8.96,-3.17,;10.01,-2.65,;9.93,-3.78,;11.26,-4.56,;11.3,-5.75,;4.37,-4.56,;3.61,-5.89,;4.37,-7.23,;3.62,-8.56,;2.07,-8.57,;1.3,-7.23,;2.07,-5.91,;1.27,-4.57,;2.05,-3.22,;1.27,-1.9,;2.02,-.55,;3.57,-.55,;4.35,-1.88,;3.6,-3.22,)|
BDBM50367742 OC(C(=O)O[C@@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
BDBM50369230 C[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |wU:7.10,THB:9:7:2.3:6.5,(-1.62,-6.55,;-1.6,-5.01,;-3.17,-5.68,;-3.37,-4.27,;-1.87,-3.61,;-1.8,-1.94,;-1.34,-3.07,;-.49,-4.23,;-.2,-5.66,;.72,-3.27,;.49,-1.75,;-.95,-1.19,;1.69,-.79,;.73,.42,;2.9,.17,;2.67,1.69,;3.87,2.65,;5.3,2.09,;5.53,.57,;4.33,-.39,;2.65,-1.99,;4.17,-1.76,;5.13,-2.97,;4.57,-4.4,;3.05,-4.63,;2.09,-3.43,)|
BDBM50368854 C[N+](C)=c1ccn(CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1 |(2.66,-2.78,;2.67,-1.54,;3.73,-.93,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.34,1.53,;-6.67,.76,;-8.01,1.53,;-9.34,.75,;-9.33,-.79,;-10.66,-1.57,;-10.66,-3.11,;-11.99,-3.88,;-11.98,-5.43,;-13.31,-6.2,;-13.3,-7.74,;-12.24,-8.36,;-14.64,-8.52,;-15.97,-7.75,;-15.98,-6.21,;-14.65,-5.44,;-14.65,-4.21,;-8,-1.55,;-6.67,-.78,;-1.33,-.77,;,-1.54,)|
BDBM50368855 CC[N+](CC)(CC)CCC[n+]1ccc(\C=N\OCc2c(Cl)cccc2Cl)cc1
BDBM50368856 C[N+](C)(C)CCC[n+]1ccc(\C=N\OCc2c(Cl)cccc2Cl)cc1
BDBM50368857 Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1
BDBM50368858 Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccccc2)cc1
BDBM50368859 Clc1cccc(Cl)c1CO\N=C\c1cc[n+](CCC[n+]2ccc(cc2)C#N)cc1
BDBM50368860 Cc1cc[n+](CCC[n+]2ccc(\C=N\OCc3c(Cl)cccc3Cl)cc2)cc1
BDBM50368882 CC1C2Cc3ccc(O)cc3C1CCN2CC=C |TLB:0:1:10.4.3:14.12.13,15:14:1:10.4.3,THB:9:10:1:14.12.13|
BDBM50367705 COC(=O)C1=CCC[S+](C)C1 |t:4|
BDBM50367706 CCOC(=O)C1=CCC[S+](C)C1 |t:5|
BDBM50368127 CN1[C@H]2CC(C[C@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:8:9:1:3.5.4,8:7:1:3.5.4,THB:10:4:9.7:1|
BDBM50370569 C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
BDBM50370682 [H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
BDBM50370683 O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 |r,wD:20.24,3.2,THB:2:3:7.6:9.10,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4.18,3.72,;-5.76,3.08,;-7.14,3.75,;-6.88,2.32,;-5.51,1.68,;-5.61,0,;-6.05,1.14,;,1.54,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;4,2.31,;2.67,1.54,;1.33,2.31,;1.33,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;,4.62,)|
BDBM50368152 CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|
BDBM50398338 CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O |r|
BDBM50398339 CC1(C)CN(CC\C=C2/c3cccnc3COc3ccc(cc23)C(O)=O)C[C@@H]([C@H]1O)c1ccc(Cl)cc1 |r|
BDBM616973 FC1(F)C[C@@H]1c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |r,THB:16:18:21.22:25|
BDBM50384286 C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)|
BDBM50383522 C[C@@H]1[C@H]2CN(CCC3(CCCCC3)C(O)=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F |r|
BDBM50384295 C(C1CCCCC1)N1C2CCC1CC2
BDBM50387760 O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1
BDBM50387762 O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1
BDBM50392760 CCN(CC)CCOc1ccc(CN2CCC(CC2)C2CCN(Cc3ccc(cc3)C(=O)NC(C)C)CC2)cc1
BDBM50394743 CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12
BDBM50391741 Cc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCOCC3)c2c1
BDBM50391742 O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCOCC1
BDBM50391743 O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1
BDBM50385672 CN(C)CC1COCC(O1)(c1ccccc1)c1ccccc1
BDBM50385673 C[N+](C)(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50385674 C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccccc1 |r|
BDBM50385675 CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
BDBM50385676 CN(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50385677 CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50385678 C[N+](C)(C)C[C@@H]1COC[C@@H](O1)C(c1ccccc1)c1ccccc1 |r|
BDBM50385679 C[N+](C)(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50385680 C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccccc1 |r|
BDBM50385681 CC[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
BDBM50385682 C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
BDBM50385683 C[N+](C)(C)C[C@@H]1COC[C@H](O1)C(c1ccccc1)c1ccccc1 |r|
BDBM50386955 Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1
BDBM50395966 CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
BDBM50396483 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
BDBM50407222 CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50407329 CN1CCC=C(C1)c1nsnc1SCCF |c:4|
BDBM50407330 CN1CCC=C(C1)c1nsnc1SCCCF |c:4|
BDBM50407331 CN1CCC=C(C1)c1nsnc1SCCCCCF |c:4|
BDBM50406547 O=C(CN1CCNCC1)N1c2ncccc2NC(=O)c2cccnc12
BDBM50408903 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2\C1=C/c1ccccc1)CCCN1C(=O)c2ccccc2\C1=C/c1ccccc1
BDBM50408904 CC(C)SC1N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN2C(SC(C)C)c3ccccc3C2=O)C(=O)c2ccccc12
BDBM50408908 CCOC1N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN2C(OCC)c3ccccc3C2=O)C(=O)c2ccccc12
BDBM50408909 CC(C)OC1N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN2C(OC(C)C)c3ccccc3C2=O)C(=O)c2ccccc12
BDBM50408910 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2\C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2\C1=C\c1ccccc1
BDBM50408905 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(O)c2ccccc2C1=O)CCCN1C(O)c2ccccc2C1=O
BDBM50408906 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(c2ccccc2C1=O)c1ccccc1)CCCN1C(c2ccccc2C1=O)c1ccccc1
BDBM50408907 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(Cc2ccccc2)c2ccccc2C1=O)CCCN1C(Cc2ccccc2)c2ccccc2C1=O
BDBM50408911 COC1N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN2C(OC)c3ccccc3C2=O)C(=O)c2ccccc12
BDBM50408912 C[N+](C)(CCCCCC[N+](C)(C)CCCN1Cc2ccccc2C1=O)CCCN1Cc2ccccc2C1=O
BDBM50408525 CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12
BDBM50408527 CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12
BDBM50408529 CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12
BDBM50408530 CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12
BDBM50408532 CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCN
BDBM50408533 CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12
BDBM50408535 CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50408539 CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50408540 CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCN
BDBM50401358 OC12C3C4C5C3C(C3C5CC4C13)N2CCc1cccnc1 |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|
BDBM50401359 OC12C3C4C5C3C(C3C5CC4C13)N2CCc1ccccn1 |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|
BDBM50401361 COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1 |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|
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|
BDBM50401364 OC12C3C4C5C3C(C3C5CC4C13)N2Cc1cccnc1 |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|
BDBM50401365 OC12C3C4C5C3C(C3C5CC4C13)N2Cc1ccccn1 |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|
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|
BDBM50401368 COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC |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|
BDBM50401376 COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |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|
BDBM50401382 COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |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|
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|
BDBM50399710 Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:17.18,wD:20.22,(61.46,-10.56,;62.79,-9.79,;64.13,-10.56,;65.46,-9.79,;66.8,-10.56,;65.46,-8.26,;64.13,-7.48,;62.79,-8.25,;61.46,-7.48,;60.12,-8.25,;61.46,-5.94,;66.79,-7.49,;68.12,-8.26,;69.46,-7.49,;69.46,-5.94,;68.12,-5.17,;66.79,-5.94,;70.79,-5.16,;70.78,-3.63,;72.12,-2.86,;73.45,-3.62,;74.79,-2.85,;76.12,-3.62,;77.46,-2.85,;76.12,-5.16,;73.45,-5.17,;72.13,-5.93,)|
BDBM50403939 Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
BDBM50403940 Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
BDBM50403941 [O-][N+](=O)c1ccc(s1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
BDBM50403942 Clc1ccc(cc1Cl)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
BDBM50403943 Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
BDBM50403944 Clc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
BDBM50403945 Brc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)C1CCC1
BDBM50403946 Oc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
BDBM50403947 Clc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
BDBM50403948 COc1ccc(cc1)N(C1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
BDBM50405717 C[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:1.1,wD:1.2,6.5,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
BDBM50405718 C[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 |wU:1.2,6.5,wD:1.1,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
BDBM50405719 C[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 |wU:6.5,1.1,wD:1.2,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
BDBM50405720 C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:1.2,wD:6.5,1.1,THB:5:6:10.9:12.13,(-.9,-11.74,;-.13,-10.4,;.64,-9.06,;1.2,-11.18,;1.2,-12.72,;2.53,-10.4,;4.08,-10.4,;4.03,-11.69,;5.38,-10.64,;6.78,-11.57,;6.74,-10.39,;5.41,-9.62,;5.49,-8.49,;4.44,-9.01,;-1.47,-9.63,;-2.81,-10.4,;-4.14,-9.63,;-4.14,-8.07,;-2.81,-7.3,;-1.47,-8.07,)|
BDBM50403996 C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12
BDBM50403997 C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\[C@@H]3CCC[C@@H](C)N3C)[C@H]12
BDBM50403998 C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@@H](C)N3C)[C@@H]12
BDBM50404003 C[C@H]1CCC[C@H](\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3C[C@H]3CCCC[C@H]23)N1C
BDBM50404004 C[C@H]1CCC[C@H](\C=C\[C@H]2[C@H]3COC(=O)[C@H]3C[C@H]3CCCC[C@H]23)N1C
BDBM50411207 COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |t:27|
BDBM50415145 CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415146 CN1CCC[C@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415147 CN1CCC[C@@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415148 CN1CCC[C@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415149 CN1CCCC1c1ccc(o1)C(c1ccccc1)c1ccccc1
BDBM50415150 CN1CCCC1c1ccc(o1)C(C1CCCCC1)c1ccccc1
BDBM50415151 C[N+]1(C)CCCC1c1ccc(o1)C(O)(c1ccccc1)c1ccccc1
BDBM50415152 C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
BDBM50415153 C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415154 C[N+]1(C)CCC[C@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415155 C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415156 C[N+]1(C)CCC[C@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|
BDBM50415157 C[N+]1(C)CCCC1c1ccc(o1)C(c1ccccc1)c1ccccc1
BDBM50415158 C[N+]1(C)CCCC1c1ccc(o1)C(C1CCCCC1)c1ccccc1
BDBM50415221 C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C |r|
BDBM50415222 C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|
BDBM50415223 C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C |r|
BDBM50415224 C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
BDBM50415225 C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
BDBM50415212 C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C |r|
BDBM50415213 C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|
BDBM50415214 CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|
BDBM50415215 C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C |r|
BDBM50415216 CC1(C)CO[C@H](C[N+](C)(C)C)CO1 |r|
BDBM50415143 CN1CCCC1c1ccc(o1)C(O)(c1ccccc1)c1ccccc1
BDBM50415144 CN1CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
BDBM50415217 C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|
BDBM50415218 C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|
BDBM50415219 C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|
BDBM50415220 CC1(C)COC[C@@H](C[N+](C)(C)C)O1 |r|
BDBM50401885 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(CC[N+](C)(C)C)Cc2ccccc2)cc1 |r|
BDBM50401886 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C(C)C)C(C)C)cc1 |r|
BDBM50401887 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(C)CCCCCC2)cc1 |r|
BDBM50401888 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCCC2)cc1 |r|
BDBM50401889 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 |r|
BDBM50401890 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)C23CC4CC(CC(C4)C2)C3)cc1 |r,TLB:28:31:34:38.37.36,THB:32:33:36:40.31.39,32:31:34.33.38:36,39:31:34:38.37.36,39:37:34:40.32.31|
BDBM50401891 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1 |r|
BDBM50401892 CC[N+](CC)(CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(cc1)C(=O)OC(C)C)Cc1ccc(Cl)cc1 |r|
BDBM50401893 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 |r|
BDBM50401894 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 |r|
BDBM50401895 CC[N+]1(CCCC1)C1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(cc1)C(=O)OC(C)C |r|
BDBM50401896 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(CC2)[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 |r|
BDBM50401897 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H](C2)[N+](C)(C)Cc2ccc(Cl)cc2)cc1 |r|
BDBM50403547 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
BDBM50401898 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H](C2)[N+](C)(C)Cc2ccc(Cl)cc2)cc1 |r|
BDBM50403484 C[N+]1(C)CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1
BDBM50403485 C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|
BDBM50401873 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2n(Cc3ccc(Cl)cc3)cc[n+]2Cc2ccc(Cl)cc2)cc1 |r|
BDBM50401874 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)Cc2n(C)cc[n+]2Cc2ccc(Cl)cc2)cc1 |r|
BDBM50401875 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)Cc2n(C)cc[n+]2C)cc1 |r|
BDBM50401876 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CCc3ccccc3)CC2)cc1 |r|
BDBM50401877 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](CC3CCc4ccccc4C3)(Cc3ccc(Cl)cc3)CC2)cc1 |r|
BDBM50401878 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](CC3CCCCC3)(Cc3ccc(Cl)cc3)CC2)cc1 |r|
BDBM50401879 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC2)C(C)C)cc1 |r|
BDBM50401880 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CC3CCCCC3)CC2)cc1 |r|
BDBM50401881 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(Cc3ccc4OCOc4c3)CC2)cc1 |r|
BDBM50401882 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(C)(C)C[N+](C)(C)Cc2ccc(Cl)cc2)cc1 |r|
BDBM50401883 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 |r|
BDBM50401884 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc3ccccc3c2)cc1 |r|
BDBM50417457 Cc1nc(cs1)C(=O)N1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1
BDBM50417458 CC(C)c1nc(cs1)C(=O)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
BDBM50417459 CC(C)c1nc(cs1)C(=O)N1CCOC2(CCN(Cc3cccc(Cl)c3)CC2)C1
BDBM50417460 O=C(N1CC=CO1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 |c:4|
BDBM50417428 Cc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccccc2)c1
BDBM50417429 O=C(N1CCC2(CCN(Cc3ccccc3)CC2)CC1)c1ccccc1
BDBM50417430 O=C(N1CCC2(CCN(Cc3ccccc3)CC2)CC1)c1ccco1
BDBM50417431 O=C(N1CCC2(CCN(Cc3ccccc3)CC2)CC1)c1ccsc1
BDBM50417432 Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2ccccc2)cc1
BDBM50417433 Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2ccc3occc3c2)cc1
BDBM50417434 Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2cccs2)cc1
BDBM50417435 Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2cnsn2)cc1
BDBM50417436 Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2ncccn2)cc1
BDBM50417437 Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2cscn2)cc1
BDBM50417438 Cc1nc(cs1)C(=O)N1CCOC2(CCN(Cc3cccc(Cl)c3)CC2)C1
BDBM50417439 CCc1nc(cs1)C(=O)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
BDBM50417440 CC(C)(C)c1nc(cs1)C(=O)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
BDBM50417441 CC(C)c1nc(cs1)C(=O)N1CCOC2(CCN(Cc3ccccc3)CC2)C1
BDBM50417442 CC(C)c1nc(cs1)C(=O)N1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1
BDBM50417443 CC(C)c1nc(cs1)C(=O)N1CCOC2(CCN(Cc3ccccc3C)CC2)C1
BDBM50417444 Cc1nc(cs1)C(=O)N1CCCC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
BDBM50417445 C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1
BDBM50417446 O=C(N1CCC2(CCN(Cc3ccccc3)CC2)CC1)c1ncccn1
BDBM50417447 Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2ccco2)cc1
BDBM50417448 Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2ccoc2)cc1
BDBM50417449 Clc1ccc(CN2CCC3(CC2)CN(CCO3)C(=O)c2ccon2)cc1
BDBM50417450 Cc1nc(cs1)C(=O)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
BDBM50417451 Cc1nc(cs1)C(=O)N1CCCC2(CCN(Cc3ccccc3)CC2)C1
BDBM50417452 Clc1cccc(CN2CCC3(CC2)CCN(CC3)C(=O)c2ccccc2)c1
BDBM50417453 O=C(N1CCC2(CCN(Cc3ccccc3)CC2)CC1)c1cccnc1
BDBM50417454 CCOc1ccccc1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1
BDBM50417455 Cc1ccc(o1)C(=O)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
BDBM50417456 OCc1ccc(o1)C(=O)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
BDBM50416139 C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
BDBM50416140 Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1=CCNCC1 |t:20|
BDBM50416141 C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
BDBM50416166 Clc1csc(n1)-c1ccccc1C(=O)NCC1CCNCC1
BDBM50416206 Clc1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1
BDBM50416725 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(OC)ccc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.84,;6,-9.08,;4.66,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|
BDBM50416726 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;7.32,-11.41,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,;5.99,-9.08,;4.66,-8.31,)|
BDBM50416727 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.01,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.16,-9.04,;14.95,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.41,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.8,;7.79,-13.57,;7.78,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.34,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.12,-12.03,;7.54,-11.7,)|
BDBM50416728 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(=O)(=O)CC |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.68,-11.46,;7.22,-11.46,;5.12,-13.57,;3.79,-12.81,)|
BDBM50416729 CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:4.3,7.7,(21.01,-2.29,;19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.68,-11.46,;7.22,-11.46,)|
BDBM50416730 COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O |r,wD:5.4,8.8,(21.77,-.95,;21.02,-2.29,;19.48,-2.31,;18.72,-3.65,;17.18,-3.67,;16.43,-5.02,;14.89,-5.04,;14.13,-6.38,;14.92,-7.7,;13.38,-7.7,;16.47,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.37,;14.22,-11.71,;12.67,-11.73,;11.88,-10.42,;12.63,-9.07,;11.94,-13.09,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;6.46,-12.8,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.94,-15.61,;12.85,-14.35,;14.39,-14.35,)|
BDBM50416731 COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:5.4,8.8,(17.03,-5.3,;16.28,-6.64,;14.74,-6.66,;13.99,-8,;12.45,-8.02,;11.69,-9.36,;10.15,-9.39,;9.39,-10.73,;10.19,-12.05,;8.64,-12.05,;11.73,-12.03,;12.48,-10.69,;9.43,-13.39,;10.22,-14.71,;9.48,-16.05,;7.94,-16.08,;7.14,-14.77,;7.89,-13.42,;7.2,-17.43,;5.72,-17.91,;4.38,-17.16,;3.05,-17.92,;3.05,-19.48,;4.39,-20.24,;5.72,-19.48,;7.2,-19.96,;8.11,-18.7,;9.65,-18.7,;1.72,-17.15,;.39,-16.38,)|
BDBM50416732 CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2[nH]c1=O |r,wD:4.3,7.7,(20.55,1.43,;19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
BDBM50416733 CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:4.3,7.7,(20.54,1.43,;19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.99,-11.4,;8.65,-12.17,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|
BDBM50416734 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:3.2,6.6,(19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8,;11.4,-6.69,;12.16,-5.34,;11.46,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.98,-11.4,;8.65,-12.16,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|
BDBM50416735 CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:2.1,5.5,(18.25,.07,;16.71,.05,;15.95,-1.29,;14.41,-1.31,;13.66,-2.66,;14.45,-3.97,;12.9,-3.97,;15.99,-3.95,;16.74,-2.62,;13.69,-5.31,;14.48,-6.64,;13.74,-7.98,;12.2,-8,;11.4,-6.69,;12.15,-5.34,;11.46,-9.36,;12.37,-10.62,;13.91,-10.62,;11.46,-11.88,;9.98,-11.4,;8.65,-12.16,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.83,)|
BDBM50416736 CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O |r,wD:2.1,5.5,(6.13,6.12,;4.59,6.1,;3.84,4.76,;2.3,4.74,;1.54,3.39,;2.33,2.07,;.79,2.07,;3.87,2.09,;4.62,3.43,;1.58,.73,;2.37,-.59,;1.62,-1.93,;.08,-1.96,;-.71,-.64,;.04,.7,;-.65,-3.31,;-2.14,-3.79,;-3.47,-3.03,;-4.8,-3.8,;-6.13,-3.02,;-4.8,-5.35,;-3.47,-6.12,;-2.13,-5.35,;-.65,-5.83,;.26,-4.57,;1.8,-4.58,)|
BDBM50416737 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2ccccc2oc1=O |r,wD:3.2,6.6,(19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.98,-9.84,;8.65,-9.08,;7.32,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|
BDBM50416738 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
BDBM50416739 CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)cc(F)c2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;8.66,-12.17,;8.66,-13.71,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
BDBM50416240 Cc1ccc(cc1Cl)-c1ccccc1C(=O)NCC1CCNCC1
BDBM50416244 Fc1ccc(Cl)cc1-c1ccccc1C(=O)NCC1CCNCC1
BDBM50416249 CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1
BDBM50413123 CNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
BDBM50413124 CC(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50413125 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50413126 CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50413127 COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50413128 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413129 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413130 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413131 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413132 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413133 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413134 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413135 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413136 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413137 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413138 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413139 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413140 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413141 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413142 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413143 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC3CC3)C2)cc1 |r|
BDBM50413144 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC)C2)cc1 |r|
BDBM50413145 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3)C2)cc1 |r|
BDBM50413146 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(c3)C(F)(F)F)C2)cc1 |r|
BDBM50413147 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(Cl)c3)C2)cc1 |r|
BDBM50413148 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc4OCOc4c3)C2)cc1 |r|
BDBM50413149 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3OC)C2)cc1 |r|
BDBM50413150 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(OC)c3)C2)cc1 |r|
BDBM50413151 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(OC)cc3)C2)cc1 |r|
BDBM50413152 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(O)c3)C2)cc1 |r|
BDBM50413153 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(c3)C#N)C2)cc1 |r|
BDBM50413103 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 |r|
BDBM50413104 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 |r|
BDBM50413105 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50413106 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(C2)CCCCCC3)cc1 |r|
BDBM50413107 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 |r|
BDBM50413108 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC=C)(Cc3cccc(O)c3)C2)cc1 |r|
BDBM50413109 C[N+]1(Cc2ccc(O)cc2)CCC[C@@H](C1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(s1)C(=O)OC1CCCCC1 |r|
BDBM50413110 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 |r|
BDBM50413111 Cc1nc(no1)-c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50413112 Cc1noc(n1)-c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50413113 CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50412728 C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r|
BDBM50412734 O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1ccc2OCOc2c1
BDBM50413114 Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
BDBM50413115 CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
BDBM50413116 Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)NCc2ccccc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
BDBM50412310 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|
BDBM50412311 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@@H]12 |r|
BDBM50412312 CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
BDBM50412313 CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
BDBM50412314 CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
BDBM50412315 CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
BDBM50412416 C1CNC(C1)c1ccco1
BDBM50413117 Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
BDBM50413118 Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)NCC2CC2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
BDBM50412418 Cc1ccc(o1)[C@@H]1CCC[N+]1(C)C |r|
BDBM50412419 Cc1ccc(o1)[C@H]1CCC[N+]1(C)C |r|
BDBM50412420 C[N+]1(C)CCC[C@H]1c1ccco1 |r|
BDBM50412421 C[N+]1(C)CCC[C@@H]1c1ccco1 |r|
BDBM50413119 CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
BDBM50413120 CCCNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
BDBM50412340 CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|
BDBM50412422 CN1CCC[C@H]1c1ccc(C)o1 |r|
BDBM50412423 CN1CCC[C@@H]1c1ccc(C)o1 |r|
BDBM50412424 CN1CCC[C@H]1c1ccco1 |r|
BDBM50412425 CN1CCC[C@@H]1c1ccco1 |r|
BDBM50412426 Cc1ccc(o1)[C@@H]1CCCN1 |r|
BDBM50412173 CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412174 C[N+](C)(C)C[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412427 Cc1ccc(o1)[C@H]1CCCN1 |r|
BDBM50412428 C1CN[C@@H](C1)c1ccco1 |r|
BDBM50412429 C1CN[C@H](C1)c1ccco1 |r|
BDBM50413121 CCNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|
BDBM50413122 Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)OCC2CC2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50412175 CN1CCC[C@H]1[C@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412176 CN1CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412177 CN1CCC[C@@H]1[C@@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412341 CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50412342 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50412343 CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50412344 CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 |r|
BDBM50412178 CN1CCC[C@H]1[C@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412179 CN1CCC[C@@H]1[C@@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412180 C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412181 C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412182 C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412183 C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50412184 C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50412185 C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50427124 CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)Cc1ccccc1 |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
BDBM50427125 CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1 |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
BDBM50427126 CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1[N+]([O-])=O |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
BDBM50427127 CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1[N+]([O-])=O |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
BDBM50427128 CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1Cl |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
BDBM50427129 CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1Cl |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
BDBM50427130 CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1 |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
BDBM50427131 CN1[C@@H]2C[C@H](OC(C)=O)[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1 |r,TLB:5:4:1:11.12.10,THB:13:11:1:3.4|
BDBM50426233 COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2cccc(F)c2)cc1OC |t:11|
BDBM50426236 CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1F |c:4|
BDBM50426241 CN1CCC(=C(C1)C(=O)OCCc1cccc2ccccc12)c1ccccc1 |c:4|
BDBM50426242 COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11|
BDBM50426253 CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:4|
BDBM50426266 CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:5|
BDBM50426274 CCN1CCC(=C(C1)C(=O)OCCCc1ccc(OC)cc1)c1ccccc1 |c:5|
BDBM50426284 CCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
BDBM50423968 Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
BDBM50423967 Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl
BDBM50424114 Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O
BDBM50424117 CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r|
BDBM50424122 Cc1ccccc1CN1CCC(CC1)N1CC2CC(CC2C1)n1c2ccccc2[nH]c1=O
BDBM50421416 C(c1ccccc1)[N@@+]12CC[C@@]34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N@+]7(Cc8ccccc8)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41 |c:52,t:23|
BDBM50441363 [#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
BDBM50443541 NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r|
BDBM50448372 C[N+](C)(CCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2ccccc2C1=O |t:18|
BDBM50448374 C[N+](C)(CCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2cccc3cccc(C1=O)c23 |t:17|
BDBM50448375 C[N+](C)(CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2cccc3cccc(C1=O)c23 |t:19|
BDBM50448376 CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
BDBM50448369 C[N+](C)(CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2ccccc2C1=O |t:19|
BDBM50448370 C[N+](C)(CCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2cccc3cccc(C1=O)c23 |t:18|
BDBM50448371 C[N+](C)(CCCCCC[N+]1(C)CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23)CC#CCOC1=NOCC1 |t:40,(26.01,-22.81,;26.76,-24.15,;27.54,-22.83,;25.23,-24.16,;24.45,-22.84,;22.91,-22.84,;22.13,-21.52,;20.59,-21.53,;19.81,-20.19,;18.27,-20.2,;19.03,-18.86,;17.49,-18.87,;15.95,-18.88,;15.19,-20.22,;15.97,-21.55,;17.51,-21.54,;13.65,-20.23,;12.88,-18.89,;13.64,-17.57,;11.35,-18.91,;10.58,-17.58,;9.05,-17.57,;8.28,-18.91,;9.04,-20.25,;8.28,-21.58,;9.06,-22.91,;10.59,-22.9,;11.35,-21.57,;12.9,-21.56,;13.67,-22.88,;10.58,-20.24,;27.53,-25.5,;29.07,-25.51,;30.61,-25.5,;32.15,-25.5,;32.92,-26.83,;34.46,-26.82,;35.38,-28.05,;36.84,-27.57,;36.83,-26.03,;35.37,-25.56,)|
BDBM50448377 C[N+](C)(C)CC#CCOC1=NOCC1 |t:9|
BDBM50448378 C[N+](C)(CCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CCCN1C(=O)c2ccccc2C1=O |t:17|
BDBM50445222 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 |r|
BDBM50440247 CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
BDBM50440248 Cc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
BDBM50440249 Cc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
BDBM50440250 CCc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
BDBM50440251 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncc(C)cn3)CC2)nc1 |r|
BDBM50440252 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
BDBM50440253 CCc1cnc(nc1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(OC)cn1 |r|
BDBM50440254 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)cc1 |r|
BDBM50440255 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3nccs3)CC2)nc1 |r|
BDBM50440256 COCC(N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(OC)cn1)c1ccc(cc1)-c1ncccn1
BDBM50440257 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
BDBM50440258 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H](C)c3ccc(cc3)-c3ncccn3)CC2)nc1 |r|
BDBM50440259 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
BDBM50440260 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
BDBM50440261 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
BDBM50440262 COc1ccc(CC(=O)N2CCC3(CN(Cc4ccc(cc4Cl)-c4ncccn4)C3)CC2)cc1
BDBM50440263 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3ncccn3)CC2)nc1 |r|
BDBM50440264 COc1ccc(CC(=O)N2CCC3(CN(C3)[C@H]3CCc4cc(ccc34)-c3nccs3)CC2)nc1 |r|
BDBM50021901 Cl.O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2
BDBM50021904 Cl.O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2
BDBM50021907 Cl.O=C(Nc1ccsc1-c1ccccc1)O[C@@H]1CN2CCC1CC2 |r,wU:16.16,(31.36,-12.32,;32.24,-6.16,;30.91,-6.93,;29.57,-6.15,;29.58,-4.61,;30.82,-3.72,;30.35,-2.26,;28.81,-2.25,;28.33,-3.72,;26.87,-4.18,;25.72,-3.15,;24.26,-3.63,;23.94,-5.14,;25.09,-6.17,;26.55,-5.68,;30.9,-8.47,;32.23,-9.24,;32.23,-10.77,;33.57,-11.55,;34.9,-10.78,;34.91,-9.23,;33.59,-8.46,;32.83,-9.8,;34.33,-10.2,)|
BDBM50021910 Cl.O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(29.91,-10.86,;32.24,-6.16,;30.91,-6.93,;29.57,-6.15,;29.58,-4.61,;30.82,-3.72,;30.35,-2.26,;28.81,-2.25,;28.33,-3.72,;26.87,-4.18,;25.72,-3.15,;24.26,-3.63,;23.94,-5.14,;25.09,-6.17,;26.55,-5.68,;30.9,-8.47,;32.23,-9.24,;32.23,-10.77,;33.57,-11.55,;34.9,-10.78,;34.91,-9.23,;33.59,-8.46,;32.83,-9.8,;34.33,-10.2,)|
BDBM50021919 [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1
BDBM50021935 [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1
BDBM50021938 [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1
BDBM50021918 Cl.O=C(Nc1ncoc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(29.91,-10.86,;32.24,-6.16,;30.91,-6.93,;29.57,-6.15,;29.58,-4.61,;30.82,-3.72,;30.35,-2.26,;28.81,-2.25,;28.33,-3.72,;26.87,-4.18,;25.72,-3.15,;24.26,-3.63,;23.94,-5.14,;25.09,-6.17,;26.55,-5.68,;30.9,-8.47,;32.23,-9.24,;32.23,-10.77,;33.57,-11.55,;34.9,-10.78,;34.91,-9.23,;33.59,-8.46,;32.83,-9.8,;34.33,-10.2,)|
BDBM50021892 [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |TLB:10:8:22:4.3,23:22:8.7.9:4.3,THB:24:22:8.7.9:4.3|
BDBM50021893 O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2
BDBM50021905 Cl.O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(41.69,-11.32,;44.26,-6.71,;42.92,-7.48,;41.59,-6.7,;41.6,-5.16,;42.84,-4.27,;42.37,-2.81,;40.83,-2.8,;40.35,-4.27,;38.89,-4.74,;37.74,-3.7,;36.28,-4.18,;35.96,-5.69,;37.11,-6.72,;38.57,-6.24,;42.92,-9.02,;44.25,-9.79,;44.25,-11.32,;45.58,-12.1,;46.92,-11.33,;46.92,-9.78,;45.61,-9.01,;44.85,-10.35,;46.34,-10.75,)|
BDBM50021909 O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2
BDBM50021911 Cl.O=C(Nc1scnc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wD:16.16,(29.91,-10.86,;32.24,-6.16,;30.91,-6.93,;29.57,-6.15,;29.58,-4.61,;30.82,-3.72,;30.35,-2.26,;28.81,-2.25,;28.33,-3.72,;26.87,-4.18,;25.72,-3.15,;24.26,-3.63,;23.94,-5.14,;25.09,-6.17,;26.55,-5.68,;30.9,-8.47,;32.23,-9.24,;32.23,-10.77,;33.57,-11.55,;34.9,-10.78,;34.91,-9.23,;33.59,-8.46,;32.83,-9.8,;34.33,-10.2,)|
BDBM50021922 [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1
BDBM50021928 [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1
BDBM50021936 [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(c1)C(F)(F)F
BDBM50019289 [Br-].C[N+]1(C)CCC[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r|
BDBM50019290 [Br-].C[N+]1(C)CCC[C@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1 |r|
BDBM50018019 Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
BDBM50066858 [Br-].OC(C(=O)N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(12.06,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.5,-5.84,;8.3,-7.37,;6.88,-7.96,;5.66,-7.02,;5.86,-5.49,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)|
BDBM50066866 O[C@@](C1CCCC1)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:10.10,1.20,(-1.96,.59,;-.74,.79,;.78,1.05,;1.85,-.04,;3.22,.67,;2.97,2.19,;1.44,2.42,;.24,-.4,;1.25,-.23,;-.3,-1.84,;.68,-3.03,;.11,-4.54,;1.15,-5.77,;2.75,-5.49,;3.3,-3.95,;2.27,-2.71,;1.35,-3.62,;2.14,-4.59,;-.2,2.24,;1.05,3.11,;.59,4.58,;-.95,4.59,;-1.44,3.13,)|
BDBM50048350 [I-].C[C@@]1(C[N+](C)(C)C)COCCO1 |r|
BDBM50048351 [I-].C[C@@H]1OCCO[C@@H]1C[N+](C)(C)C |r|
BDBM50048352 [I-].C[N+](C)(C)C[C@@H]1COCCO1 |r|
BDBM50048353 CC1OC2(CS1)CN1CCC2CC1 |(11.51,-9.9,;10.03,-10.68,;8.8,-9.77,;7.54,-10.66,;8.03,-12.15,;9.52,-12.15,;7.54,-9.08,;6.2,-8.31,;5.66,-9.6,;6.74,-10.26,;6.2,-11.43,;4.88,-10.66,;4.88,-9.13,)|
BDBM50066853 [Br-].CN([C@H]1C[N+]2(CCCn3cccc3)CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:3.1,(12.59,3.56,;2.41,3.22,;1.35,3.84,;1.36,5.38,;2.8,6.21,;2.79,7.84,;4.27,8.18,;5.32,7.05,;6.82,7.39,;7.87,6.26,;9.38,6.46,;10.03,5.06,;8.9,4.01,;7.55,4.77,;1.37,8.66,;-.06,7.82,;-.04,6.2,;.4,7.42,;1.49,8.06,;.01,3.08,;-1.05,3.71,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)|
BDBM50066854 [Br-].O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:4.2,(6.57,3.56,;-1.05,3.71,;.01,3.08,;1.35,3.84,;1.36,5.38,;-.06,6.22,;-.03,7.86,;-1.51,8.21,;-2.57,7.1,;-4.07,7.45,;-5.13,6.34,;-6.63,6.7,;-7.69,5.58,;-9.19,5.94,;-9.62,7.42,;-8.56,8.54,;-7.06,8.17,;1.4,8.66,;2.82,7.8,;2.78,6.18,;2.35,7.41,;1.27,8.06,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)|
BDBM50066856 [Br-].O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:4.2,(14.66,-2.25,;2.83,-2.46,;1.6,-2.46,;.83,-1.12,;1.61,.22,;3.27,.22,;4.09,1.64,;5.54,1.18,;5.88,-.32,;7.35,-.78,;7.69,-2.28,;9.16,-2.74,;9.49,-4.25,;10.97,-4.7,;12.1,-3.66,;11.76,-2.16,;10.29,-1.7,;3.27,3.05,;1.61,3.05,;.82,1.64,;1.81,2.48,;3.07,2.48,;.82,-3.79,;1.58,-5.13,;3.1,-5.27,;3.42,-6.78,;2.08,-7.55,;.94,-6.51,;-.72,-3.78,;-1.61,-5.02,;-3.07,-4.53,;-3.06,-2.99,;-1.6,-2.53,)|
BDBM50066857 [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(14.66,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.51,-5.84,;8.31,-7.37,;9.54,-8.3,;10.96,-7.7,;11.15,-6.18,;9.93,-5.24,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)|
BDBM50044849 COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C
BDBM50066859 [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(11.66,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;5.93,-5.62,;6.21,-7.13,;7.74,-7.33,;8.4,-5.94,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)|
BDBM50066860 [Br-].OC(C(=O)N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:6.4,(12.05,-2.25,;-.84,-3.54,;.32,-3.97,;1.5,-2.98,;2.66,-3.41,;1.24,-1.46,;2.43,-.47,;3.99,-1.04,;5.25,.01,;6.45,-.91,;6.25,-2.44,;7.48,-3.38,;7.28,-4.9,;8.5,-5.84,;8.3,-7.37,;6.88,-7.96,;5.66,-7.02,;5.86,-5.49,;4.96,1.62,;3.4,2.19,;2.17,1.13,;3.39,1.58,;4.58,1.15,;.58,-5.49,;1.95,-6.15,;1.73,-7.67,;.21,-7.93,;-.5,-6.57,;.06,-2.45,;-1.46,-2.3,;-1.78,-.79,;-.44,-.03,;.7,-1.07,)|
BDBM50066861 O.[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:4:3:15:10.12.9,4:5:15:10.12.9,18:10:15:3.5|
BDBM50066863 O=C(N[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,(-1.05,3.7,;.01,3.08,;1.35,3.84,;1.36,5.38,;-.04,6.17,;-.04,7.78,;1.36,8.59,;2.77,7.78,;2.79,6.16,;1.5,6.26,;1.47,7.51,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)|
BDBM50066864 OC1(C(=O)N[C@H]2CN3CCC2CC3)c2ccccc2-c2ccccc12 |r,wU:5.4,(1.13,-2.03,;,-1.41,;-1.05,-2.61,;-.61,-3.81,;-2.63,-2.33,;-3.67,-3.56,;-3.06,-5.13,;-4.13,-6.43,;-5.8,-6.14,;-6.4,-4.55,;-5.33,-3.24,;-4.36,-4.18,;-5.17,-5.21,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-1.32,.88,;1.32,.88,;2.65,1.65,;4.01,.88,;4.01,-.65,;2.65,-1.41,;1.32,-.65,)|
BDBM50066865 CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:7.6,(-.7,-3.69,;-1.58,-3.17,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.41,;1.1,-1.63,;2.43,-2.41,;2.41,-4.02,;3.81,-4.82,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.73,;4.33,-3.38,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.18,;-5.33,-2.84,;-4.29,-1.71,)|
BDBM50066867 O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(-.26,-3.62,;-.25,-2.38,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-1.57,-1.6,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.19,;-5.34,-2.85,;-4.3,-1.71,;-1.56,-.06,;-2.79,.84,;-2.3,2.29,;-.76,2.28,;-.3,.81,)|
BDBM50066850 OC(C(=O)N[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-4.35,-.27,;-5.71,-.97,;-5.46,-2.49,;-3.94,-2.72,;-.23,-.84,;1.15,-1.49,;2.19,-.36,;1.43,.98,;-.08,.68,)|
BDBM50066851 OC(C(=O)N[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-3.81,-2.79,;-5.33,-3.04,;-6.31,-1.85,;-5.77,-.41,;-4.25,-.16,;-.23,-.84,;1.1,-1.63,;2.44,-.87,;2.45,.67,;1.12,1.45,;-.22,.7,)|
BDBM50066852 [Cl-].CN([C@H]1C[N+]2(CCCOc3ccc(cc3)-c3ccccc3)CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:3.1,(19.44,3.96,;2.41,3.22,;1.35,3.84,;1.36,5.38,;2.8,6.21,;2.79,7.84,;4.27,8.18,;5.32,7.05,;6.82,7.39,;7.87,6.26,;9.37,6.6,;10.42,5.47,;11.92,5.82,;12.37,7.29,;11.33,8.42,;9.83,8.07,;13.88,7.63,;14.93,6.51,;16.43,6.85,;16.88,8.33,;15.83,9.45,;14.33,9.11,;1.37,8.66,;-.06,7.82,;-.04,6.2,;.4,7.42,;1.49,8.06,;.01,3.08,;-1.05,3.71,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)|
BDBM50066862 CN([C@H]1CN2CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:2.1,(2.41,3.22,;1.35,3.84,;1.36,5.38,;2.78,6.15,;2.8,7.76,;1.41,8.59,;-.02,7.79,;-.05,6.18,;1.24,6.26,;1.28,7.52,;.01,3.08,;-1.05,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)|
BDBM50025027 [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:26,t:31|
BDBM50025028 [I-].[I-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:24,t:29|
BDBM50025029 [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:23,t:28|
BDBM50025030 [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:3,8|
BDBM50025031 [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:26,t:31|
BDBM50025032 [I-].[I-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:24,t:29|
BDBM50025033 [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28|
BDBM50025034 [Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(Cc%10ccc(cc%10)[N+]([O-])=O)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(Cc1ccc(cc1)[N+]([O-])=O)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:34|
BDBM50025035 [Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(CC=C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(CC=C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:26|
BDBM50025036 [I-].[I-].[H][C@]12C[C@@]3([H])C4=CO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:24|
BDBM50025038 [H][C@@]12C[C@@]3([H])C(C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N@@+]2(CC=C)CC(=CCO)[C@]4([H])C[C@@]12[H])=CCO |c:24,t:29|
BDBM50025039 [Cl-].[Cl-].[H][C@@]12C[C@@]3([H])\C(C[N+]1(C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(C)C\C(=C\CO)[C@]4([H])C[C@@]12[H])=C/CO |r,c:22,t:27|
BDBM50025040 [Br-].[Br-].[H][C@]12N3\C=C4/[C@]5([H])N(\C=C1\[C@@]1([H])C[C@@]6([H])[C@@]2(CC[N+]6(Cc2ccc(cc2)[N+]([O-])=O)C[C@H]1CC)c1ccccc31)c1ccccc1[C@@]51CC[N+]2(Cc3ccc(cc3)[N+]([O-])=O)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:3,8|
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|
BDBM50030196 CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030221 CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030222 CN1CCC=C(C1)c1nsnc1OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030223 CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030224 CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030225 CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030242 CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
BDBM50030243 OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030245 OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030246 OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030247 OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030248 OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030249 OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50030251 O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1
BDBM50048349 [I-].C[C@H]1OCCO[C@@H]1C[N+](C)(C)C |r|
BDBM50025037 [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CCN9CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CCN2C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:24|
BDBM50042441 COc1ccc(cc1C)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1 |r|
BDBM50066079 CO\N=C\C1=CCCN(C)C1 |t:4|
BDBM50023229 CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
BDBM50023230 CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
BDBM225230 CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
BDBM50128835 O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)[C@@](O)(C3CCCCC3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM50089354 CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r|
BDBM50119646 CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1 |r|
BDBM50119647 CN1CCCC\C1=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
BDBM50119648 C#CCO[C@H]1CN2CCC1CC2 |wU:4.3,(10.21,-8.05,;8.84,-8.8,;7.52,-9.57,;6.13,-8.8,;4.75,-9.57,;4.75,-11.19,;3.37,-11.99,;2.03,-11.19,;2.03,-9.66,;3.37,-8.88,;3.81,-10.1,;3,-10.66,)|
BDBM50119623 C\C(Nc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
BDBM50119630 C\C(NCc1cccc(F)c1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
BDBM50119632 C\C(NCc1ccccc1F)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
BDBM50119635 C\C(NCCc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
BDBM50119636 COc1ccc(CCN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1 |r|
BDBM50119637 CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
BDBM50119638 CN(CCc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
BDBM50119641 CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Cl)cc3)c2c1 |r|
BDBM50119645 CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)c2c1 |r|
BDBM50119626 C\C(NCc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|
BDBM50119639 CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)c2c1 |r|
BDBM50119644 CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(C)cc3)c2c1 |r|
BDBM50174736 Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
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|
BDBM50207517 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c2c1C
BDBM50204312 [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|
BDBM193788 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccccc12 |r,THB:2:3:8.9.10:5.6|
BDBM50207463 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
BDBM50207516 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C
BDBM193784 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccccc12 |r,THB:2:3:8.9.10:5.6|
BDBM193785 COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12 |r,THB:12:11:10.4.5:7.8|
BDBM193789 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(F)cc12 |r,THB:2:3:8.9.10:5.6|
BDBM193790 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccc(F)cc12 |r,THB:2:3:8.9.10:5.6|
BDBM193791 COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(F)cc12 |r,THB:12:11:10.4.5:7.8|
BDBM193800 COc1ccc2cnn(C[C@H](C)CN3[C@H]4CC[C@@H]3C[C@@H](C4)OCC3CC3)c2c1 |r,THB:12:13:18.19.20:15.16|
BDBM193802 COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12 |r,THB:12:11:10.4.5:7.8|
BDBM193803 COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(OC)cc12 |r,THB:12:11:10.4.5:7.8|
BDBM193804 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1CCCC1)Cn1ncc2ccccc12 |r,THB:2:3:8.9.10:5.6|
BDBM193805 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CCC1)Cn1ncc2ccccc12 |r,THB:2:3:8.9.10:5.6|
BDBM193806 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1nc(C)c2ccccc12 |r,THB:2:3:8.9.10:5.6|
BDBM193807 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2cccc(C)c12 |r,THB:2:3:8.9.10:5.6|
BDBM193808 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC#C)Cn1ncc2ccccc12 |r,THB:2:3:8.9.10:5.6|
BDBM193815 CCCO[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12 |r,THB:12:11:10.4.5:7.8|
BDBM193818 COC\C=C1\C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12 |r,THB:12:11:10.4.5:7.8|
BDBM193819 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2cc(C)ccc12 |r,THB:2:3:8.9.10:5.6|
BDBM193820 COc1ccc2cnn(C[C@H](C)CN3[C@H]4CC[C@@H]3C[C@@H](C4)OCC#C)c2c1 |r,THB:12:13:18.19.20:15.16|
BDBM193823 CCOCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12 |r,THB:13:12:11.5.6:8.9|
BDBM193825 CCOCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12 |r,THB:13:12:11.5.6:8.9|
BDBM193834 CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2 |r,$_AV:13;11;14;15;4;;7;1;2;9;10;3;5;8;12;6$,THB:14:13:7:9.10|
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,)|
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,)|
BDBM193787 C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12 |r,THB:2:3:8.9.10:5.6|
BDBM50213287 CN(CCCCCCCCN(C)CCCCCCN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1)CCCCCCN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
BDBM50213289 CN(CCCCCCCCN(C)CCCCCCN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1)CCCCCCN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1
BDBM50219972 [H][C@]12C[C@@]3([H])CCCC[C@]3([H])[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O
BDBM50219973 [H][C@]12C[C@@]3([H])CCCC[C@@]3([H])[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O
BDBM50219974 [H][C@@]12C[C@]3([H])CCCC[C@]3([H])[C@@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@]1([H])[C@H](C)OC2=O
BDBM50219975 [H][C@@]12C[C@]3([H])CCCC[C@]3([H])[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@]1([H])[C@H](C)OC2=O
BDBM50220521 O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
BDBM50220522 Clc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50220523 O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccccc1)c1cccs1
BDBM50219349 CN(C)CCN(C)C(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:9|
BDBM50219350 CN(C)CCN(C)C(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:9|
BDBM50219351 CN(C)CCNC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
BDBM50219352 CN(C)CCNC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
BDBM50219353 CN(C)CCNC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
BDBM50219354 CN(C)CCC1=C\C(=C/c2ccccn2)c2ccccc12 |t:5|
BDBM50219978 [H][C@@]12C[C@]3([H])CCCC[C@]3([H])[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@]1([H])[C@H](C)OC2=O
BDBM50219976 [H][C@]12C[C@@]3([H])CCCC[C@]3([H])[C@@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O
BDBM50219977 [H][C@]12C[C@@]3([H])CCCC[C@@]3([H])[C@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O
BDBM50219979 [H][C@]12C[C@@]3([H])CCCC[C@@]3([H])[C@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O
BDBM50220549 O=C(CCc1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50220550 O=C(N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50220548 Brc1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50220551 O=C(N(C1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccco1
BDBM50220552 Clc1cccc(Cl)c1N(C1CCN(Cc2ccccc2)CC1)C(=O)c1cccs1
BDBM50220553 CC(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1
BDBM50220554 [O-][N+](=O)c1ccc(cc1)C(=O)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50220555 O=C(Cc1ccccc1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50213288 CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1)CCCCCCN1CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1
BDBM50220556 O=C(C1CCC1)N(C1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM50219390 CN(C)CCC1=C\C(=C/c2cccnc2)c2ccccc12 |t:5|
BDBM50219391 CN(C)CCOC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
BDBM50219392 CN(C)CCOC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
BDBM50219393 O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.07,-3.12,;25.57,-2.78,;26.61,-3.92,;26.14,-5.39,;24.63,-5.72,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
BDBM50219394 CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
BDBM50219395 O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.63,-5.72,;26.14,-5.39,;26.61,-3.92,;25.57,-2.78,;24.07,-3.12,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
BDBM50219396 O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:13,(23.63,-10.62,;22.12,-10.32,;21.1,-11.46,;21.59,-12.93,;20.09,-13.37,;19.7,-14.93,;20.87,-16.02,;22.4,-15.56,;22.75,-14,;22.12,-15.11,;20.87,-15.48,;21.63,-8.85,;22.54,-7.61,;21.63,-6.36,;22.09,-4.91,;23.59,-4.57,;24.05,-3.12,;25.54,-2.78,;26.59,-3.92,;26.12,-5.39,;24.61,-5.71,;20.17,-6.85,;18.83,-6.08,;17.51,-6.87,;17.51,-8.39,;18.83,-9.17,;20.17,-8.39,)|
BDBM50219397 CN1CCN(CC1)C(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:10|
BDBM291687 Cc1ncccc1-c1cnc(NCc2c3CCOc3ccc2F)n2cnnc12
BDBM50229368 Cc1nccn1CC#CCN1CCCC1=O
BDBM50231569 Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
BDBM50229871 [I-].C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1F
BDBM50230694 CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
BDBM280422 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(F)F
BDBM280425 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(C)C
BDBM280439 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(F)(F)F
BDBM280442 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccc(OCC)n1
BDBM280444 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccn1
BDBM280371 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nccn1C
BDBM280373 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cccc1
BDBM280375 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1ccc(Cl)cc1
BDBM280377 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1ccnn1C
BDBM280382 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C
BDBM280386 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1ccc(C)n1
BDBM280390 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C1CC1
BDBM280392 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1cnn(c1)C(C)C
BDBM280408 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
BDBM280413 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(cnc1OC)C(F)(F)F
BDBM50233360 Cc1cc(ccc1Cl)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
BDBM50239981 [H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r,TLB:2:1:13:8.10.7,2:3:13:8.10.7,16:8:13:1.3|
BDBM50240694 Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r|
BDBM50240533 Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
BDBM50240547 Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
BDBM50240543 Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1
BDBM50240546 CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
BDBM50240548 Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1
BDBM50246675 C(OCc1cccnc1)C1CCNC1
BDBM50246702 CN1CCC(COCc2cccnc2)C1
BDBM50246674 C(OC1CCNC1)c1nccs1
BDBM50246706 [O-]C=O.COc1ccccc1CC[N+](C)(C)C
BDBM50246711 [O-]C=O.COc1cccc(CC[N+](C)(C)C)c1
BDBM50246712 [I-].COc1cccc(CCC[N+](C)(C)C)c1
BDBM50246715 [O-]C=O.COc1cccc(c1)C1CC1C[N+](C)(C)C
BDBM50246716 [O-]C=O.COc1cccc2CC[N+](C)(C)Cc12
BDBM50246714 [O-]C=O.COc1cccc(c1)C#CC[N+](C)(C)C
BDBM50246718 [I-].COc1cccc2CCC(Cc12)[N+](C)(C)C
BDBM50246723 [I-].C[N+](C)(C)C1CCc2cccc(O)c2C1
BDBM50246724 [I-].COc1cccc2CC(CCc12)[N+](C)(C)C
BDBM50246725 [O-]C=O.COc1cccc2CC(C[N+](C)(C)C)CCc12
BDBM50246726 [O-]C=O.C[N+](C)(C)CCc1ccc2CCOc2c1
BDBM50246727 COc1cccc2CCC(Cc12)N(C)C
BDBM50246728 [O-]C=O.CCOc1cccc(CC[N+](C)(C)C)c1
BDBM50246729 [O-]C=O.C[N+]1(C)CCC(C1)OCc1nccs1
BDBM50246733 [O-]C=O.C[N+](C)(C)CCc1ccc2ccoc2c1
BDBM50246703 CN1CCCC(C1)OCc1cccnc1
BDBM50246735 [O-]C=O.C[N+](C)(C)CCc1cccc(O)c1
BDBM50246747 [I-].COc1ccccc1C[N+](C)(C)C
BDBM50246734 [O-]C=O.COc1cccc2CCC(C[N+](C)(C)C)Cc12
BDBM50246748 [O-]C=O.COc1cccc(\C=C\C[N+](C)(C)C)c1
BDBM50246749 [O-]C=O.COc1cccc2C[N+](C)(C)CCc12
BDBM50246626 CN(C)C1CCc2cccc(O)c2C1
BDBM50246607 C(OC1CCCNC1)c1cccnc1
BDBM50246627 [O-]C=O.C[N+](C)(C)CCCc1ccc2ccoc2c1
BDBM50246628 [O-]C=O.C[N+](C)(C)C1CCc2ccc3ccoc3c2C1
BDBM50246629 CNCCc1cccc(OC)c1
BDBM50246640 [O-]C=O.COc1ccc(F)c(CC[N+](C)(C)C)c1
BDBM50246641 [O-]C=O.COc1cccc(c1)C(O)C[N+](C)(C)C
BDBM50246652 [O-]C=O.COc1cccc(c1)C(=O)C[N+](C)(C)C
BDBM50246672 [O-]C=O.C[N+](C)(C)CCc1cccc(Cl)c1
BDBM50246673 [O-]C=O.C[N+](C)(C)CCc1cccc(OC(F)(F)F)c1
BDBM50263485 CC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50263486 O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1
BDBM50263487 CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50263493 O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1
BDBM50263494 CCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50263495 O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
BDBM50263496 O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1
BDBM50263501 CCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50263502 O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccccc1
BDBM50263488 O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
BDBM50251208 CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|
BDBM50253080 Cc1nnc2sc(C(=O)NC3CN(C3)c3nc4cccnc4s3)c(N)c2c1C
BDBM50253083 Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)c3ccncc3)c(N)c2c1C
BDBM50249403 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C
BDBM50253091 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(nc3)C(F)(F)F)c(N)c2c1C
BDBM50253107 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccccc3)c(N)c2c1C
BDBM50253126 Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)Oc3ccccc3)c(N)c2c1C
BDBM50250795 COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1
BDBM50249030 COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
BDBM50265979 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
BDBM50265980 [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
BDBM50265994 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]CC([3H])C(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)C1
BDBM50265995 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
BDBM50265999 CN1CCN(CC1)C(=O)COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
BDBM50266000 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)C1
BDBM50265996 CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
BDBM50270739 C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@@H]1CN2CCC1CC2 |r,wU:1.0,22.24,(58.5,-19.15,;57.17,-19.93,;57.17,-18.39,;55.84,-17.61,;54.52,-18.39,;54.49,-19.92,;55.84,-20.69,;53.15,-19.15,;53.16,-17.61,;51.82,-16.84,;50.49,-17.61,;50.5,-19.16,;51.83,-19.92,;53.72,-21.25,;52.18,-21.24,;51.41,-22.58,;52.18,-23.92,;53.73,-23.91,;54.49,-22.57,;58.51,-20.69,;58.51,-22.24,;59.84,-19.93,;61.17,-20.71,;61.16,-22.24,;62.48,-23.02,;63.82,-22.25,;63.83,-20.71,;62.49,-19.94,;61.77,-21.31,;63.05,-21.92,)|
BDBM50268343 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
BDBM50268390 Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
BDBM50265998 CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc12
BDBM50270737 O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:3.2,wD:11.12,(58.89,-7.67,;58.89,-6.13,;60.23,-5.37,;61.56,-6.14,;61.54,-7.68,;62.87,-8.45,;64.2,-7.69,;64.21,-6.15,;62.88,-5.37,;62.16,-6.74,;63.43,-7.35,;57.56,-5.36,;57.56,-3.82,;56.23,-3.04,;54.9,-3.82,;54.87,-5.35,;56.23,-6.12,;53.54,-4.58,;53.54,-3.04,;52.21,-2.27,;50.87,-3.04,;50.88,-4.59,;52.22,-5.35,;54.1,-6.68,;52.56,-6.68,;51.8,-8.01,;52.57,-9.35,;54.12,-9.34,;54.88,-8,)|
BDBM50270738 C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,2.1,(11.64,-32.33,;12.97,-31.58,;14.3,-32.35,;14.29,-33.89,;15.61,-34.66,;16.95,-33.9,;16.95,-32.36,;15.62,-31.58,;14.9,-32.95,;16.17,-33.56,;10.3,-31.57,;10.3,-30.03,;8.97,-29.25,;7.64,-30.03,;7.62,-31.56,;8.97,-32.33,;6.28,-30.79,;6.29,-29.25,;4.95,-28.48,;3.62,-29.25,;3.62,-30.8,;4.96,-31.56,;6.85,-32.89,;5.31,-32.89,;4.54,-34.22,;5.31,-35.56,;6.86,-35.55,;7.62,-34.21,)|
BDBM50270741 C[C@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.21,wD:22.24,(42.31,-18.39,;40.98,-19.16,;40.98,-17.63,;39.65,-16.85,;38.32,-17.63,;38.29,-19.15,;39.65,-19.93,;36.96,-18.38,;36.96,-16.84,;35.63,-16.07,;34.29,-16.85,;34.3,-18.4,;35.64,-19.16,;37.52,-20.49,;35.98,-20.48,;35.21,-21.81,;35.99,-23.15,;37.54,-23.14,;38.3,-21.81,;42.31,-19.93,;42.31,-21.48,;43.64,-19.17,;44.98,-19.94,;44.96,-21.48,;46.29,-22.25,;47.62,-21.49,;47.63,-19.95,;46.3,-19.17,;45.58,-20.55,;46.85,-21.15,)|
BDBM50270742 C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,wD:2.1,(44.01,-33.15,;45.34,-32.4,;46.67,-33.17,;46.66,-34.71,;47.99,-35.48,;49.32,-34.72,;49.33,-33.18,;48,-32.4,;47.27,-33.77,;48.55,-34.38,;42.68,-32.39,;42.67,-30.85,;41.35,-30.07,;40.02,-30.85,;39.99,-32.38,;41.35,-33.15,;38.66,-31.61,;38.66,-30.07,;37.33,-29.3,;35.99,-30.07,;36,-31.62,;37.33,-32.38,;39.22,-33.71,;37.68,-33.71,;36.91,-35.04,;37.69,-36.38,;39.24,-36.37,;40,-35.03,)|
BDBM392076 CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|
BDBM50240552 [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3|
BDBM50270740 O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:11.12,wD:3.2,(41.47,-7.76,;41.47,-6.22,;42.8,-5.45,;44.13,-6.22,;44.12,-7.76,;45.44,-8.53,;46.78,-7.77,;46.79,-6.23,;45.46,-5.45,;44.73,-6.83,;46.01,-7.43,;40.14,-5.45,;40.13,-3.91,;38.81,-3.13,;37.48,-3.91,;37.45,-5.43,;38.81,-6.21,;36.12,-4.66,;36.12,-3.12,;34.79,-2.35,;33.45,-3.13,;33.46,-4.68,;34.79,-5.44,;36.68,-6.77,;35.14,-6.76,;34.37,-8.1,;35.15,-9.43,;36.7,-9.42,;37.46,-8.09,)|
BDBM50270743 C[C@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@@H]1CN2CCC1CC2 |r,wU:1.21,22.24,(10.43,-17.74,;9.11,-18.52,;9.1,-16.98,;7.78,-16.21,;6.45,-16.98,;6.42,-18.51,;7.78,-19.28,;5.08,-17.74,;5.09,-16.2,;3.76,-15.43,;2.42,-16.2,;2.43,-17.75,;3.76,-18.51,;5.65,-19.85,;4.11,-19.84,;3.34,-21.17,;4.12,-22.51,;5.66,-22.5,;6.43,-21.17,;10.44,-19.28,;10.44,-20.83,;11.77,-18.53,;13.1,-19.3,;13.09,-20.84,;14.42,-21.61,;15.75,-20.85,;15.76,-19.31,;14.43,-18.53,;13.7,-19.9,;14.98,-20.51,)|
BDBM50270730 O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:11.12,3.2,(10.27,-7.87,;10.27,-6.34,;11.6,-5.57,;12.93,-6.34,;12.92,-7.88,;14.24,-8.65,;15.58,-7.89,;15.59,-6.35,;14.25,-5.57,;13.53,-6.94,;14.81,-7.55,;8.94,-5.56,;8.93,-4.02,;7.6,-3.25,;6.28,-4.02,;6.25,-5.55,;7.6,-6.32,;4.91,-4.78,;4.92,-3.24,;3.59,-2.47,;2.25,-3.24,;2.26,-4.79,;3.59,-5.56,;5.48,-6.89,;3.94,-6.88,;3.17,-8.21,;3.94,-9.55,;5.49,-9.54,;6.26,-8.21,)|
BDBM50270731 C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:2.1,wD:10.11,(59.71,-34.29,;61.05,-33.54,;62.38,-34.31,;62.36,-35.85,;63.69,-36.62,;65.02,-35.86,;65.03,-34.32,;63.7,-33.54,;62.98,-34.91,;64.25,-35.52,;58.38,-33.53,;58.37,-31.99,;57.05,-31.22,;55.72,-31.99,;55.69,-33.52,;57.05,-34.29,;54.36,-32.75,;54.36,-31.21,;53.03,-30.44,;51.69,-31.21,;51.7,-32.76,;53.04,-33.52,;54.92,-34.86,;53.38,-34.85,;52.61,-36.18,;53.39,-37.52,;54.94,-37.51,;55.7,-36.18,)|
BDBM50270746 C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:10.11,2.1,(29.11,-33.44,;30.44,-32.68,;31.77,-33.45,;31.76,-34.99,;33.08,-35.76,;34.42,-35,;34.43,-33.46,;33.1,-32.68,;32.37,-34.06,;33.65,-34.67,;27.77,-32.68,;27.77,-31.14,;26.45,-30.36,;25.12,-31.14,;25.09,-32.66,;26.45,-33.44,;23.75,-31.9,;23.76,-30.35,;22.43,-29.59,;21.09,-30.36,;21.1,-31.91,;22.43,-32.67,;24.32,-34,;22.78,-33.99,;22.01,-35.33,;22.78,-36.66,;24.33,-36.66,;25.1,-35.32,)|
BDBM50270744 O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:11.12,3.2,(25.85,-7.85,;25.85,-6.31,;27.18,-5.54,;28.51,-6.32,;28.5,-7.85,;29.82,-8.63,;31.16,-7.86,;31.17,-6.33,;29.83,-5.55,;29.11,-6.92,;30.39,-7.53,;24.52,-5.54,;24.51,-4,;23.18,-3.22,;21.86,-4,;21.83,-5.53,;23.18,-6.3,;20.49,-4.76,;20.5,-3.22,;19.17,-2.45,;17.83,-3.22,;17.84,-4.77,;19.17,-5.53,;21.06,-6.86,;19.52,-6.85,;18.75,-8.19,;19.52,-9.52,;21.07,-9.52,;21.84,-8.18,)|
BDBM50270745 C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.0,wD:22.24,(27.76,-18.67,;26.43,-19.45,;26.43,-17.91,;25.1,-17.14,;23.77,-17.91,;23.74,-19.44,;25.1,-20.21,;22.41,-18.67,;22.41,-17.13,;21.08,-16.36,;19.74,-17.13,;19.75,-18.68,;21.09,-19.44,;22.97,-20.78,;21.43,-20.77,;20.66,-22.1,;21.44,-23.44,;22.99,-23.43,;23.75,-22.1,;27.76,-20.21,;27.76,-21.76,;29.1,-19.46,;30.43,-20.23,;30.41,-21.77,;31.74,-22.54,;33.07,-21.78,;33.08,-20.24,;31.75,-19.46,;31.03,-20.83,;32.3,-21.44,)|
BDBM50467780 CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
BDBM50465935 Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|
BDBM50451883 Cc1nnc2sc(C(=O)N3CC(C3)c3ccccc3)c(N)c2c1C
BDBM50464171 Cn1cc(cn1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cn1
BDBM50451549 COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
BDBM50451882 Cc1nnc2sc(C(=O)N3CC(C3)c3cccc(F)c3)c(N)c2c1C
BDBM50370571 COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
BDBM50475675 [Cl-].C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1
BDBM50475676 [I-].[H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C |r|
BDBM50475677 [H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@]1([H])CCCN1C |r|
BDBM50475678 [I-].[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C |r|
BDBM50475679 [I-].[H][C@@]1(C[S@@+]([O-])[C@@H](C)O1)[C@]1([H])CCC[N+]1(C)C |r|
BDBM50475680 CN1CCC=C(C1)C(=O)OCC#C |c:4|
BDBM50475681 [H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@@]1([H])CCCN1C |r|
BDBM50475682 [H][C@@]1(C[S@+]([O-])[C@@H](C)O1)[C@@]1([H])CCCN1C |r|
BDBM50483172 COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
BDBM50483176 OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
BDBM50475683 [I-].[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C |r|
BDBM50475684 [H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCCN1C |r|
BDBM50475685 [H][C@@]1(C[S@@+]([O-])[C@@H](C)O1)[C@]1([H])CCCN1C |r|
BDBM50475686 [H][C@@]1(C[S@@+]([O-])[C@@H](C)O1)[C@@]1([H])CCCN1C |r|
BDBM50475688 [H][C@@]1(C[S@+]([O-])[C@@H](C)O1)[C@]1([H])CCCN1C |r|
BDBM50478149 C[C@@H]1O[C@@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C |r|
BDBM50478150 [H][C@]1(CS[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C
BDBM50478151 [H][C@]1(CS[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C
BDBM50478152 [H][C@]1(CO[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C
BDBM50478154 C[C@H]1O[C@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C |r|
BDBM50478155 CC(=O)O[C@@H]1CN2CCC1CC2 |r,wD:4.3,THB:3:4:7.8:11.10,(6.01,6.72,;4.92,5.63,;5.32,4.14,;3.44,6.03,;2.23,5.07,;2.52,3.64,;1.12,4.29,;-.45,3.62,;-.65,5.03,;.85,5.69,;.92,7.36,;1.38,6.23,)|
BDBM50471767 CC(ON=C1CC2CCC(C1)N2C)C#C |TLB:3:4:11:7.8|
BDBM50471768 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-[#6]-[#6]C#C
BDBM50471769 CC(CC#C)ON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
BDBM50471770 [#6]C#C[#6]-[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
BDBM50478145 [H][C@@]1(CS[C@@H](C)O1)[C@@]1([H])CCC[N+]1(C)C
BDBM50478146 [H][C@@]1(CS[C@@H](C)O1)[C@]1([H])CCC[N+]1(C)C
BDBM50478147 [H][C@]1(CO[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C
BDBM50478148 [H][C@@]1(C[N+](C)(C)C)CS[C@]([H])(C)O1
BDBM50478153 CC(=O)O[C@H]1CN2CCC1CC2 |r,wU:4.3,THB:3:4:7.8:11.10,(6.01,6.72,;4.92,5.63,;5.32,4.14,;3.44,6.03,;2.23,5.07,;2.52,3.64,;1.12,4.29,;-.45,3.62,;-.65,5.03,;.85,5.69,;.92,7.36,;1.38,6.23,)|
BDBM50491131 CCN(CC)CCOC(=O)C(N1CCCCC1)c1ccccc1
BDBM50491118 CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1c(C)cccc1C
BDBM50491119 CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1
BDBM50491120 [Br-].C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1
BDBM50491122 CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1
BDBM50491123 CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1
BDBM50491124 CCN(CC)CCOC(=O)C(O)(C1CCCCC1)c1cccs1
BDBM50491125 CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1
BDBM50491127 [I-].CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
BDBM50491128 CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1 |r|
BDBM50491129 CN1CCC(CC1)OC(=O)C(CO)c1cccc(c1)C(F)(F)F
BDBM50491132 CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C
BDBM50491133 [Br-].CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
BDBM50474519 [Br-].[Br-].CC(C)(C)c1ccc2C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(=O)c4ccccc4C3=O)C(=O)c2c1
BDBM50474520 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2cc3ccccc3cc2C1=O
BDBM50474521 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2nccnc2C1=O)CCCN1C(=O)c2nccnc2C1=O
BDBM50474522 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50474523 [Br-].[Br-].CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23
BDBM50474524 [Br-].[Br-].Cc1ccc2C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(=O)c4cccc5cccc(C3=O)c45)C(=O)c2c1
BDBM50474525 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O)CCCN1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O |TLB:34:35:20.21:28.23,51:52:44.45:59.54,55:54:44.45:47.52,24:23:20.21:30.35,THB:48:47:44.45:59.54,31:30:20.21:28.23,42:44:59.54:47.52,18:20:28.23:30.35,27:28:20.21:30.35,58:59:44.45:47.52,(14.42,-16.71,;13.72,-9.71,;13.19,-18.32,;11.85,-19.11,;10.51,-19.89,;11.08,-17.76,;11.85,-16.43,;11.08,-15.1,;11.85,-13.75,;11.08,-12.42,;11.85,-11.08,;11.07,-9.74,;12.42,-8.96,;9.73,-10.52,;10.3,-8.41,;8.76,-8.41,;7.99,-7.08,;6.45,-7.08,;5.54,-5.83,;5.93,-4.34,;4.04,-6.21,;4.07,-7.91,;-.93,-6.49,;-.2,-7.85,;-1.02,-9.13,;-.3,-10.48,;1.24,-10.55,;2.04,-9.25,;1.33,-7.91,;2.15,-6.6,;1.43,-5.23,;2.24,-3.93,;1.5,-2.57,;-.05,-2.53,;-.84,-3.85,;-.11,-5.19,;5.54,-8.33,;5.93,-9.81,;12.63,-20.45,;14.17,-20.45,;14.94,-21.78,;16.5,-21.78,;17.41,-20.54,;17.01,-19.05,;18.88,-20.93,;18.88,-22.62,;23.85,-21.21,;23.13,-22.55,;23.95,-23.83,;23.24,-25.2,;21.71,-25.25,;20.89,-23.95,;21.61,-22.62,;20.79,-21.31,;21.5,-19.95,;20.7,-18.63,;21.43,-17.27,;22.98,-17.24,;23.78,-18.56,;23.05,-19.9,;17.41,-23.04,;17.01,-24.52,)|
BDBM50474526 [Br-].[Br-].CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(C1=O)c23
BDBM50474527 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50474528 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)C2C(C3c4ccccc4C2c2ccccc32)C1=O |TLB:32:34:37.42:44.49,38:37:35.34:44.49,48:49:35.34:37.42,THB:50:35:37.42:44.49,45:44:35.34:37.42,41:42:35.34:44.49,(14.06,-8,;12.45,-14.17,;10.44,-16.33,;9.08,-15.53,;7.75,-14.76,;9.85,-14.2,;9.08,-12.87,;9.85,-11.51,;9.08,-10.18,;9.85,-8.85,;9.08,-7.49,;9.87,-6.16,;11.21,-6.93,;8.52,-5.36,;10.65,-4.82,;12.19,-4.82,;12.96,-3.49,;14.5,-3.49,;15.42,-2.25,;14.93,-.78,;16.87,-2.72,;18.2,-1.95,;19.55,-2.72,;19.55,-4.26,;18.2,-5.03,;16.87,-4.26,;15.42,-4.75,;14.93,-6.23,;8.31,-16.89,;6.77,-16.89,;5.99,-18.22,;4.45,-18.22,;3.4,-19.37,;3.68,-20.91,;2.01,-18.62,;1.95,-17.22,;.91,-17.5,;.08,-18.81,;.78,-20.14,;-.04,-21.45,;-1.57,-21.38,;-2.27,-20.02,;-1.45,-18.74,;-2.17,-17.38,;-1.36,-16.07,;-2.08,-14.71,;-1.28,-13.41,;.28,-13.45,;1.01,-14.81,;.19,-16.12,;3.68,-16.89,;4.31,-15.46,)|
BDBM50474529 [Br-].[Br-].Cc1ccc2C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(=O)c4cccc5cccc(C3=O)c45)C(=O)c2c1
BDBM50474530 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50474531 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(cc2C1=O)C(F)(F)F)CCCN1C(=O)c2ccccc2C1=O
BDBM50474532 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2nccnc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50474533 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2cc(F)c(F)cc2C1=O
BDBM50474534 [Br-].[Br-].CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(C1=O)c23
BDBM50474535 [Br-].[Br-].Cc1ccc2C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN3C(=O)c4cccc5cccc(C3=O)c45)C(=O)c2c1
BDBM50474536 [Br-].[Br-].CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23
BDBM50474537 [Br-].[Br-].CC(C)(C)c1ccc2C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(=O)c4ccc(cc4C3=O)C(C)(C)C)C(=O)c2c1
BDBM50474538 [Br-].[Br-].Cc1ccc2C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN3C(=O)c4cccc5cccc(C3=O)c45)C(=O)c2c1
BDBM50474539 [Br-].[Br-].Cc1ccc2C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN3C(=O)c4ccccc4C3=O)C(=O)c2c1
BDBM50474540 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
BDBM50474541 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(C1=O)c23)CCCN1C(=O)c2ccccc2C1=O
BDBM50474546 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50474547 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50474548 O=C1N(CCCN(CCCCCCN(CCCN2C(=O)c3ccccc3C2=O)C2CCCCC2)C2CCCCC2)C(=O)c2ccccc12
BDBM50474549 [H][C@@]12CC=CC[C@]1([H])C(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN1C(=O)[C@]3([H])CC=CC[C@]3([H])C1=O)C2=O |c:3,37|
BDBM50474550 C[N+](C)(CCCCCCO)CCCN1C(=O)c2ccccc2C1=O
BDBM50474551 Cc1ccc2C(=O)N(CCCN(CCCCCCN(CCCN3C(=O)c4ccc(C)cc4C3=O)C3CCCCC3)C3CCCCC3)C(=O)c2c1
BDBM50474552 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)CCC1=O
BDBM50474553 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2\C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2\C1=C/c1ccccc1
BDBM50474554 CC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
BDBM50474555 [H][C@@]12CCCC[C@]1([H])C(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN1C(=O)[C@]3([H])CCCC[C@]3([H])C1=O)C2=O
BDBM50474556 C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)CCC1=O)CCCN1C(=O)CCC1=O
BDBM50474557 CC1CC(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)CC(C)C2=O)C1=O
BDBM50474558 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(NC(=O)c2ccccc12)c1ccccc1)CCCN1C(NC(=O)c2ccccc12)c1ccccc1
BDBM50474559 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccnc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50474560 O=C1N(CCCN(CCCCCCN(CCCN2C(=O)c3ccccc3C2=O)CCCc2ccccc2)CCCc2ccccc2)C(=O)c2ccccc12
BDBM50474561 C[C@H]1[C@H](C)C(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)[C@H](C)[C@@H](C)C2=O)C1=O
BDBM50474562 [H][C@@]12CCCC[C@@]1([H])C(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN1C(=O)[C@@]3([H])CCCC[C@]3([H])C1=O)C2=O
BDBM50474563 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)CC2c3ccccc3C(c3ccccc23)C1=O)CCCN1C(=O)c2ccccc2C1=O |TLB:21:20:27.32:33.15.16.18,31:32:25.20:33.15.16.18,34:33:27.32:25.20,THB:17:16:27.32:25.20,28:27:25.20:33.15.16.18,24:25:27.32:33.15.16.18,(6.23,-3.34,;5.14,-4.44,;4.04,-5.54,;6.68,-4.44,;7.45,-5.77,;8.99,-5.77,;9.76,-7.12,;11.3,-7.12,;12.07,-8.45,;13.61,-8.45,;14.38,-7.1,;12.84,-9.78,;14.38,-9.78,;15.92,-9.78,;16.69,-11.11,;18.23,-11.11,;19.14,-12.35,;18.67,-13.82,;20.56,-11.95,;23.25,-12.35,;23.25,-10.34,;24.58,-9.57,;24.58,-8.03,;23.25,-7.26,;21.92,-8.03,;21.92,-9.57,;20.6,-10.34,;20.73,-12.47,;19.42,-13.26,;19.44,-14.79,;20.8,-15.54,;22.1,-14.75,;22.08,-13.21,;19.14,-9.85,;18.67,-8.4,;4.37,-3.11,;2.83,-3.11,;2.06,-1.78,;.52,-1.78,;-.39,-.54,;.09,.93,;-1.87,-1,;-3.24,-.22,;-4.57,-1.01,;-4.57,-2.57,;-3.21,-3.34,;-1.87,-2.57,;-.39,-3.04,;.08,-4.5,)|
BDBM50474564 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O
BDBM50474565 O=C1N(CCCN(CCCCCCN(CCCN2C(=O)c3ccccc3C2=O)CCC#N)CCC#N)C(=O)c2ccccc12
BDBM50474566 CCOC(=O)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
BDBM50474567 CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
BDBM50474568 C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(C1=O)c23)CCCN1C(=O)c2ccccc2C1=O
BDBM50471756 CC#CCCON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
BDBM50471757 [#6]C#C[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
BDBM50471758 [#6]-[#6]C#C[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
BDBM50471759 CN1C2CCC1CC(C2)=NOCC#C |THB:9:7:1:3.4|
BDBM50471760 CN1C2CCC1CC(C2)=NOCCC#C |THB:9:7:1:3.4|
BDBM50471761 [#6]-[#6]-[#6](-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)C#C
BDBM50471762 CN1C2CCC1CC(C2)=NO |THB:9:7:1:3.4|
BDBM50471763 CCC(ON=C1CC2CCC(C1)N2C)C#C |TLB:4:5:12:8.9|
BDBM50471764 CON=C1CC2CCC(C1)N2C |TLB:2:3:10:6.7|
BDBM50471765 CON=C1CCN(C)CC1
BDBM50471766 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-[#6]C#C
BDBM50471771 CN1CCC(CC1)=NO
BDBM50471772 [#6]-[#6](-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)C#C
BDBM50471773 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]C#C
BDBM50471774 CN1C2CCC1CC(C2)=NOCCCC#C |THB:9:7:1:3.4|
BDBM50471775 CCC#CCON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
BDBM50471776 CC#CCON=C1CC2CCC(C1)N2C |TLB:5:6:13:9.10|
BDBM50471777 [#6]-[#6](-[#6]C#C)-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
BDBM50473895 Cc1ccc2C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(=O)c4ccccc4C3=O)C(=O)c2c1
BDBM50473896 Cc1ccc2C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(=O)c4ccc(C)cc4C3=O)C(=O)c2c1
BDBM50473897 CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O
BDBM50473898 CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O
BDBM50473899 Cc1ccc2C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN3C(=O)c4ccc(C)cc4C3=O)C(=O)c2c1
BDBM50474485 C[C@@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
BDBM50474486 CCC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:3|
BDBM50474487 CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 |c:5|
BDBM50474488 CC(C1=C(CCN(C)C)Cc2ccc(F)cc12)c1ccccn1 |c:2|
BDBM50474489 CN(C)CCC1=C(c2ccccc2C1)C(C)(C)c1ccccn1 |t:5|
BDBM50474490 CC(C)N(C)CC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:6|
BDBM50474491 CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc12)c1ccccn1 |c:2|
BDBM50474492 CC(C)N(CCC1=C(C(C)c2ccccn2)c2ccccc2C1)C(C)C |c:6|
BDBM50473794 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cccc(Cl)c45)Cc3c12
BDBM50473795 COC(=O)c1c(C)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50473796 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c12
BDBM50473797 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12
BDBM50473900 Cc1ccc2C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN3C(=O)c4ccc(C)cc4C3=O)C(=O)c2c1
BDBM50473901 Cc1ccc2C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(=O)c4ccccc4C3=O)C(=O)c2c1
BDBM50473902 Cc1ccc2C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN3C(=O)c4ccccc4C3=O)C(=O)c2c1
BDBM50474493 CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 |c:5|
BDBM50474494 CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 |c:8|
BDBM50474495 CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 |c:8|
BDBM50474496 CC(C1=C(CCN(C)CCF)Cc2ccccc12)c1ccccn1 |c:2|
BDBM50474497 CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 |c:5|
BDBM50474498 CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:7|
BDBM50474499 CCCC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:4|
BDBM50474500 CC(C1=C(CCN2CCOCC2)Cc2ccccc12)c1ccccn1 |c:2|
BDBM50474501 CC(C1=C(CCN2CCCCC2)Cc2ccccc12)c1ccccn1 |c:2|
BDBM50475673 [I-].[H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C |r|
BDBM50475674 [H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@@]1([H])CCCN1C |r|
BDBM50475687 [I-].[H][C@@]1(C[S@+]([O-])[C@@H](C)O1)[C@]1([H])CCC[N+]1(C)C |r|
BDBM50475689 [Cl-].[Cl-].[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:25|
BDBM50473798 CCOC(=O)c1c(CC)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50473799 COc1ccc(Cn2c(C)c(C(=O)OCC=C)c3c4CN5CCc6cc(OC)ccc6C5Oc4ccc23)cc1
BDBM50473800 COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCc6ccccc6)c5c4CN3CCc2c1
BDBM50473801 CCOC(=O)c1c(C)n(CC)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50473802 COc1ccc2C3Oc4ccc5[nH]c(C)c(-c6nc(C)no6)c5c4CN3CCc2c1
BDBM50473803 CCN(C)C(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50473804 CCCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50474502 COc1ccc2CC(CCN(C)C)=C(C(C)c3ccccn3)c2c1 |t:12|
BDBM50474503 CC(C1=C(CCN(C)C)Cc2ccc(C)cc12)c1ccccn1 |c:2|
BDBM50474504 CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:3|
BDBM50474505 CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccc1 |c:2|
BDBM50474506 CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:2|
BDBM50474507 CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 |c:5|
BDBM50474508 CC(C1=C(CCN(C)C)Cc2cc(C)ccc12)c1ccccn1 |c:2|
BDBM50474509 CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 |c:8|
BDBM50474510 CSc1ccc2CC(CCN(C)C)=C(C(C)c3ccccn3)c2c1 |t:12|
BDBM50475690 [Br-].[Br-].[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(CC=C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(CC=C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:27|
BDBM50473805 CCOC(=O)c1c(C)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50473806 CCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
BDBM50473807 CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(OC)ccc5C4Oc3ccc2n1C
BDBM50473808 CCCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
BDBM50473809 CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(O)ccc45)Cc3c12
BDBM50473810 CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C
BDBM50473811 CCOC(=O)c1c(CC)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50474511 COc1ccc2C(C(C)c3ccccn3)=C(CCN(C)C)Cc2c1 |t:15|
BDBM50474512 CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 |c:8|
BDBM50474513 CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 |c:8|
BDBM50474514 CC(C)N(C)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:7|
BDBM50474515 CC(C1=C(CCN2CCCC2)Cc2ccccc12)c1ccccn1 |c:2|
BDBM50474516 CC(C1=C(CN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
BDBM50474517 CC(C1=C(CCCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
BDBM50474518 [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(cc2C1=O)C(F)(F)F)CCCN1C(=O)c2ccc(cc2C1=O)C(F)(F)F
BDBM50473812 CCCCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
BDBM50473813 COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1
BDBM50473814 COc1ccc2C3Oc4ccc5[nH]c(C)c(Cc6ccccc6)c5c4CN3CCc2c1
BDBM50473815 CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC
BDBM50473816 CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
BDBM50473817 CCCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC
BDBM50499310 CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|
BDBM50499311 CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|
BDBM50497834 [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9|
BDBM50497839 [Br-].[Br-].C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 |t:18|
BDBM50497840 [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)C)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9|
BDBM50497841 [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(32.13,-8.94,;23.31,-4.96,;24.54,-13.76,;24.48,-11.89,;23.12,-12.62,;22.82,-14.11,;23.84,-13.39,;24.45,-15.15,;25.3,-13.32,;26.34,-14.07,;25.95,-12.55,;26.34,-15.59,;27.63,-16.32,;27.63,-17.81,;28.92,-15.57,;28.92,-14.07,;30.24,-13.34,;30.24,-16.32,;31.53,-15.57,;32.83,-16.32,;32.83,-17.81,;31.53,-18.56,;30.24,-17.81,;23.34,-10.74,;22.64,-9.42,;21.8,-10.74,;21.03,-9.4,;19.49,-9.4,;18.72,-8.07,;17.17,-8.07,;16.4,-6.73,;14.85,-6.72,;14.45,-5.23,;15.94,-5.63,;14.09,-8.07,;12.54,-8.07,;11.2,-7.3,;12.54,-6.53,;11.78,-9.41,;10.24,-9.42,;9.32,-8.17,;9.79,-6.7,;7.86,-8.66,;6.53,-7.9,;5.2,-8.68,;5.21,-10.22,;6.55,-10.98,;7.87,-10.2,;9.34,-10.67,;9.82,-12.13,)|
BDBM50497843 [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C |r,TLB:9:7:21:2.3|
BDBM50497842 [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(C1=O)c23 |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(21.93,-8.07,;23.41,-4.94,;22,-13.38,;21.94,-11.51,;20.57,-12.24,;20.27,-13.74,;21.3,-13.01,;21.9,-14.78,;22.76,-12.95,;23.79,-13.7,;23.41,-12.18,;23.79,-15.22,;25.09,-15.95,;25.09,-17.44,;26.38,-15.2,;26.38,-13.7,;27.7,-12.97,;27.7,-15.95,;29,-15.2,;30.29,-15.95,;30.29,-17.44,;29,-18.19,;27.7,-17.44,;20.8,-10.36,;20.1,-9.04,;19.25,-10.36,;18.48,-9.02,;16.94,-9.02,;16.16,-7.68,;14.62,-7.68,;13.85,-6.35,;12.29,-6.34,;11.89,-4.84,;13.39,-5.24,;11.53,-7.68,;9.99,-7.69,;8.64,-6.92,;9.98,-6.14,;9.22,-9.04,;7.68,-9.04,;6.91,-10.39,;7.68,-11.72,;5.36,-10.39,;4.6,-11.72,;3.06,-11.73,;2.28,-10.39,;3.05,-9.07,;2.27,-7.74,;3.04,-6.39,;4.58,-6.39,;5.35,-7.72,;6.89,-7.71,;6.88,-6.16,;4.59,-9.06,)|
BDBM50497844 CN(C)CC#CCOC1=NOCC1 |t:8|
BDBM50497835 CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c1ccccc1
BDBM50497836 [Br-].[Br-].CC(C)(CN1C(=O)c2cccc3cccc(C1=O)c23)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 |t:40|
BDBM50497837 [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9|
BDBM50497838 [Br-].[Br-].[H][C@@]12CC[C@]([H])(C[C@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)CCCCCC[N+](C)(C)C |r,wD:9.9,3.0,6.4,TLB:25:23:9.10.8:4.5,11:9:23:4.5,(37.24,-11.04,;32.43,-8.67,;34.06,-16.83,;33.99,-14.97,;32.61,-15.71,;32.31,-17.23,;33.35,-16.49,;33.95,-18.26,;34.83,-16.43,;35.88,-17.19,;35.49,-15.65,;35.88,-18.74,;37.2,-19.47,;37.2,-20.99,;38.51,-18.71,;38.51,-17.19,;39.85,-16.45,;39.85,-19.47,;41.16,-18.71,;42.48,-19.47,;42.48,-20.99,;41.16,-21.76,;39.85,-20.99,;32.84,-13.8,;32.13,-12.46,;31.27,-13.8,;30.49,-12.44,;28.92,-12.44,;28.13,-11.08,;26.56,-11.08,;25.78,-9.73,;24.21,-9.73,;23.43,-8.37,;23.43,-11.08,;22.63,-9.71,)|
BDBM50523438 FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12
BDBM50525109 CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc12
BDBM50525111 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525117 OC(=O)C(F)(F)F.C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525118 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50525120 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525123 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50525125 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50525128 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525129 OC(=O)C(F)(F)F.CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
BDBM50525131 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525136 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525137 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525140 Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)S(=O)(=O)c2cccc(Cl)c2)CC1
BDBM50525141 CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc23)CC1
BDBM50525142 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50505700 COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
BDBM50505701 COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
BDBM50518559 COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:11:12:15.16:18.19,(19.07,-20.84,;17.73,-21.62,;16.4,-20.85,;15.06,-21.62,;13.73,-20.85,;13.74,-19.31,;12.4,-18.54,;11.07,-19.31,;9.74,-18.54,;8.4,-19.31,;8.4,-20.85,;7.07,-18.54,;5.74,-19.31,;5.39,-20.74,;3.9,-20.23,;3.89,-18.2,;4.49,-16.94,;4.52,-18.86,;2.82,-19.32,;2.41,-20.75,;9.74,-17,;8.4,-16.23,;8.41,-14.68,;9.73,-13.91,;11.07,-14.68,;11.07,-16.23,;15.06,-18.54,;16.39,-19.3,)|
BDBM50518570 Cc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:9:10:13.14:16.17,(39.78,-53.75,;38.42,-54.48,;38.36,-56.02,;37,-56.74,;35.7,-55.91,;34.34,-56.63,;33.03,-55.81,;31.67,-56.54,;31.62,-58.07,;30.37,-55.72,;29.01,-56.44,;28.66,-57.87,;27.17,-57.37,;27.16,-55.34,;27.76,-54.07,;27.79,-55.99,;26.09,-56.45,;25.68,-57.88,;30.42,-54.18,;31.78,-53.46,;31.84,-51.93,;30.53,-51.11,;29.17,-51.84,;29.12,-53.37,;35.75,-54.38,;37.1,-53.66,;37.15,-52.12,)|
BDBM50518578 COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC |TLB:11:12:15.16:18.19,(18.3,-9.26,;16.97,-10.03,;15.64,-9.27,;14.3,-10.04,;12.97,-9.27,;12.98,-7.73,;11.64,-6.96,;10.31,-7.73,;8.98,-6.96,;7.64,-7.73,;7.64,-9.27,;6.31,-6.96,;4.97,-7.73,;4.62,-9.16,;3.14,-8.65,;3.13,-6.62,;3.73,-5.36,;3.76,-7.28,;2.06,-7.74,;1.65,-9.17,;8.98,-5.42,;7.64,-4.65,;7.64,-3.1,;8.97,-2.33,;10.31,-3.1,;10.31,-4.65,;14.3,-6.96,;15.63,-7.72,;16.96,-6.94,;18.3,-7.71,)|
BDBM50518557 Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)|
BDBM50518564 COc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:10:11:14.15:17.18,(75.72,-42.28,;74.41,-41.47,;73.05,-42.19,;72.99,-43.73,;71.63,-44.45,;70.33,-43.63,;68.97,-44.35,;67.66,-43.53,;66.3,-44.25,;66.25,-45.79,;65,-43.43,;63.64,-44.15,;63.29,-45.59,;61.8,-45.08,;61.79,-43.05,;62.39,-41.79,;62.42,-43.7,;60.72,-44.16,;60.31,-45.59,;65.05,-41.89,;66.42,-41.18,;66.47,-39.64,;65.17,-38.82,;63.8,-39.55,;63.75,-41.08,;70.38,-42.1,;71.73,-41.37,;71.79,-39.83,)|
BDBM50518567 O=C(OCc1ccc2OCOc2c1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:13:14:17.18:20.21,(54.21,-33.97,;54.27,-32.43,;55.63,-31.71,;56.93,-32.53,;58.29,-31.81,;58.34,-30.28,;59.7,-29.55,;61.01,-30.37,;62.49,-29.95,;63.35,-31.22,;62.41,-32.43,;60.96,-31.91,;59.6,-32.63,;52.96,-31.61,;51.6,-32.34,;51.25,-33.77,;49.76,-33.26,;49.75,-31.23,;50.35,-29.97,;50.38,-31.89,;48.68,-32.34,;48.28,-33.78,;53.02,-30.07,;54.38,-29.36,;54.44,-27.82,;53.13,-27,;51.76,-27.73,;51.71,-29.27,)|
BDBM50518569 Clc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1Cl |TLB:11:12:15.16:18.19,(58.17,-41.63,;56.81,-42.36,;56.76,-43.9,;55.4,-44.62,;54.09,-43.79,;52.73,-44.51,;51.43,-43.7,;50.07,-44.42,;48.76,-43.6,;47.4,-44.32,;47.35,-45.86,;46.1,-43.5,;44.74,-44.22,;44.39,-45.65,;42.9,-45.15,;42.89,-43.12,;43.49,-41.86,;43.52,-43.77,;41.82,-44.23,;41.42,-45.66,;46.15,-41.96,;47.52,-41.25,;47.57,-39.71,;46.27,-38.89,;44.9,-39.62,;44.85,-41.16,;54.14,-42.26,;55.5,-41.54,;55.55,-40,)|
BDBM50518581 Clc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1Cl |TLB:9:10:13.14:16.17,(17.52,-43.11,;16.16,-43.84,;16.11,-45.38,;14.75,-46.1,;13.44,-45.27,;12.08,-45.99,;10.78,-45.18,;9.41,-45.9,;9.36,-47.44,;8.11,-45.08,;6.75,-45.8,;6.4,-47.23,;4.91,-46.73,;4.9,-44.7,;5.5,-43.43,;5.53,-45.35,;3.83,-45.81,;3.42,-47.24,;8.16,-43.54,;9.53,-42.82,;9.58,-41.28,;8.28,-40.46,;6.91,-41.19,;6.86,-42.73,;13.49,-43.74,;14.85,-43.02,;14.9,-41.48,)|
BDBM50534550 Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2
BDBM50534551 Fc1cc(F)cc(c1)-c1nnc(Cc2nc(no2)-c2ccc3OCOc3c2)o1
BDBM50525124 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50525126 OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525127 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525130 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50525132 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50525133 OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525134 OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525135 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525139 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50525143 CCC(=O)NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50528213 [Br-].C[N+]12CCC(CC1)C(C2)OCC(O)(C1CCCC1)c1ccccc1 |THB:10:8:4.3:7.6,(17.2,-16.09,;14.35,-15.08,;14.35,-13.54,;15.83,-13.95,;16.65,-12.62,;15.17,-12.21,;15.04,-10.97,;14.2,-11.85,;13.69,-12.62,;12.92,-13.95,;12.6,-11.54,;11.11,-11.93,;10.02,-10.85,;11.11,-9.75,;9.26,-9.51,;7.72,-9.35,;7.4,-7.85,;8.74,-7.07,;9.88,-8.1,;8.53,-11.24,;8.14,-12.73,;6.65,-13.13,;5.57,-12.03,;5.95,-10.55,;7.44,-10.15,)|
BDBM50521777 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(nc1)C1CC1
BDBM50522809 [Br-].OC(C(=O)OC1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(59.77,-32.99,;51.72,-34.99,;53.06,-35.76,;54.4,-36.53,;54.4,-38.07,;55.73,-35.75,;57.07,-36.52,;58.4,-35.74,;59.72,-36.52,;61.06,-35.75,;62.39,-36.52,;63.72,-35.76,;65.05,-36.54,;66.39,-35.77,;66.39,-34.23,;65.05,-33.46,;63.72,-34.23,;59.73,-38.06,;58.4,-38.82,;57.07,-38.06,;58.56,-37.86,;58.21,-36.81,;53.06,-34.22,;54.39,-33.45,;54.39,-31.91,;53.05,-31.14,;51.71,-31.93,;51.72,-33.46,;51.73,-36.53,;50.4,-35.76,;49.07,-36.53,;49.07,-38.08,;50.42,-38.84,;51.74,-38.06,)|
BDBM50522811 [Br-].OC(C(=O)O[C@@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:6.4,(16.44,-49.94,;7.04,-51.79,;8.38,-52.56,;9.72,-53.33,;9.72,-54.87,;11.05,-52.56,;12.38,-53.32,;13.71,-52.54,;15.04,-53.32,;16.37,-52.56,;17.7,-53.33,;19.04,-52.56,;20.37,-53.33,;20.36,-54.87,;21.69,-55.65,;23.03,-54.88,;23.03,-53.33,;21.7,-52.56,;15.04,-54.86,;13.71,-55.63,;12.38,-54.86,;13.88,-54.66,;13.53,-53.61,;8.38,-51.02,;9.71,-50.25,;9.7,-48.71,;8.37,-47.95,;7.03,-48.73,;7.04,-50.27,;7.05,-53.34,;5.71,-52.57,;4.38,-53.34,;4.39,-54.88,;5.73,-55.65,;7.06,-54.87,)|
BDBM50522812 [Br-].OC(C(=O)OC1C[N+]2(CCCCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(37.82,-49.13,;27.42,-51.16,;28.76,-51.93,;30.1,-52.7,;30.11,-54.24,;31.43,-51.92,;32.77,-52.69,;34.1,-51.91,;35.42,-52.69,;36.76,-51.92,;38.09,-52.69,;39.42,-51.93,;40.76,-52.7,;42.09,-51.93,;43.42,-52.7,;43.42,-54.25,;44.75,-55.02,;46.08,-54.25,;46.08,-52.7,;44.75,-51.94,;35.43,-54.23,;34.1,-54.99,;32.77,-54.23,;34.26,-54.03,;33.91,-52.98,;28.76,-50.39,;30.09,-49.62,;30.09,-48.08,;28.75,-47.31,;27.42,-48.09,;27.43,-49.63,;27.43,-52.7,;26.1,-51.93,;24.77,-52.7,;24.77,-54.25,;26.12,-55.01,;27.44,-54.23,)|
BDBM50522813 [Br-].OC(C(=O)OC1C[N+]2(CCCc3ccc(Br)cc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(60.03,-19.13,;50.39,-21.97,;51.73,-22.75,;53.06,-23.51,;53.07,-25.05,;54.39,-22.74,;55.73,-23.51,;57.06,-22.73,;58.38,-23.51,;59.72,-22.74,;61.05,-23.51,;62.38,-22.74,;63.72,-23.52,;63.71,-25.05,;65.04,-25.83,;66.38,-25.06,;67.71,-25.83,;66.37,-23.51,;65.04,-22.75,;58.39,-25.05,;57.06,-25.81,;55.73,-25.05,;57.22,-24.84,;56.87,-23.79,;51.72,-21.21,;53.05,-20.44,;53.05,-18.9,;51.71,-18.13,;50.38,-18.91,;50.39,-20.45,;50.39,-23.52,;49.06,-22.75,;47.73,-23.52,;47.73,-25.06,;49.08,-25.83,;50.4,-25.05,)|
BDBM50522814 [Br-].OC(C(=O)OC1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(13.28,-19.41,;3.37,-21.2,;4.71,-21.98,;6.04,-22.74,;6.05,-24.28,;7.38,-21.97,;8.71,-22.74,;10.04,-21.96,;11.36,-22.74,;12.7,-21.97,;14.03,-22.74,;15.37,-21.97,;16.7,-22.75,;18.03,-21.98,;19.36,-22.76,;20.69,-21.99,;20.7,-20.45,;19.36,-19.68,;18.03,-20.45,;11.37,-24.28,;10.04,-25.04,;8.71,-24.28,;10.2,-24.07,;9.85,-23.02,;4.7,-20.44,;6.03,-19.67,;6.03,-18.13,;4.69,-17.36,;3.36,-18.14,;3.37,-19.68,;3.38,-22.75,;2.04,-21.98,;.71,-22.75,;.72,-24.29,;2.06,-25.06,;3.39,-24.28,)|
BDBM50522816 [Br-].OC(C(=O)OC1C[N+]2(CCCOCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(14.86,-34.45,;3.91,-35.36,;5.25,-36.13,;6.59,-36.9,;6.59,-38.44,;7.92,-36.12,;9.26,-36.89,;10.58,-36.11,;11.91,-36.89,;13.24,-36.12,;14.58,-36.9,;15.91,-36.13,;17.24,-36.9,;18.58,-36.13,;19.91,-36.91,;19.9,-38.45,;21.23,-39.22,;22.57,-38.45,;22.57,-36.91,;21.24,-36.14,;11.91,-38.43,;10.58,-39.19,;9.26,-38.43,;10.75,-38.23,;10.4,-37.18,;5.25,-34.59,;6.58,-33.82,;6.58,-32.28,;5.24,-31.52,;3.9,-32.3,;3.91,-33.83,;3.92,-36.91,;2.59,-36.13,;1.26,-36.91,;1.26,-38.45,;2.6,-39.21,;3.93,-38.44,)|
BDBM50522817 [Br-].OC(C(=O)OC1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(82.27,-32.47,;72.86,-34.32,;74.2,-35.09,;75.54,-35.86,;75.54,-37.4,;76.87,-35.08,;78.21,-35.85,;79.54,-35.07,;80.86,-35.85,;82.19,-35.08,;83.53,-35.85,;84.86,-35.09,;86.19,-35.86,;86.19,-37.4,;87.52,-38.17,;88.85,-37.4,;88.85,-35.86,;87.52,-35.09,;80.87,-37.39,;79.54,-38.15,;78.21,-37.39,;79.7,-37.19,;79.35,-36.14,;74.2,-33.55,;75.53,-32.78,;75.53,-31.24,;74.19,-30.47,;72.85,-31.26,;72.86,-32.79,;72.87,-35.86,;71.54,-35.09,;70.21,-35.86,;70.21,-37.41,;71.56,-38.17,;72.88,-37.39,)|
BDBM50522818 [Br-].OC(C(=O)OC1C[N+]2(CCCc3cccc(F)c3)CCC1CC2)(c1ccccc1)c1ccccc1 |(60.41,-49.31,;51.01,-51.16,;52.35,-51.94,;53.68,-52.7,;53.69,-54.24,;55.02,-51.93,;56.35,-52.7,;57.68,-51.92,;59,-52.7,;60.34,-51.93,;61.67,-52.7,;63.01,-51.93,;64.34,-52.71,;65.67,-51.94,;67,-52.7,;67,-54.25,;65.66,-55.02,;65.66,-56.56,;64.33,-54.25,;59.01,-54.24,;57.68,-55,;56.35,-54.24,;57.84,-54.03,;57.49,-52.98,;52.34,-50.4,;53.67,-49.63,;53.67,-48.09,;52.33,-47.32,;51,-48.1,;51.01,-49.64,;51.02,-52.71,;49.68,-51.94,;48.35,-52.71,;48.36,-54.25,;49.7,-55.02,;51.03,-54.24,)|
BDBM50523439 FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12
BDBM50523440 Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|
BDBM50522821 [Br-].OC(C(=O)OC1C[N+]2(CCCc3ccc(F)cc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(13.36,-19.18,;4.01,-20.28,;5.35,-21.05,;6.68,-21.82,;6.69,-23.36,;8.01,-21.04,;9.35,-21.81,;10.68,-21.03,;12,-21.81,;13.34,-21.04,;14.67,-21.82,;16,-21.05,;17.34,-21.82,;17.33,-23.36,;18.66,-24.13,;20,-23.36,;21.33,-24.14,;20,-21.82,;18.66,-21.05,;12.01,-23.35,;10.68,-24.11,;9.35,-23.35,;10.84,-23.15,;10.49,-22.1,;5.34,-19.51,;6.67,-18.74,;6.67,-17.2,;5.33,-16.43,;4,-17.22,;4.01,-18.75,;4.01,-21.83,;2.68,-21.05,;1.35,-21.83,;1.35,-23.37,;2.7,-24.13,;4.02,-23.36,)|
BDBM50522824 [Br-].OC(C(=O)OC1C[N+]2(CCCc3ccc(OC(F)(F)F)cc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(60.52,-35.48,;50.59,-37.33,;51.93,-38.1,;53.27,-38.87,;53.27,-40.41,;54.6,-38.09,;55.93,-38.86,;57.26,-38.08,;58.59,-38.86,;59.92,-38.09,;61.25,-38.86,;62.59,-38.1,;63.92,-38.87,;63.91,-40.41,;65.24,-41.18,;66.58,-40.41,;67.91,-41.19,;67.91,-42.73,;69.25,-43.5,;66.58,-43.49,;67.9,-44.27,;66.58,-38.87,;65.25,-38.1,;58.59,-40.4,;57.26,-41.16,;55.93,-40.4,;57.43,-40.2,;57.08,-39.15,;51.92,-36.56,;53.26,-35.79,;53.25,-34.25,;51.92,-33.48,;50.58,-34.27,;50.59,-35.8,;50.6,-38.88,;49.26,-38.1,;47.93,-38.88,;47.94,-40.42,;49.28,-41.18,;50.61,-40.41,)|
BDBM50522825 [Br-].OC(C(=O)OC1C[N+]2(CCCCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(79.77,-18.94,;70.23,-20.5,;71.57,-21.28,;72.91,-22.04,;72.91,-23.58,;74.24,-21.27,;75.57,-22.04,;76.9,-21.26,;78.22,-22.04,;79.56,-21.27,;80.89,-22.04,;82.23,-21.27,;83.56,-22.05,;84.9,-21.28,;86.23,-22.05,;86.22,-23.59,;87.55,-24.37,;88.89,-23.6,;88.89,-22.05,;87.55,-21.28,;78.23,-23.58,;76.9,-24.34,;75.57,-23.58,;77.07,-23.37,;76.72,-22.32,;71.56,-19.74,;72.9,-18.97,;72.89,-17.43,;71.56,-16.66,;70.22,-17.44,;70.23,-18.98,;70.24,-22.05,;68.9,-21.28,;67.57,-22.05,;67.58,-23.59,;68.92,-24.36,;70.25,-23.58,)|
BDBM50522826 [Br-].OC(C(=O)OC1C[N+]2(Cc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(38.02,-34.24,;28.64,-35.89,;29.98,-36.66,;31.32,-37.43,;31.32,-38.97,;32.65,-36.65,;33.99,-37.42,;35.32,-36.64,;36.64,-37.42,;37.98,-36.65,;39.31,-37.42,;39.3,-38.96,;40.63,-39.74,;41.97,-38.97,;41.97,-37.42,;40.64,-36.65,;36.65,-38.96,;35.32,-39.72,;33.99,-38.96,;35.48,-38.76,;35.13,-37.71,;29.98,-35.12,;31.31,-34.35,;31.3,-32.81,;29.97,-32.04,;28.63,-32.82,;28.64,-34.36,;28.65,-37.43,;27.31,-36.66,;25.98,-37.44,;25.98,-38.98,;27.33,-39.74,;28.66,-38.97,)|
BDBM50522828 [Br-].OC(C(=O)OC1C[N+]2(CCCc3cccc(Br)c3)CCC1CC2)(c1ccccc1)c1ccccc1 |(15.57,-3.9,;5.46,-5.76,;6.8,-6.53,;8.14,-7.3,;8.14,-8.84,;9.47,-6.52,;10.8,-7.29,;12.13,-6.51,;13.46,-7.29,;14.79,-6.52,;16.12,-7.29,;17.46,-6.53,;18.79,-7.3,;20.12,-6.53,;21.45,-7.3,;21.45,-8.84,;20.12,-9.61,;20.11,-11.15,;18.78,-8.84,;13.46,-8.83,;12.13,-9.59,;10.8,-8.83,;12.3,-8.63,;11.95,-7.58,;6.8,-4.99,;8.13,-4.22,;8.12,-2.68,;6.79,-1.91,;5.45,-2.7,;5.46,-4.23,;5.47,-7.3,;4.13,-6.53,;2.8,-7.3,;2.81,-8.85,;4.15,-9.61,;5.48,-8.84,)|
BDBM50522829 [Br-].OC(C(=O)OC1C[N+]2(CCSc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(58.41,-19.71,;49.43,-20.93,;50.77,-21.71,;52.1,-22.47,;52.11,-24.01,;53.44,-21.7,;54.77,-22.46,;56.1,-21.69,;57.43,-22.46,;58.76,-21.7,;60.1,-22.47,;61.43,-21.7,;62.76,-22.48,;62.76,-24.02,;64.09,-24.79,;65.43,-24.02,;65.42,-22.47,;64.09,-21.71,;57.43,-24.01,;56.1,-24.77,;54.77,-24.01,;56.27,-23.8,;55.92,-22.75,;50.76,-20.17,;52.1,-19.39,;52.09,-17.86,;50.75,-17.09,;49.42,-17.87,;49.43,-19.41,;49.44,-22.48,;48.1,-21.71,;46.77,-22.48,;46.77,-24.02,;48.12,-24.79,;49.45,-24.01,)|
BDBM50525110 CN1CCC(=CC1)c1nsnc1OCCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |c:4|
BDBM50525112 OC(=O)C(F)(F)F.CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50502361 [H][C@@]12CN(C[C@]1([H])[C@@H]2c1nccn1-c1ccccc1)C1CC2(C1)CCN(C2)C(=O)OCC |r,wU:7.9,wD:5.6,1.0,(35.13,-24.49,;36.66,-24.63,;36.14,-26.08,;37.36,-27.02,;38.63,-26.15,;38.19,-24.66,;39.73,-24.57,;37.46,-23.32,;37.49,-21.78,;38.75,-20.91,;38.31,-19.43,;36.77,-19.4,;36.26,-20.85,;34.79,-21.3,;33.66,-20.24,;32.19,-20.68,;31.84,-22.18,;32.97,-23.24,;34.44,-22.79,;37.32,-28.56,;36.19,-29.61,;37.24,-30.73,;38.37,-29.67,;38.37,-31.77,;37.74,-33.18,;36.21,-33.01,;35.9,-31.5,;35.17,-34.14,;35.64,-35.61,;33.67,-33.81,;32.63,-34.96,;31.13,-34.63,)|
BDBM50502367 COc1cccnc1C1CCN(CC2CCN(CC2)c2cnccn2)CC1
BDBM50502369 [H][C@@]12CN(C[C@]1([H])[C@@H]2c1nccn1-c1ccccc1)C1CC2(C1)CCN(C2)c1cnccn1 |r,wU:7.9,wD:5.6,1.0,(54.59,-22.58,;56.12,-22.72,;55.6,-24.17,;56.83,-25.11,;58.1,-24.24,;57.66,-22.75,;59.2,-22.66,;56.92,-21.41,;56.96,-19.87,;58.21,-18.99,;57.77,-17.52,;56.23,-17.48,;55.72,-18.94,;54.25,-19.39,;53.13,-18.33,;51.65,-18.77,;51.3,-20.27,;52.44,-21.33,;53.91,-20.88,;56.78,-26.66,;55.65,-27.7,;56.7,-28.83,;57.83,-27.76,;57.84,-29.87,;57.21,-31.27,;55.67,-31.1,;55.36,-29.59,;54.65,-32.24,;55.11,-33.69,;54.09,-34.83,;52.58,-34.5,;52.11,-33.04,;53.15,-31.91,)|
BDBM50522830 [Br-].OC(C(=O)OC1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |(12.18,-50.24,;3.1,-51.96,;4.44,-52.74,;5.77,-53.5,;5.78,-55.04,;7.1,-52.73,;8.44,-53.5,;9.77,-52.72,;11.09,-53.5,;12.43,-52.73,;13.76,-53.5,;15.09,-52.73,;16.43,-53.51,;17.76,-52.74,;19.09,-53.52,;20.42,-52.75,;20.42,-51.21,;19.08,-50.44,;17.75,-51.21,;11.1,-55.04,;9.77,-55.8,;8.44,-55.04,;9.93,-54.83,;9.58,-53.78,;4.43,-51.2,;5.76,-50.43,;5.76,-48.89,;4.42,-48.12,;3.09,-48.9,;3.1,-50.44,;3.1,-53.51,;1.77,-52.74,;.44,-53.51,;.44,-55.05,;1.79,-55.82,;3.11,-55.04,)|
BDBM50522832 [Br-].OC(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |r,wU:6.4,(82.97,-35.31,;73.57,-37.16,;74.91,-37.93,;76.24,-38.7,;76.25,-40.24,;77.57,-37.92,;78.91,-38.69,;80.24,-37.91,;81.56,-38.69,;82.9,-37.92,;84.23,-38.69,;85.56,-37.93,;86.9,-38.7,;86.89,-40.24,;88.22,-41.01,;89.56,-40.24,;89.56,-38.7,;88.22,-37.93,;81.57,-40.23,;80.24,-40.99,;78.91,-40.23,;80.4,-40.03,;80.05,-38.98,;74.9,-36.39,;76.23,-35.62,;76.23,-34.08,;74.89,-33.31,;73.56,-34.1,;73.57,-35.63,;73.57,-38.7,;72.24,-37.93,;70.91,-38.7,;70.91,-40.25,;72.26,-41.01,;73.58,-40.24,)|
BDBM50525113 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525114 CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
BDBM50525115 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50525122 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50502353 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cnccn1
BDBM50502360 COc1cccnc1C1CCN(CC1)C1CC2(C1)CCN(C2)c1cnccn1 |(9.28,-22.81,;7.74,-22.82,;6.97,-24.15,;5.43,-24.16,;4.66,-25.49,;5.43,-26.81,;6.97,-26.81,;7.74,-25.49,;9.28,-25.48,;10.05,-26.81,;11.58,-26.82,;12.36,-25.49,;11.59,-24.15,;10.05,-24.14,;13.9,-25.49,;14.99,-26.58,;16.09,-25.51,;14.99,-24.41,;16.78,-24.13,;18.3,-24.37,;18.54,-25.9,;17.17,-26.59,;19.92,-26.59,;19.99,-28.13,;21.36,-28.83,;22.65,-27.99,;22.57,-26.44,;21.2,-25.75,)|
BDBM50518582 O=C(OCc1ccccc1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:10:11:14.15:17.18,(26.99,-23.41,;27.05,-21.87,;28.41,-21.15,;29.72,-21.97,;31.08,-21.25,;32.38,-22.07,;33.74,-21.35,;33.8,-19.81,;32.48,-18.99,;31.13,-19.72,;25.74,-21.05,;24.38,-21.78,;24.03,-23.21,;22.55,-22.7,;22.54,-20.67,;23.14,-19.41,;23.17,-21.32,;21.46,-21.78,;21.06,-23.22,;25.8,-19.51,;27.16,-18.8,;27.22,-17.26,;25.91,-16.44,;24.55,-17.17,;24.5,-18.71,)|
BDBM50503049 [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
BDBM50525138 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50525116 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525119 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50516235 FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
BDBM50525121 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50525144 Nc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)S(=O)(=O)c2cccc(Cl)c2)CC1
BDBM50521758 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1ccc(F)c(F)c1
BDBM50521759 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50521783 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(Cl)cn1
BDBM50503043 CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|
BDBM50503044 CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|
BDBM50503047 CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|
BDBM50503048 [H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|
BDBM50539742 Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
BDBM50538200 [O-]C=O.C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
BDBM50538201 [O-]C=O.C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2cccc(Cl)c2)CC1
BDBM50540457 [I-].C[N+](C)(C)C[C@@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50540481 [I-].C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(cc1)[S+]([O-])c1ccccc1 |r|
BDBM50540482 [I-].C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(cc1)S(=O)(=O)c1ccccc1 |r|
BDBM50540483 [I-].C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(cc1)S(=O)(=O)c1ccccc1 |r|
BDBM50538324 CCC(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
BDBM50538310 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:25|
BDBM50538311 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccccc12 |c:27|
BDBM50538312 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O |c:21|
BDBM50538323 [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)[C@H](CO)c1ccccc1 |r|
BDBM50538313 OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:15|
BDBM50538314 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O |c:27|
BDBM50538315 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
BDBM50538306 OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)c2ccccc12 |c:15|
BDBM50538316 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)C(=O)NCCN2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccc(cc12)S([O-])(=O)=O |c:33|
BDBM50540459 [I-].C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(cc1)-c1ccccc1 |r|
BDBM50540460 [I-].C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(cc1)-c1ccccc1 |r|
BDBM50540461 [I-].C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(Sc2ccccc2)cc1 |r|
BDBM50540462 [I-].C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(Sc2ccccc2)cc1 |r|
BDBM50540463 [I-].C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(cc1)[S+]([O-])c1ccccc1 |r|
BDBM50540464 [I-].C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(cc1)[S+]([O-])c1ccccc1 |r|
BDBM50538307 OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:13|
BDBM50538308 OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)c(C)c2)cc1
BDBM50538309 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1
BDBM50538317 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
BDBM50538318 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
BDBM50538319 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
BDBM50538320 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccccc12 |c:21|
BDBM50538321 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
BDBM50540458 [I-].C[N+](C)(C)CC1COCC(O1)(C1CCCCC1)c1ccccc1
BDBM50540480 [I-].C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(cc1)[S+]([O-])c1ccccc1 |r|
BDBM50540485 [I-].C[N+](C)(C)C[C@@H]1CO[C@@H]([C@H](O1)c1ccccc1)c1ccccc1 |r|
BDBM50540486 [I-].C[N+](C)(C)C[C@@H]1CO[C@H]([C@H](O1)c1ccccc1)c1ccccc1 |r|
BDBM50540487 [I-].C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50538190 Fc1cc(cc(F)c1F)-c1ccccc1NC(=O)OCC1CCNCC1
BDBM50538191 Clc1ccc(cc1)-c1ccccc1NC(=O)OCC1CCNCC1
BDBM50538192 O=C(Nc1ccccc1-c1ccccc1)OCC1CCNCC1
BDBM50538193 O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:16.17,(15.76,-8.02,;15.77,-9.56,;14.44,-10.33,;14.44,-11.87,;15.78,-12.63,;15.78,-14.18,;14.44,-14.96,;13.11,-14.18,;13.11,-12.64,;11.78,-11.87,;11.78,-10.33,;10.45,-9.56,;9.12,-10.33,;9.12,-11.88,;10.46,-12.64,;17.1,-10.32,;18.44,-9.55,;18.42,-8.01,;19.76,-7.24,;21.1,-8.01,;21.1,-9.55,;19.77,-10.32,;19.1,-8.91,;20.52,-8.56,)|
BDBM50538322 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccccc12 |c:33|
BDBM50538194 [O-]C(=O)C(F)(F)F.[H][C@]12CC[N@+](C)(CC1)C[C@@H]2OC(=O)Nc1ccc(F)cc1-c1ccccc1 |r,wU:16.17,11.10,8.6,(18.05,-12.72,;16.72,-11.95,;16.72,-10.41,;15.39,-12.72,;14.05,-11.95,;15.39,-14.26,;14.05,-13.48,;16.2,-10.02,;16.2,-8.48,;17.56,-7.82,;17.56,-6.28,;16.22,-5.51,;16.22,-3.97,;15.81,-6.99,;16.72,-7.28,;14.88,-6.28,;14.89,-7.81,;13.56,-8.59,;12.22,-7.82,;12.22,-6.28,;10.89,-8.59,;10.89,-10.13,;12.23,-10.9,;12.23,-12.45,;10.9,-13.22,;10.9,-14.76,;9.56,-12.45,;9.56,-10.91,;8.23,-10.14,;8.24,-8.59,;6.9,-7.82,;5.57,-8.59,;5.57,-10.14,;6.91,-10.91,)|
BDBM50538195 [O-]C(=O)C(F)(F)F.[H][C@]12CC[N@+](C)(CC1)C[C@@H]2NC(=O)Nc1ccc(F)cc1-c1ccccc1 |r,wU:16.17,wD:11.10,8.6,(40.44,-54.05,;39.12,-53.3,;39.12,-51.78,;37.81,-54.05,;36.5,-53.3,;37.81,-55.57,;36.49,-54.81,;35.53,-52.89,;35.53,-51.35,;36.01,-50.16,;35.01,-49.76,;35.52,-48.27,;35.51,-46.76,;36.86,-49.04,;36.86,-50.58,;34.19,-49.04,;34.19,-50.57,;32.86,-51.35,;31.52,-50.58,;31.52,-49.04,;30.19,-51.35,;30.19,-52.89,;31.53,-53.66,;31.54,-55.21,;30.2,-55.98,;30.19,-57.49,;28.86,-55.21,;28.87,-53.67,;27.53,-52.9,;27.53,-51.35,;26.2,-50.58,;24.87,-51.35,;24.87,-52.9,;26.21,-53.67,)|
BDBM50538196 Fc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)c(c1)-c1ccccc1 |r,wU:9.8,(14.44,-16.14,;14.44,-14.6,;15.78,-13.83,;15.77,-12.28,;14.44,-11.52,;14.43,-9.98,;15.77,-9.2,;15.76,-7.66,;17.1,-9.97,;18.43,-9.2,;18.42,-7.66,;19.76,-6.89,;21.1,-7.66,;21.09,-9.2,;19.77,-9.97,;19.1,-8.56,;20.52,-8.21,;13.11,-12.29,;13.11,-13.83,;11.78,-11.52,;11.78,-9.98,;10.45,-9.21,;9.12,-9.98,;9.12,-11.53,;10.45,-12.29,)|
BDBM50538197 [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])N1C)OC(=O)Nc1ccc(F)cc1-c1ccccc1 |r,TLB:14:8:12:3.1,2:3:12:8.7.9,2:1:12:8.7.9|
BDBM50538198 [H][C@]12CC[C@]([H])(C[C@H](C1)OC(=O)Nc1ccc(F)cc1-c1ccccc1)N2C |r,TLB:9:7:26:3.2|
BDBM50540465 [I-].C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(cc1)S(=O)(=O)c1ccccc1 |r|
BDBM50540466 [I-].C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(cc1)S(=O)(=O)c1ccccc1 |r|
BDBM50540467 [I-].C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccccc1 |r|
BDBM50540468 [I-].C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
BDBM50540469 [I-].C[N+](C)(C)C[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1 |r|
BDBM50540470 [I-].C[N+](C)(C)C[C@@H]1CO[C@](CO1)(C1CCCCC1)c1ccccc1 |r|
BDBM50540471 [I-].C[N+](C)(C)C[C@@H]1CO[C@@](CO1)(C1CCCCC1)c1ccccc1 |r|
BDBM50540472 [I-].C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)C(c1ccccc1)c1ccccc1 |r|
BDBM50538199 Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccccc1 |r,wU:9.8,(9.06,-42.48,;9.06,-40.97,;10.41,-40.2,;10.4,-38.65,;9.06,-37.88,;9.06,-36.34,;10.39,-35.57,;10.39,-34.03,;11.72,-36.33,;13.06,-35.56,;13.06,-34.03,;14.39,-33.25,;15.73,-34.02,;15.73,-35.57,;14.4,-36.33,;14.87,-35.15,;13.88,-34.75,;7.74,-38.65,;7.73,-40.2,;6.4,-37.88,;6.4,-36.34,;5.07,-35.57,;3.74,-36.34,;3.74,-37.89,;5.08,-38.65,)|
BDBM50538205 Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
BDBM50538206 Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1
BDBM50538207 Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(F)c(Cl)c1 |r,wU:9.8,(12.23,-40.25,;12.23,-38.74,;13.58,-37.97,;13.57,-36.42,;12.23,-35.65,;12.23,-34.11,;13.56,-33.34,;13.56,-31.8,;14.89,-34.11,;16.23,-33.33,;16.23,-31.8,;17.56,-31.03,;18.9,-31.8,;18.9,-33.34,;17.57,-34.11,;18.04,-32.92,;17.05,-32.52,;10.91,-36.42,;10.9,-37.97,;9.57,-35.66,;8.25,-36.42,;6.91,-35.66,;6.91,-34.11,;5.6,-33.36,;8.25,-33.34,;8.25,-31.83,;9.57,-34.11,)|
BDBM50538208 Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1cccc(Cl)c1 |r,wU:9.8,(59.08,-25.57,;59.08,-24.06,;60.42,-23.29,;60.41,-21.74,;59.07,-20.98,;59.07,-19.44,;60.41,-18.66,;60.4,-17.12,;61.74,-19.43,;63.07,-18.66,;63.07,-17.12,;64.4,-16.35,;65.74,-17.12,;65.74,-18.66,;64.41,-19.43,;64.89,-18.24,;63.9,-17.85,;57.75,-21.75,;57.75,-23.29,;56.42,-20.98,;55.09,-21.75,;53.75,-20.99,;53.75,-19.44,;55.09,-18.67,;55.09,-17.16,;56.42,-19.44,)|
BDBM50538209 Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(Cl)c(Cl)c1 |r,wU:9.8,(34.72,-25.63,;34.72,-24.12,;36.06,-23.35,;36.06,-21.8,;34.72,-21.03,;34.71,-19.49,;36.05,-18.72,;36.05,-17.18,;37.38,-19.48,;38.72,-18.71,;38.71,-17.18,;40.05,-16.4,;41.39,-17.17,;41.39,-18.72,;40.05,-19.48,;40.53,-18.3,;39.54,-17.9,;33.39,-21.8,;33.39,-23.35,;32.06,-21.03,;30.74,-21.8,;29.4,-21.04,;29.39,-19.49,;28.09,-18.74,;30.73,-18.72,;30.74,-17.21,;32.06,-19.49,)|
BDBM50540473 [I-].C[N+](C)(C)C[C@@H]1CO[C@H](CO1)C(c1ccccc1)c1ccccc1 |r|
BDBM50540474 [I-].C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(cc1)-c1ccccc1 |r|
BDBM50540475 [I-].C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(cc1)-c1ccccc1 |r|
BDBM50540476 [I-].C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(Cc2ccccc2)cc1 |r|
BDBM50540477 [I-].C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(Cc2ccccc2)cc1 |r|
BDBM50540478 [I-].C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(Sc2ccccc2)cc1 |r|
BDBM50540479 [I-].C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(Sc2ccccc2)cc1 |r|
BDBM50540484 [I-].C[N+](C)(C)C[C@@H]1CO[C@H]([C@@H](O1)c1ccccc1)c1ccccc1 |r|
BDBM50538210 Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cc(F)c(F)c(F)c1
BDBM50538211 Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(Cl)c(Cl)c1
BDBM50538212 COc1ccc(cc1)-c1cc(F)ccc1NC(=O)OCC1CCNCC1
BDBM50538213 Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(cc1)C#N
BDBM50538214 Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(Br)cc1
BDBM50538215 Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(Cl)cc1
BDBM50538216 Fc1ccc(cc1)-c1cc(F)ccc1NC(=O)OCC1CCNCC1
BDBM50538217 Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccccc1Cl
BDBM50538218 Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccccc1
BDBM50538219 [O-]C(=O)C(F)(F)F.[H][C@]12CC[N@+](C)(CC1)C[C@@H]2OC(=O)Nc1ccccc1-c1ccccc1 |r,wU:16.17,11.10,8.6,(17.64,-38.46,;16.33,-37.7,;16.33,-36.19,;15.01,-38.46,;13.71,-37.7,;15.01,-39.98,;13.7,-39.21,;13.73,-34.96,;13.73,-33.42,;15.07,-32.65,;15.07,-31.11,;13.73,-30.34,;13.72,-28.83,;13.22,-31.83,;14.21,-32.23,;12.39,-31.11,;12.4,-32.64,;11.06,-33.42,;9.73,-32.65,;9.73,-31.11,;8.39,-33.43,;8.4,-34.97,;9.74,-35.73,;9.74,-37.28,;8.4,-38.05,;7.07,-37.28,;7.07,-35.74,;5.74,-34.97,;5.74,-33.42,;4.41,-32.65,;3.07,-33.43,;3.08,-34.97,;4.42,-35.74,)|
BDBM50540488 [I-].C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(O1)(c1ccccc1)c1ccccc1 |r|
BDBM50540489 [Cl-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1)[N+]21CCCC1 |r,TLB:10:8:27:3.4|
BDBM50540490 [I-].C[N+](C)(C)C[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50540491 CN(C)CC1COCC(O1)(C1CCCCC1)c1ccccc1
BDBM50540492 CN(C)C[C@@H]1COC[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50540493 CN(C)C[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50540494 C[N+](C)(C)C[C@@H]1COC[C@@](O1)(C1CCCCC1)c1ccccc1 |r|
BDBM50538204 Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cc(Cl)cc(Cl)c1
BDBM503242 C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F
BDBM502689 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
BDBM502693 C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
BDBM502697 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)nc1
BDBM502765 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(N)n1
BDBM502819 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
BDBM502698 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F
BDBM502699 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cc1F)C(F)(F)F
BDBM502701 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)cc(c1)C#N
BDBM502702 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502704 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cn1
BDBM502705 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C(F)(F)F
BDBM502728 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(OC(F)(F)F)c1
BDBM502729 C[C@@H]1CN(CCN1c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502731 C[C@@H]1CN(CCN1c1ccc(OC(F)(F)F)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502733 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(C)n1
BDBM502734 C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
BDBM502735 C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
BDBM502736 C[C@@H]1CN(CCN1c1ccc(OC(F)(F)F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502763 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(Cl)c1
BDBM502764 C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(F)c1
BDBM502817 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)cn1
BDBM502871 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccs2)CC1)c1cc(F)c(F)c(F)c1
BDBM502707 C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502708 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1CO)c1cc(F)c(F)c(F)c1
BDBM502709 C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
BDBM502710 OCC1CN(Cc2ccccc2)CCC1CCNC(=O)N1CCN(CC1)c1cc(F)c(F)c(F)c1
BDBM502712 C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
BDBM502713 C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502768 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(OC(F)(F)F)c(F)c1
BDBM502822 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)cn1
BDBM502823 CNc1nc(ncc1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502831 FC(F)(F)c1cnc(nc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502834 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F
BDBM502835 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F
BDBM502872 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502923 C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502990 FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502994 C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)cc(c1)C#N
BDBM502995 Fc1cc(ccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(OC(F)(F)F)cc1
BDBM503051 OCC1CN(Cc2ccccc2)CCC1CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
BDBM503052 FC(F)(F)c1cnc(N2CCC(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(Cl)c1
BDBM503053 OCC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)c(F)c2)CCN(Cc2ccccc2)CC1
BDBM503086 Fc1cc(F)cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503087 FC(F)(F)Oc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
BDBM503121 FC(F)(F)Oc1ccc(cc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503122 O[C@H](CNC(=O)C1CCN(CC1)c1ccc(F)c(c1)C#N)C1CCN(Cc2ccccc2)CC1
BDBM502714 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C#N
BDBM502715 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
BDBM502718 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(F)(F)F
BDBM502719 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2OC(F)(F)Oc2c1
BDBM502773 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(c1)C#N
BDBM502776 C[C@H]1CN(CCN1c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502781 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)cc(F)c1
BDBM502782 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1F)C(F)(F)F
BDBM502836 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F
BDBM502837 Nc1nc(ncc1C(F)(F)F)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502838 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Br)cn1
BDBM502839 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)c(N)n1
BDBM502844 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cc(F)c(F)c(F)c1
BDBM502884 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2C)CC1)c1ncc(cn1)C(F)(F)F
BDBM502885 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(F)c2)CC1)c1ncc(cn1)C(F)(F)F
BDBM502886 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ncc(cn1)C(F)(F)F
BDBM502889 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(c2)C#N)CC1)c1ncc(cn1)C(F)(F)F
BDBM502933 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C(F)F
BDBM502934 C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N
BDBM502937 C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
BDBM502938 C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
BDBM502999 C[C@@H]1CN(CCN1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)c(c1)C#N
BDBM503062 Fc1ccc(cc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503192 Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1
BDBM503193 Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1
BDBM503196 Cc1c(cnc2cc(nn12)-c1ccc(F)cc1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503250 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(Cl)c1
BDBM503251 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(Cl)c(F)c1
BDBM503252 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(C#N)c(F)c1
BDBM503253 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(cc1F)C#N
BDBM503255 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(C#N)c(F)c1
BDBM502787 FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502788 FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502790 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F
BDBM502791 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C#N
BDBM502792 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(N)n1
BDBM502848 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc3CCOc23)CC1)c1cc(F)c(F)c(F)c1
BDBM502849 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502891 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1)c1ncc(cn1)C#N
BDBM502896 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2cccc(F)c2)CC1)c1ncc(cn1)C#N
BDBM502941 FC(F)(F)c1ccc(cc1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503069 FC1(F)Oc2ccc(cc2O1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503071 Fc1cc(cc(F)c1F)N1CCC(CC1)C(=O)NCCC1CCN(CC1)c1ccccc1
BDBM503199 Cc1c(cnc2cc(nn12)-c1ccc(F)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503200 Cc1c(cnc2cc(nn12)-c1cc(F)cc(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503225 C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F
BDBM503226 C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)cn1
BDBM503256 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(Cl)c(F)c1
BDBM503257 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(F)c1
BDBM503258 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1
BDBM503260 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(OC(F)(F)F)c1
BDBM502989 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1C2CCC1CN(C2)c1ncc(cn1)C#N |THB:26:24:18:20.21|
BDBM503073 FC(F)(F)c1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503074 COc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503075 Fc1ccc(cc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503076 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1F
BDBM503077 FC(F)(F)Oc1cc(ccc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503078 Fc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
BDBM503107 Fc1cc(cc(F)c1F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503143 C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C#N
BDBM503144 C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C(F)(F)F
BDBM503145 C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cc1F)C(F)(F)F
BDBM503233 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC[Si](C)(C)C)CC1)c1ncc(cn1)C#N
BDBM503263 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C(F)(F)F
BDBM503264 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C(F)(F)F
BDBM503265 COc1ccc(cc1C#N)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503266 FC(F)(F)c1cnc(cn1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503118 COc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
BDBM503120 Cc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503188 Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503190 Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1
BDBM503211 Cc1c(cnc2cc(nn12)-c1cccc(OC(F)(F)F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503212 Cc1c(cnc2cc(nn12)-c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503240 C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F
BDBM503271 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)nc(F)c1
BDBM503272 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(c1)C(F)(F)F
BDBM503273 COc1cc(cc(F)c1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503245 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C#N
BDBM503246 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1F)C#N
BDBM503247 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1
BDBM503248 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)cc1F
BDBM503277 C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F
BDBM503278 C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
BDBM503280 C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C(F)(F)F
BDBM503282 C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F
BDBM502796 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(Cl)cc(n1)C#N
BDBM502897 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1ncc(cn1)C#N
BDBM502898 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ncc(cn1)C#N
BDBM502900 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cnc(nc1)C(F)(F)F
BDBM502722 C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1
BDBM502723 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(Cl)cc(n1)C#N
BDBM502724 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(ccn1)C(F)(F)F
BDBM502725 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C)c(F)c1
BDBM502726 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nccc(n1)C#N
BDBM502727 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1
BDBM502799 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nccc(n1)C(F)(F)F
BDBM503082 CC1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(OC(F)(F)F)c1
BDBM503083 FC(F)(F)Oc1cccc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503084 OC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)c(c2)C#N)CCN(Cc2ccccc2)CC1
BDBM503085 Fc1ccc(cc1F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502996 FC(F)(F)Oc1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503072 Fc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502997 OC(CNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1
BDBM502998 OC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)c(F)c2)CCN(Cc2ccccc2)CC1
BDBM503070 CC1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1
BDBM502774 COc1nc(ncc1C#N)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM50549892 C[C@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r|
BDBM50549893 C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r|
BDBM50548757 Fc1cccc(CNC(=O)CCN2CCCc3ccccc23)c1
BDBM50548758 Cn1ccc(NC(=O)CCN2CCCc3ccccc23)n1
BDBM50548759 O=C(CCN1CCCc2ccccc12)NCc1cccs1
BDBM50548760 O=C(CCN1CCCc2ccccc12)NCc1ccco1
BDBM50548761 O=C(CCN1CCCc2ccccc12)Nc1cccc2cccnc12
BDBM50548762 Cn1ccc2c(NC(=O)CCN3CCCc4ccccc34)cccc12
BDBM50548763 O=C(CCN1CCCc2ccccc12)Nc1cccnn1
BDBM50548764 O=C(CCN1CCCc2ccccc12)Nc1cccc2ccccc12
BDBM50548765 Clc1ccc(NC(=O)CCN2CCCc3ccccc23)cc1
BDBM50546048 Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3cc(ncc3Cl)C(F)(F)F)c(N)c12
BDBM50548766 O=C(CCN1CCCc2ccccc12)Nc1nccs1
BDBM50548767 O=C(CCN1CCCc2ccccc12)NC1CCCC1
BDBM50548768 O=C(CCN1CCCc2ccccc12)NC1CCCCC1
BDBM50548769 O=C(CCN1CCCc2ccccc12)Nc1ccccc1
BDBM50548770 O=C(CCN1CCCc2ccccc12)N1CCCC1
BDBM50548771 CC1CCN(CC1)C(=O)CCN1CCCc2ccccc12
BDBM50548772 CC1CCCN(C1)C(=O)CCN1CCCc2ccccc12
BDBM50548773 COC1CN(C1)C(=O)CCN1CCCc2ccccc12
BDBM50548774 O=C(CCN1CCCc2ccccc12)N1CCC1
BDBM50548775 OC[C@@H]1CCCN1C(=O)CCN1CCCc2ccccc12 |r|
BDBM50548776 OCC1CCCN1C(=O)CCN1CCCc2ccccc12
BDBM50548777 OC1CCN(C1)C(=O)CCN1CCCc2ccccc12
BDBM50548778 OC(=O)C1CCCN1C(=O)CCN1CCCc2ccccc12
BDBM50548779 Oc1ccc(NC(=O)CCN2CCCc3ccccc23)c(F)c1
BDBM50548780 OCC1CCCN(C1)C(=O)CCN1CCCc2ccccc12
BDBM50548781 OCC1CCCCN1C(=O)CCN1CCCc2ccccc12
BDBM50548782 OC1CCN(CC1)C(=O)CCN1CCCc2ccccc12
BDBM50548783 OC1CCCN(C1)C(=O)CCN1CCCc2ccccc12
BDBM50548784 CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc12
BDBM50547398 CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |c:4,t:8|
BDBM50548785 C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc12 |r|
BDBM50548786 CC1CCCCN1C(=O)CCN1CCCc2ccccc12
BDBM50548787 O=C(CN1CCCc2cnccc12)N1CCCC1
BDBM50548788 Fc1ccc2CCN(CC(=O)N3CCCC3)c2c1
BDBM50548789 O=C(CN1CCCc2ccccc12)N1CCCC1
BDBM50548790 CC1CCc2ccccc2N1CC(=O)N1CCCC1
BDBM50548791 CC1Cc2ccccc2N1CC(=O)N1CCCC1
BDBM50548792 Cc1ccc2N(CC(=O)N3CCCCC3)CCCc2c1
BDBM50548793 O=C(CN1CCCc2cnccc12)N1CCCCC1
BDBM50548794 CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc12
BDBM50548795 O=C(CN1CCCc2ccccc12)N1CCCCC1
BDBM50548796 CC1CCc2ccccc2N1CC(=O)N1CCCCC1
BDBM50548797 Oc1ccc2CCCN(CC(=O)N3CCCCC3)c2c1
BDBM50548798 CC1Cc2ccccc2N1CC(=O)N1CCCCC1
BDBM50548799 Brc1ccc2CCN(CC(=O)N3CCCCC3)c2c1
BDBM50548800 CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc23)CC1
BDBM50548801 CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc12
BDBM50546049 Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3cc(Cl)ncc3Cl)c(N)c12
BDBM50546050 Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3ncncc3C#N)c(N)c12
BDBM50546051 COc1cc(N2CC(C2)NC(=O)c2sc3nnc(Cl)c(C)c3c2N)c(Cl)cn1
BDBM50546052 Cc1cc(ncc1N1CC(C1)NC(=O)c1sc2nnc(Cl)c(C)c2c1N)C1CC1
BDBM50546053 Cc1nc(Cl)c(C)c(n1)N1CC(C1)NC(=O)c1sc2nnc(Cl)c(C)c2c1N
BDBM50546054 Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3ccnc(F)c3Cl)c(N)c12
BDBM50546055 Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3cnc(Cl)cn3)c(N)c12
BDBM50546056 Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3ccc(nn3)C3CC3)c(N)c12
BDBM50546057 CC(C)Cc1nnc(o1)N1CC(C1)NC(=O)c1sc2nnc(Cl)c(C)c2c1N
BDBM50546058 Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c12
BDBM50546059 Cc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
BDBM50546060 Cc1c(O)nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c12
BDBM50546061 Cc1c(CO)nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c12
BDBM50546062 Cc1c(CF)nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c12
BDBM50546063 Cc1c(nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c12)C(F)F
BDBM50546064 CN(C)Cc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
BDBM50546065 COc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
BDBM50548708 CN(C)CC\C=C\c1cccnc1
BDBM50548714 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C1CCCCCCC[n+]2cccc(CCCCCCCCCCCCCC[n+]3cccc(CCCCCC1)c3)c2
BDBM50548715 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C1CCCCCCC[n+]2cccc(CCCCCCCCCCCCC[n+]3cccc(CCCCCC1)c3)c2
BDBM50548716 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C1CCCCCCC[n+]2cccc(CCCCCCCCCCCC[n+]3cccc(CCCCCC1)c3)c2
BDBM50548717 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C1CCCCCCc2ccc[n+](CCCCCCCCCCCCCc3ccc[n+](CCCCCC1)c3)c2
BDBM50548718 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C1CCCCCCc2ccc[n+](CCCCCCCCCCCCc3ccc[n+](CCCCCC1)c3)c2
BDBM50548719 [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C1CCCCCC[n+]2cccc(CCCCCCCCCCCC[n+]3cccc(CCCCC1)c3)c2
BDBM50546047 Cc1c(Cl)nnc2sc(C(=O)NC3CN(C3)c3cccnc3)c(N)c12
BDBM50546066 COCCOc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
BDBM50546067 CCc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
BDBM50546068 CC(C)c1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C
BDBM50549891 O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20|
BDBM50557935 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c3ccc(cc3oc2c1)=[N+](C)C |(23.6,-21.33,;22.26,-20.56,;22.26,-19.02,;20.92,-21.33,;19.58,-20.56,;20.92,-22.88,;19.58,-22.1,;29.3,-11.33,;27.96,-10.56,;27.96,-9.01,;26.63,-11.33,;25.29,-10.56,;26.63,-12.87,;25.28,-12.09,;30.23,-17.55,;28.9,-16.78,;28.9,-15.24,;27.56,-17.55,;26.22,-16.78,;27.56,-19.1,;26.21,-18.32,;23.52,-4.8,;21.98,-4.8,;21.2,-3.47,;21.2,-6.14,;19.66,-6.14,;18.9,-7.48,;19.66,-8.8,;18.88,-10.13,;17.34,-10.11,;16.58,-8.76,;15.03,-8.75,;14.26,-10.09,;15.02,-11.44,;16.56,-11.44,;17.33,-12.78,;16.55,-14.1,;18.65,-13.54,;12.71,-10.08,;11.93,-11.41,;11.94,-8.74,;12.73,-7.4,;11.96,-6.06,;10.42,-6.05,;9.65,-4.72,;8.12,-4.71,;7.34,-6.03,;5.8,-6.02,;5.03,-7.35,;5.78,-8.68,;5.01,-10.01,;5.76,-11.35,;4.99,-12.67,;5.74,-14,;7.28,-14.02,;8.03,-15.36,;9.57,-15.38,;10.35,-14.05,;10.32,-16.72,;9.45,-17.98,;7.96,-17.63,;6.91,-18.74,;7.35,-20.21,;8.84,-20.56,;9.88,-19.45,;11.31,-20.02,;12.65,-19.27,;13.91,-20.15,;12.89,-17.75,;14.39,-17.42,;14.85,-15.94,;13.8,-14.81,;12.3,-15.15,;11.84,-16.62,;8.06,-12.69,;7.3,-11.35,;8.1,-7.37,;9.64,-7.38,;19.64,-11.47,;18.86,-12.8,;19.62,-14.13,;21.17,-14.14,;21.95,-12.82,;21.19,-11.48,;21.98,-10.15,;21.2,-8.81,;21.98,-7.47,;21.94,-15.48,;21.16,-16.82,;23.49,-15.49,)|
BDBM50557936 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.Cc1cc(\C=C\c2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
BDBM50557937 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c(C)c2)cc1
BDBM50557938 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.Cc1cc(\C=C\c2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
BDBM50552915 C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
BDBM50557939 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(\C=C\c3ccc(OCC(=O)NCCCCCC(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc67)CC5)cn4)cc3)=[N+]12 |c:29,t:27,99|
BDBM50557940 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c3ccc(cc3oc2c1)=[N+](C)C |(55.74,-15.63,;54.4,-14.86,;54.4,-13.32,;53.06,-15.63,;51.72,-14.86,;53.06,-17.18,;51.71,-16.4,;49.39,-15,;48.05,-14.23,;48.05,-12.68,;46.71,-15,;45.36,-14.23,;46.71,-16.54,;45.36,-15.77,;69.03,-5.05,;67.69,-4.29,;67.69,-2.75,;66.36,-5.06,;65.03,-4.3,;63.7,-5.07,;63.69,-6.61,;62.36,-7.38,;61.03,-6.61,;61.04,-5.07,;59.71,-4.29,;58.37,-5.06,;58.37,-6.61,;59.7,-7.37,;59.7,-8.91,;58.37,-9.68,;60.09,-10.4,;57.04,-4.29,;57.04,-2.75,;55.7,-5.06,;54.37,-4.29,;53.03,-5.05,;51.7,-4.28,;50.37,-5.05,;50.36,-6.59,;49.03,-4.28,;47.7,-5.05,;47.7,-6.59,;46.45,-7.49,;46.93,-8.95,;46.14,-10.28,;44.61,-10.27,;43.82,-11.6,;42.28,-11.58,;41.5,-12.91,;39.97,-12.89,;39.19,-14.21,;39.94,-15.56,;39.15,-16.88,;37.61,-16.86,;36.86,-15.52,;36.83,-18.19,;37.67,-19.46,;39.17,-19.12,;40.22,-20.26,;39.75,-21.74,;38.25,-22.07,;37.21,-20.93,;35.69,-21.52,;34.45,-20.7,;33.17,-21.55,;34.23,-19.17,;32.74,-18.82,;32.3,-17.35,;33.35,-16.22,;34.85,-16.58,;35.29,-18.05,;41.48,-15.57,;42.27,-14.25,;48.47,-8.96,;48.95,-7.49,;62.36,-8.92,;61.02,-9.68,;61.01,-11.22,;62.36,-12,;63.69,-11.23,;63.69,-9.69,;65.03,-8.93,;65.03,-7.39,;66.37,-6.61,;62.36,-13.54,;61.02,-14.31,;63.69,-14.31,)|
BDBM50557941 CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1
BDBM50559171 CN(C)CC1CCOC1(c1ccccc1)c1ccccc1
BDBM50577268 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1F |r|
BDBM50568867 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50568868 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568869 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568870 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568871 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568875 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
BDBM50568876 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50568877 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568878 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568879 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
BDBM50568880 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@@H](CCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
BDBM50568881 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
BDBM50568882 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568883 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
BDBM50568884 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC(=N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
BDBM50568833 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
BDBM50568834 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
BDBM50568885 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(O)=O |r|
BDBM50568886 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
BDBM50568887 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50577269 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccc(F)c1 |r|
BDBM50568888 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568889 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)CNCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568890 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
BDBM50568891 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568892 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568893 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
BDBM50568830 C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50568836 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
BDBM50568837 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
BDBM50568894 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568895 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC1)C(=O)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568896 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
BDBM50568838 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
BDBM50568839 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568840 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50568841 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568897 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50568898 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568899 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
BDBM50568266 Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1
BDBM50568842 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568843 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568844 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50568845 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50568900 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568901 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H]1CC(=O)NCCC[C@H](N1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50568902 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H]1CC(=O)NCCC[C@H](N1)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50568846 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50568847 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50568848 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50568849 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50568850 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50568851 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50568852 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50569118 Fc1ccc2Nc3ccc(Cl)cc3N=C(C3=CCNCC3)c2c1 |t:14,16|
BDBM50568853 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568859 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(N)=N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50568860 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50569119 Cc1ccc2Nc3ccc(F)cc3C(=Nc2c1)C1=CCNCC1 |c:14,t:20|
BDBM50568861 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC(=N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(O)=O |r|
BDBM50568862 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
BDBM50568863 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50568864 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568865 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
BDBM50568866 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
BDBM50568740 CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
BDBM50568831 CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|
BDBM50568832 C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
BDBM50568835 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
BDBM50568857 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O |r|
BDBM50568858 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O |r|
BDBM50568872 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568873 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568874 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568856 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN |r|
BDBM50568903 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
BDBM50568904 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
BDBM50568905 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCN[C@@H](CCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O |r|
BDBM50568250 Cn1cc2cc(ccc2n1)-c1ccc(CN2Cc3ncsc3C2=O)c(F)c1
BDBM50568854 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50568855 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O |r|
BDBM50577263 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
BDBM50577264 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r|
BDBM50577265 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1 |r|
BDBM50577270 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(F)cc1 |r|
BDBM50577266 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccnc1 |r|
BDBM50577267 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(NC(C)=O)cc1 |r|
BDBM50577271 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1F |r|
BDBM50569110 CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:4,t:8|
BDBM50569111 CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |c:4,t:8|
BDBM50585790 NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc12 |r|
BDBM50579806 CCS(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F |r,c:12|
BDBM50585807 CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCOCC1 |r|
BDBM50585808 C(CCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CNC1COC1 |r|
BDBM50585788 NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|
BDBM50585805 CN(CCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)C1CCC(F)(F)CC1 |r|
BDBM50581203 COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:34.35,(20.54,-23.22,;21.88,-23.99,;23.21,-23.22,;24.54,-23.99,;25.88,-23.22,;25.87,-21.67,;24.54,-20.9,;23.21,-21.68,;21.88,-20.91,;21.88,-19.37,;27.21,-20.89,;28.54,-21.66,;29.87,-20.88,;31.21,-21.65,;31.21,-23.19,;32.54,-20.88,;32.53,-19.34,;33.86,-18.56,;31.19,-18.57,;29.86,-19.35,;28.52,-18.59,;27.2,-19.35,;25.86,-18.59,;24.53,-19.36,;25.85,-17.05,;24.61,-16.14,;25.08,-14.68,;26.65,-14.7,;27.52,-13.42,;26.84,-12.04,;27.7,-10.76,;29.24,-10.88,;29.91,-12.26,;30.1,-9.59,;31.63,-9.71,;32.31,-11.1,;33.83,-11.22,;32.55,-10.34,;33.76,-9.31,;32.5,-8.44,;34.04,-8.56,;34.7,-9.95,;27.02,-9.38,;27.9,-8.11,;27.22,-6.72,;25.69,-6.61,;24.82,-7.9,;25.5,-9.27,;27.1,-16.14,)|
BDBM50585806 C(CCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCOCC1 |r|
BDBM50585810 C(CC1CCNCC1)CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|
BDBM50585811 C(CCN1CCOCC1)CN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc12 |r|
BDBM50581209 [H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r|
BDBM50581210 [H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |r,TLB:9:7:21:3.2,22:21:7.6.8:3.2,THB:23:21:7.6.8:3.2|
BDBM50593227 Cc1c(cc(C(F)F)c2cn(nc12)C(C(=O)Nc1nccs1)c1ncn2c1CCC21CC1)C#Cc1ccc(CN2CCC(CO)CC2)cc1
BDBM50596238 Cn1cc2cc(ccc2n1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
BDBM50596231 Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
BDBM50596232 C(Nc1ccc(nn1)-c1ccccc1)[C@@H]1CC11CCN(CC2CCOCC2)CC1 |r|
BDBM50596236 Fc1ccc(F)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
BDBM50596237 Fc1cc(F)c(F)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
BDBM50596239 CC(=O)Nc1ccc(cc1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
BDBM50601574 Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r|
BDBM50601551 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
BDBM50601567 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
BDBM50606809 CNC(=O)Oc1cccc2C3CCN(CCC4CCCCC4)C3CCc12
BDBM50605094 C[C@H](N(C)C(=O)c1cc(COc2cccc(c2)C(C)=O)on1)c1ccccn1
BDBM50605085 Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|
BDBM616928 Cc1c(F)cccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
BDBM616890 COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|
BDBM616894 COc1cc(ccc1F)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|
BDBM624956 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)C1CC[C@@H](CC1)OC(=O)[C@](O)(c1cccs1)c1ccc(Cl)s1 |r,wU:37.45,43.49,wD:14.14,43.50,(3.77,3.25,;4.17,4.74,;3.08,5.83,;1.59,5.43,;.5,6.52,;-.98,6.12,;-1.61,4.72,;-3.14,4.88,;-3.46,6.38,;-4.8,7.15,;-4.8,8.69,;-6.13,9.46,;-7.46,8.69,;-8.8,9.46,;-10.13,8.69,;-10.13,7.15,;-11.46,9.46,;-12.8,8.69,;-14.13,9.46,;-14.13,11,;-15.46,11.77,;-12.8,11.77,;-12.8,13.31,;-11.46,14.08,;-11.46,15.62,;-10.13,13.31,;-10.13,11.77,;-11.46,11,;-3.46,9.46,;-3.14,10.97,;-1.61,11.13,;-.98,9.72,;-2.13,8.69,;-2.13,7.15,;5.66,5.14,;6.75,4.05,;8.23,4.45,;8.63,5.94,;7.54,7.03,;6.06,6.63,;10.12,6.34,;10.52,7.82,;9.43,8.91,;12.01,8.22,;13.49,8.62,;12.4,9.71,;11.44,10.91,;12.27,12.2,;13.76,11.8,;13.84,10.26,;13.09,7.13,;14.56,7.61,;15.46,6.36,;14.56,5.12,;15.04,3.65,;13.09,5.59,)|
BDBM624957 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)C1CC[C@@H](CC1)OC(=O)[C@@](O)(c1cccs1)c1ccc(Cl)s1 |r,wU:37.45,43.50,wD:14.14,43.49,(3.77,3.25,;4.17,4.74,;3.08,5.83,;1.59,5.43,;.5,6.52,;-.98,6.12,;-1.61,4.72,;-3.14,4.88,;-3.46,6.38,;-4.8,7.15,;-4.8,8.69,;-6.13,9.46,;-7.46,8.69,;-8.8,9.46,;-10.13,8.69,;-10.13,7.15,;-11.46,9.46,;-12.8,8.69,;-14.13,9.46,;-14.13,11,;-15.46,11.77,;-12.8,11.77,;-12.8,13.31,;-11.46,14.08,;-11.46,15.62,;-10.13,13.31,;-10.13,11.77,;-11.46,11,;-3.46,9.46,;-3.14,10.97,;-1.61,11.13,;-.98,9.72,;-2.13,8.69,;-2.13,7.15,;5.66,5.14,;6.75,4.05,;8.23,4.45,;8.63,5.94,;7.54,7.03,;6.06,6.63,;10.12,6.34,;10.52,7.82,;9.43,8.91,;12.01,8.22,;13.49,8.62,;12.4,9.71,;11.44,10.91,;12.27,12.2,;13.76,11.8,;13.84,10.26,;13.09,7.13,;14.56,7.61,;15.46,6.36,;14.56,5.12,;15.04,3.65,;13.09,5.59,)|
BDBM624959 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)[C@H]1CC[C@H](CC(=O)C(O)(c2ccc(C)s2)c2ccc(C)s2)CC1 |r,wU:34.38,wD:14.14,37.42,(4.51,-4.78,;4.51,-3.24,;3.17,-2.47,;1.84,-3.24,;.5,-2.47,;-.83,-3.24,;-1.07,-4.76,;-2.59,-5,;-3.29,-3.63,;-4.78,-3.23,;-5.18,-1.74,;-6.66,-1.34,;-7.75,-2.43,;-9.24,-2.03,;-10.33,-3.12,;-9.93,-4.61,;-11.82,-2.72,;-12.91,-3.81,;-14.39,-3.41,;-14.79,-1.93,;-16.28,-1.53,;-13.7,-.84,;-14.1,.65,;-13.01,1.74,;-13.41,3.23,;-11.52,1.34,;-11.13,-.15,;-12.22,-1.24,;-4.09,-.65,;-4.17,.89,;-2.73,1.44,;-1.76,.24,;-2.6,-1.05,;-2.2,-2.54,;5.84,-2.47,;5.84,-.93,;7.17,-.16,;8.51,-.93,;9.84,-.16,;11.17,-.93,;11.17,-2.47,;12.51,-.16,;13.84,.61,;13.84,-.93,;15.25,-.3,;16.28,-1.44,;15.51,-2.78,;16.14,-4.19,;14,-2.46,;12.51,1.38,;11.26,2.29,;11.74,3.75,;13.28,3.75,;14.18,5,;13.75,2.29,;8.51,-2.47,;7.17,-3.24,)|
BDBM624960 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3OCOc3c12)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wD:14.14,37.45,(3.77,-6.18,;4.17,-4.7,;3.08,-3.61,;1.59,-4.01,;.5,-2.92,;-.98,-3.32,;-1.61,-4.72,;-3.14,-4.56,;-3.46,-3.06,;-4.8,-2.29,;-4.8,-.75,;-6.13,.02,;-7.46,-.75,;-8.8,.02,;-10.13,-.75,;-10.13,-2.29,;-11.46,.02,;-12.8,-.75,;-14.13,.02,;-14.13,1.56,;-15.46,2.33,;-12.8,2.33,;-12.8,3.87,;-11.46,4.64,;-11.46,6.18,;-10.13,3.87,;-10.13,2.33,;-11.46,1.56,;-3.46,.02,;-3.14,1.53,;-1.61,1.69,;-.98,.28,;-2.13,-.75,;-2.13,-2.29,;5.66,-4.3,;6.06,-2.81,;7.54,-2.41,;8.63,-3.5,;8.23,-4.99,;6.75,-5.39,;10.12,-3.1,;10.52,-1.62,;9.43,-.53,;12.01,-1.22,;13.49,-.82,;12.4,.27,;11.44,1.47,;12.27,2.76,;13.76,2.36,;13.84,.82,;13.09,-2.31,;14.56,-1.83,;15.46,-3.08,;14.56,-4.32,;13.09,-3.85,)|
BDBM624961 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3OCOc3c12)C1CC[C@@H](CC1)OC(=O)[C@](O)(c1cccs1)c1ccc(C)s1 |r,wU:43.49,wD:14.14,37.45,43.50,(3.77,1.47,;4.17,2.96,;3.08,4.04,;1.59,3.65,;.5,4.73,;-.98,4.34,;-1.61,2.93,;-3.14,3.09,;-3.46,4.6,;-4.8,5.37,;-4.8,6.91,;-6.13,7.68,;-7.46,6.91,;-8.8,7.68,;-10.13,6.91,;-10.13,5.37,;-11.46,7.68,;-12.8,6.91,;-14.13,7.68,;-14.13,9.22,;-15.46,9.99,;-12.8,9.99,;-12.8,11.53,;-11.46,12.3,;-11.46,13.84,;-10.13,11.53,;-10.13,9.99,;-11.46,9.22,;-3.46,7.68,;-3.14,9.18,;-1.61,9.34,;-.98,7.94,;-2.13,6.91,;-2.13,5.37,;5.66,3.35,;6.06,4.84,;7.54,5.24,;8.63,4.15,;8.23,2.66,;6.75,2.26,;10.12,4.55,;10.52,6.04,;9.43,7.13,;12.01,6.44,;13.49,6.83,;12.4,7.92,;11.44,9.12,;12.27,10.41,;13.76,10.01,;13.84,8.47,;13.09,5.35,;14.56,5.82,;15.46,4.58,;14.56,3.33,;15.04,1.87,;13.09,3.81,)|
BDBM624962 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3OCOc3c12)C1CC[C@@H](CC1)OC(=O)[C@@](O)(c1cccs1)c1ccc(C)s1 |r,wU:43.50,wD:14.14,37.45,43.49,(3.77,1.47,;4.17,2.96,;3.08,4.04,;1.59,3.65,;.5,4.73,;-.98,4.34,;-1.61,2.93,;-3.14,3.09,;-3.46,4.6,;-4.8,5.37,;-4.8,6.91,;-6.13,7.68,;-7.46,6.91,;-8.8,7.68,;-10.13,6.91,;-10.13,5.37,;-11.46,7.68,;-12.8,6.91,;-14.13,7.68,;-14.13,9.22,;-15.46,9.99,;-12.8,9.99,;-12.8,11.53,;-11.46,12.3,;-11.46,13.84,;-10.13,11.53,;-10.13,9.99,;-11.46,9.22,;-3.46,7.68,;-3.14,9.18,;-1.61,9.34,;-.98,7.94,;-2.13,6.91,;-2.13,5.37,;5.66,3.35,;6.06,4.84,;7.54,5.24,;8.63,4.15,;8.23,2.66,;6.75,2.26,;10.12,4.55,;10.52,6.04,;9.43,7.13,;12.01,6.44,;13.49,6.83,;12.4,7.92,;11.44,9.12,;12.27,10.41,;13.76,10.01,;13.84,8.47,;13.09,5.35,;14.56,5.82,;15.46,4.58,;14.56,3.33,;15.04,1.87,;13.09,3.81,)|
BDBM624963 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3COCc3c12)C1CC[C@@H](CC1)OC(=O)[C@](O)(c1cccs1)c1ccc(C)s1 |r,wU:43.49,wD:14.14,37.45,43.50,(3.77,.8,;4.17,2.29,;3.08,3.38,;1.59,2.98,;.5,4.07,;-.98,3.67,;-1.61,2.26,;-3.14,2.42,;-3.46,3.93,;-4.8,4.7,;-4.8,6.24,;-6.13,7.01,;-7.46,6.24,;-8.8,7.01,;-10.13,6.24,;-10.13,4.7,;-11.46,7.01,;-12.8,6.24,;-14.13,7.01,;-14.13,8.55,;-15.46,9.32,;-12.8,9.32,;-12.8,10.86,;-11.46,11.63,;-11.46,13.17,;-10.13,10.86,;-10.13,9.32,;-11.46,8.55,;-3.46,7.01,;-3.14,8.51,;-1.61,8.68,;-.98,7.27,;-2.13,6.24,;-2.13,4.7,;5.66,2.69,;6.06,4.17,;7.54,4.57,;8.63,3.48,;8.23,2,;6.75,1.6,;10.12,3.88,;10.52,5.37,;9.43,6.46,;12.01,5.77,;13.49,6.17,;12.4,7.26,;11.44,8.45,;12.27,9.74,;13.76,9.35,;13.84,7.81,;13.09,4.68,;14.56,5.15,;15.46,3.91,;14.56,2.66,;15.04,1.2,;13.09,3.14,)|
BDBM624964 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3COCc3c12)C1CC[C@@H](CC1)OC(=O)[C@@](O)(c1cccs1)c1ccc(C)s1 |r,wU:43.50,wD:14.14,37.45,43.49,(3.77,.8,;4.17,2.29,;3.08,3.38,;1.59,2.98,;.5,4.07,;-.98,3.67,;-1.61,2.26,;-3.14,2.42,;-3.46,3.93,;-4.8,4.7,;-4.8,6.24,;-6.13,7.01,;-7.46,6.24,;-8.8,7.01,;-10.13,6.24,;-10.13,4.7,;-11.46,7.01,;-12.8,6.24,;-14.13,7.01,;-14.13,8.55,;-15.46,9.32,;-12.8,9.32,;-12.8,10.86,;-11.46,11.63,;-11.46,13.17,;-10.13,10.86,;-10.13,9.32,;-11.46,8.55,;-3.46,7.01,;-3.14,8.51,;-1.61,8.68,;-.98,7.27,;-2.13,6.24,;-2.13,4.7,;5.66,2.69,;6.06,4.17,;7.54,4.57,;8.63,3.48,;8.23,2,;6.75,1.6,;10.12,3.88,;10.52,5.37,;9.43,6.46,;12.01,5.77,;13.49,6.17,;12.4,7.26,;11.44,8.45,;12.27,9.74,;13.76,9.35,;13.84,7.81,;13.09,4.68,;14.56,5.15,;15.46,3.91,;14.56,2.66,;15.04,1.2,;13.09,3.14,)|
BDBM624965 CN(CCCn1cnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)C1CC[C@@H](CC1)OC(=O)[C@](O)(c1cccs1)c1ccc(C)s1 |r,wU:43.49,wD:14.14,37.45,43.50,(3.77,1.68,;4.17,3.17,;3.08,4.26,;1.59,3.86,;.5,4.95,;-.98,4.55,;-1.61,3.15,;-3.14,3.31,;-3.46,4.81,;-4.8,5.58,;-4.8,7.12,;-6.13,7.89,;-7.46,7.12,;-8.8,7.89,;-10.13,7.12,;-10.13,5.58,;-11.46,7.89,;-12.8,7.12,;-14.13,7.89,;-14.13,9.43,;-15.46,10.2,;-12.8,10.2,;-12.8,11.74,;-11.46,12.51,;-11.46,14.05,;-10.13,11.74,;-10.13,10.2,;-11.46,9.43,;-3.46,7.89,;-3.14,9.4,;-1.61,9.56,;-.98,8.15,;-2.13,7.12,;-2.13,5.58,;5.66,3.57,;6.06,5.06,;7.54,5.46,;8.63,4.37,;8.23,2.88,;6.75,2.48,;10.12,4.77,;10.52,6.25,;9.43,7.34,;12.01,6.65,;13.49,7.05,;12.4,8.14,;11.44,9.34,;12.27,10.63,;13.76,10.23,;13.84,8.69,;13.09,5.56,;14.56,6.04,;15.46,4.79,;14.56,3.55,;15.04,2.08,;13.09,4.02,)|
BDBM624966 CN(CCCn1cnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)C1CC[C@@H](CC1)OC(=O)[C@@](O)(c1cccs1)c1ccc(C)s1 |r,wU:43.50,wD:14.14,37.45,43.49,(3.77,1.68,;4.17,3.17,;3.08,4.26,;1.59,3.86,;.5,4.95,;-.98,4.55,;-1.61,3.15,;-3.14,3.31,;-3.46,4.81,;-4.8,5.58,;-4.8,7.12,;-6.13,7.89,;-7.46,7.12,;-8.8,7.89,;-10.13,7.12,;-10.13,5.58,;-11.46,7.89,;-12.8,7.12,;-14.13,7.89,;-14.13,9.43,;-15.46,10.2,;-12.8,10.2,;-12.8,11.74,;-11.46,12.51,;-11.46,14.05,;-10.13,11.74,;-10.13,10.2,;-11.46,9.43,;-3.46,7.89,;-3.14,9.4,;-1.61,9.56,;-.98,8.15,;-2.13,7.12,;-2.13,5.58,;5.66,3.57,;6.06,5.06,;7.54,5.46,;8.63,4.37,;8.23,2.88,;6.75,2.48,;10.12,4.77,;10.52,6.25,;9.43,7.34,;12.01,6.65,;13.49,7.05,;12.4,8.14,;11.44,9.34,;12.27,10.63,;13.76,10.23,;13.84,8.69,;13.09,5.56,;14.56,6.04,;15.46,4.79,;14.56,3.55,;15.04,2.08,;13.09,4.02,)|
BDBM624967 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3COCc3c12)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wD:14.14,37.45,(3.77,-6.18,;4.17,-4.7,;3.08,-3.61,;1.59,-4.01,;.5,-2.92,;-.98,-3.32,;-1.61,-4.72,;-3.14,-4.56,;-3.46,-3.06,;-4.8,-2.29,;-4.8,-.75,;-6.13,.02,;-7.46,-.75,;-8.8,.02,;-10.13,-.75,;-10.13,-2.29,;-11.46,.02,;-12.8,-.75,;-14.13,.02,;-14.13,1.56,;-15.46,2.33,;-12.8,2.33,;-12.8,3.87,;-11.46,4.64,;-11.46,6.18,;-10.13,3.87,;-10.13,2.33,;-11.46,1.56,;-3.46,.02,;-3.14,1.53,;-1.61,1.69,;-.98,.28,;-2.13,-.75,;-2.13,-2.29,;5.66,-4.3,;6.06,-2.81,;7.54,-2.41,;8.63,-3.5,;8.23,-4.99,;6.75,-5.39,;10.12,-3.1,;10.52,-1.62,;9.43,-.53,;12.01,-1.22,;13.49,-.82,;12.4,.27,;11.44,1.47,;12.27,2.76,;13.76,2.36,;13.84,.82,;13.09,-2.31,;14.56,-1.83,;15.46,-3.08,;14.56,-4.32,;13.09,-3.85,)|
BDBM624969 CN(CCCn1cnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wD:14.14,37.45,(3.77,-6.18,;4.17,-4.7,;3.08,-3.61,;1.59,-4.01,;.5,-2.92,;-.98,-3.32,;-1.61,-4.72,;-3.14,-4.56,;-3.46,-3.06,;-4.8,-2.29,;-4.8,-.75,;-6.13,.02,;-7.46,-.75,;-8.8,.02,;-10.13,-.75,;-10.13,-2.29,;-11.46,.02,;-12.8,-.75,;-14.13,.02,;-14.13,1.56,;-15.46,2.33,;-12.8,2.33,;-12.8,3.87,;-11.46,4.64,;-11.46,6.18,;-10.13,3.87,;-10.13,2.33,;-11.46,1.56,;-3.46,.02,;-3.14,1.53,;-1.61,1.69,;-.98,.28,;-2.13,-.75,;-2.13,-2.29,;5.66,-4.3,;6.06,-2.81,;7.54,-2.41,;8.63,-3.5,;8.23,-4.99,;6.75,-5.39,;10.12,-3.1,;10.52,-1.62,;9.43,-.53,;12.01,-1.22,;13.49,-.82,;12.4,.27,;11.44,1.47,;12.27,2.76,;13.76,2.36,;13.84,.82,;13.09,-2.31,;14.56,-1.83,;15.46,-3.08,;14.56,-4.32,;13.09,-3.85,)|
BDBM624948 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)[C@H]1CC[C@@H](CC1)OC(=O)[C@](O)(c1cccs1)c1ccc(Br)s1 |r,wU:34.38,43.49,wD:14.14,37.45,43.56,(4.5,4.18,;4.5,5.72,;3.16,6.49,;1.83,5.72,;.5,6.49,;-.84,5.72,;-1.16,4.21,;-2.69,4.05,;-3.32,5.46,;-4.78,5.93,;-5.1,7.44,;-6.59,7.84,;-7.68,6.75,;-9.16,7.15,;-10.25,6.06,;-9.85,4.57,;-11.74,6.46,;-12.83,5.37,;-14.32,5.77,;-14.72,7.26,;-16.2,7.65,;-13.63,8.34,;-14.03,9.83,;-12.94,10.92,;-13.33,12.41,;-11.45,10.52,;-11.05,9.03,;-12.14,7.95,;-3.96,8.47,;-3.96,10.01,;-2.49,10.49,;-1.59,9.24,;-2.49,7.99,;-2.17,6.49,;5.83,6.49,;5.83,8.03,;7.16,8.8,;8.5,8.03,;8.5,6.49,;7.16,5.72,;9.83,8.8,;11.17,8.03,;11.17,6.49,;12.5,8.8,;13.83,9.57,;12.5,10.34,;11.25,11.24,;11.73,12.71,;13.27,12.71,;13.75,11.24,;13.83,8.03,;15.3,8.5,;16.2,7.26,;15.3,6.01,;15.7,4.53,;13.83,6.49,)|
BDBM624859 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:34.38,wD:37.45,14.14,(4.5,-4.2,;4.5,-2.66,;3.16,-1.89,;1.83,-2.66,;.5,-1.89,;-.84,-2.66,;-1.16,-4.17,;-2.69,-4.33,;-3.32,-2.92,;-4.78,-2.45,;-5.1,-.94,;-6.59,-.54,;-7.68,-1.63,;-9.16,-1.23,;-10.25,-2.32,;-9.85,-3.81,;-11.74,-1.92,;-12.83,-3.01,;-14.32,-2.61,;-14.72,-1.12,;-16.2,-.73,;-13.63,-.04,;-14.03,1.45,;-12.94,2.54,;-13.33,4.03,;-11.45,2.14,;-11.05,.65,;-12.14,-.43,;-3.96,.09,;-3.96,1.63,;-2.49,2.11,;-1.59,.86,;-2.49,-.38,;-2.17,-1.89,;5.83,-1.89,;5.83,-.35,;7.16,.42,;8.5,-.35,;8.5,-1.89,;7.16,-2.66,;9.83,.42,;11.17,-.35,;11.17,-1.89,;12.5,.42,;13.83,1.19,;13.83,-.35,;13.83,-1.89,;15.3,-2.37,;16.2,-1.12,;15.3,.12,;12.5,1.96,;13.75,2.86,;13.27,4.33,;11.73,4.33,;11.25,2.86,)|
BDBM624946 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)[C@H]1CC[C@@H](CC1)OC(=O)[C@](O)(c1cccs1)c1ccc(C)s1 |r,wU:34.38,43.49,wD:14.14,37.45,43.56,(4.5,4.18,;4.5,5.72,;3.16,6.49,;1.83,5.72,;.5,6.49,;-.84,5.72,;-1.16,4.21,;-2.69,4.05,;-3.32,5.46,;-4.78,5.93,;-5.1,7.44,;-6.59,7.84,;-7.68,6.75,;-9.16,7.15,;-10.25,6.06,;-9.85,4.57,;-11.74,6.46,;-12.83,5.37,;-14.32,5.77,;-14.72,7.26,;-16.2,7.65,;-13.63,8.34,;-14.03,9.83,;-12.94,10.92,;-13.33,12.41,;-11.45,10.52,;-11.05,9.03,;-12.14,7.95,;-3.96,8.47,;-3.96,10.01,;-2.49,10.49,;-1.59,9.24,;-2.49,7.99,;-2.17,6.49,;5.83,6.49,;5.83,8.03,;7.16,8.8,;8.5,8.03,;8.5,6.49,;7.16,5.72,;9.83,8.8,;11.17,8.03,;11.17,6.49,;12.5,8.8,;13.83,9.57,;12.5,10.34,;11.25,11.24,;11.73,12.71,;13.27,12.71,;13.75,11.24,;13.83,8.03,;15.3,8.5,;16.2,7.26,;15.3,6.01,;15.7,4.53,;13.83,6.49,)|
BDBM624947 CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)c3CCCc3c12)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1ccc(C)s1 |r,wU:34.38,wD:14.14,37.45,(4.5,4.18,;4.5,5.72,;3.16,6.49,;1.83,5.72,;.5,6.49,;-.84,5.72,;-1.16,4.21,;-2.69,4.05,;-3.32,5.46,;-4.78,5.93,;-5.1,7.44,;-6.59,7.84,;-7.68,6.75,;-9.16,7.15,;-10.25,6.06,;-9.85,4.57,;-11.74,6.46,;-12.83,5.37,;-14.32,5.77,;-14.72,7.26,;-16.2,7.65,;-13.63,8.34,;-14.03,9.83,;-12.94,10.92,;-13.33,12.41,;-11.45,10.52,;-11.05,9.03,;-12.14,7.95,;-3.96,8.47,;-3.96,10.01,;-2.49,10.49,;-1.59,9.24,;-2.49,7.99,;-2.17,6.49,;5.83,6.49,;5.83,8.03,;7.16,8.8,;8.5,8.03,;8.5,6.49,;7.16,5.72,;9.83,8.8,;11.17,8.03,;11.17,6.49,;12.5,8.8,;13.83,9.57,;12.5,10.34,;11.25,11.24,;11.73,12.71,;13.27,12.71,;13.75,11.24,;13.83,8.03,;15.3,8.5,;16.2,7.26,;15.3,6.01,;15.7,4.53,;13.83,6.49,)|
BDBM624953 O[C@@H](CNCc1cc2nnn(CCCN3CCC4(C[C@H](CO4)OC(=O)C(O)(c4cccs4)c4cccs4)CC3)c2c2CCCc12)c1ccc(O)c2[nH]c(=O)ccc12 |r|
BDBM624955 O[C@@H](CNCc1cc2nnn(CCCN3CCC4(C[C@@H](CO4)OC(=O)C(O)(c4cccs4)c4cccs4)CC3)c2c2CCCc12)c1ccc(O)c2[nH]c(=O)ccc12 |r|
CHEMBL5277670 CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
CHEMBL5289667 CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
CHEMBL5289083 CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
CHEMBL5274390 Fc1ccc(NC(=O)OC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
CHEMBL5282659 NCCCCCCN1CCC(CC1)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1
CHEMBL5265833 Fc1ccc(NC(=O)OCC2CCN(CCCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
CHEMBL5273907 CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
CHEMBL5289601 CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|
CHEMBL5271406 CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCS(O)(=O)=O)c2ccccc12 |c:9|
CHEMBL5281043 NCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
CHEMBL5270870 NCCCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
CHEMBL5279174 Fc1ccc(NC(=O)OCC2CCN(CCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
CHEMBL5287315 Fc1ccc(NC(=O)OC2CCN(CCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
CHEMBL5270925 Fc1ccc(NC(=O)OC2CCN(CCCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1
CHEMBL5284000 NCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1
CHEMBL5283759 CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCN5CCC(CC5)OC(=O)Nc5ccc(F)cc5-c5ccc(F)c(Cl)c5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(17.61,12.58,;17.61,11.04,;18.94,10.27,;16.28,10.27,;16.28,8.74,;14.95,7.96,;13.61,8.73,;12.28,7.96,;12.28,6.42,;10.94,5.65,;10.94,4.12,;12.28,3.35,;13.61,4.12,;13.61,5.66,;15.15,5.66,;15.92,6.99,;15.92,4.32,;12.28,1.81,;11.13,.78,;11.76,-.63,;10.99,-1.96,;9.45,-1.96,;8.68,-3.3,;7.14,-3.3,;6.37,-4.63,;4.83,-4.63,;3.8,-3.49,;2.39,-4.11,;1.06,-3.34,;-.28,-4.11,;-1.61,-3.34,;-2.94,-4.11,;-4.28,-3.34,;-5.61,-4.11,;-6.94,-3.34,;-8.28,-4.11,;-8.28,-5.65,;-6.94,-6.42,;-5.61,-5.65,;-9.61,-6.42,;-10.95,-5.65,;-10.95,-4.11,;-12.28,-6.42,;-12.28,-7.96,;-10.95,-8.73,;-10.95,-10.27,;-12.28,-11.04,;-12.28,-12.58,;-13.61,-10.28,;-13.61,-8.73,;-14.95,-7.96,;-16.28,-8.73,;-17.61,-7.96,;-17.61,-6.42,;-18.94,-5.65,;-16.28,-5.66,;-16.28,-4.12,;-14.95,-6.42,;2.55,-5.64,;4.06,-5.96,;13.29,-.47,;13.61,1.04,;10.94,8.73,;9.61,7.96,;8.28,8.73,;8.28,10.27,;9.61,11.04,;10.94,10.27,;12.28,11.04,;13.61,10.27,;14.94,11.04,;6.94,11.04,;5.61,10.27,;6.94,12.58,)|
CHEMBL5267836 CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(CC5)OC(=O)Nc5ccc(F)cc5-c5ccc(F)c(Cl)c5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(16.94,9.27,;16.94,7.73,;18.27,6.96,;15.6,6.96,;15.61,5.43,;14.28,4.65,;12.94,5.42,;11.6,4.65,;11.6,3.11,;10.27,2.34,;10.27,.81,;11.6,.04,;12.94,.81,;12.93,2.35,;14.47,2.35,;15.24,3.68,;15.24,1.02,;11.6,-1.5,;10.46,-2.53,;11.08,-3.94,;10.31,-5.27,;8.77,-5.27,;8,-6.61,;6.46,-6.61,;5.69,-7.94,;4.15,-7.94,;3.12,-6.8,;1.72,-7.42,;.38,-6.65,;-.95,-7.42,;-2.28,-6.65,;-3.62,-7.42,;-4.95,-6.65,;-6.28,-7.42,;-7.62,-6.65,;-7.6,-5.11,;-8.93,-4.33,;-10.27,-5.09,;-10.29,-6.63,;-8.96,-7.41,;-11.6,-4.31,;-11.59,-2.77,;-10.25,-2.01,;-12.91,-1.99,;-14.25,-2.75,;-14.27,-4.28,;-15.61,-5.04,;-16.93,-4.26,;-18.27,-5.02,;-16.93,-2.73,;-15.58,-1.96,;-15.57,-.42,;-16.89,.36,;-16.88,1.89,;-15.54,2.65,;-15.53,4.19,;-14.22,1.88,;-12.88,2.64,;-14.22,.34,;1.88,-8.95,;3.38,-9.27,;12.62,-3.78,;12.94,-2.27,;10.27,5.42,;8.94,4.65,;7.6,5.42,;7.6,6.96,;8.94,7.73,;10.27,6.96,;11.6,7.73,;12.94,6.96,;14.27,7.73,;6.27,7.73,;4.94,6.96,;6.27,9.27,)|
CHEMBL5268503 CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(20.48,-6.06,;19.16,-6.85,;19.18,-8.39,;17.81,-6.1,;16.5,-6.89,;15.15,-6.15,;15.12,-4.61,;13.78,-3.86,;12.45,-4.65,;11.11,-3.91,;9.79,-4.69,;9.82,-6.23,;11.17,-6.98,;12.48,-6.18,;13.28,-7.51,;14.82,-7.48,;12.53,-8.85,;8.5,-7.03,;7.02,-6.58,;6.14,-7.84,;4.6,-7.86,;3.81,-6.54,;2.27,-6.57,;1.48,-5.25,;-.06,-5.27,;-.86,-3.95,;-.41,-2.48,;-1.67,-1.6,;-1.69,-.06,;-3.04,.69,;-3.07,2.23,;-4.41,2.97,;-4.44,4.51,;-5.79,5.26,;-5.81,6.8,;-7.16,7.55,;-8.48,6.76,;-9.81,7.53,;-11.15,6.76,;-12.48,7.53,;-12.48,9.07,;-13.81,6.76,;-13.81,5.22,;-12.49,4.45,;-12.49,2.91,;-13.81,2.14,;-13.81,.6,;-15.15,2.9,;-15.15,4.45,;-16.48,5.22,;-17.82,4.45,;-19.14,5.22,;-19.14,6.76,;-20.48,7.53,;-17.82,7.53,;-17.82,9.07,;-16.48,6.76,;-8.45,5.22,;-7.11,4.47,;-2.9,-2.52,;-2.4,-3.98,;7.07,-9.07,;8.52,-8.57,;13.75,-2.32,;12.4,-1.57,;12.38,-.03,;13.7,.76,;15.04,.01,;15.07,-1.53,;16.42,-2.28,;16.44,-3.81,;17.78,-4.56,;13.67,2.3,;12.32,3.05,;14.99,3.09,)|
CHEMBL5285607 CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(18.94,10.27,;18.94,8.73,;20.27,7.96,;17.6,7.96,;17.61,6.42,;16.28,5.65,;14.94,6.42,;13.61,5.65,;13.61,4.11,;12.27,3.34,;12.27,1.8,;13.6,1.03,;14.94,1.81,;14.93,3.35,;16.47,3.35,;17.24,4.68,;17.24,2.01,;13.6,-.51,;12.46,-1.54,;13.09,-2.94,;12.32,-4.28,;10.78,-4.28,;10.01,-5.61,;8.47,-5.61,;7.7,-6.94,;6.16,-6.94,;5.13,-5.8,;3.72,-6.43,;2.39,-5.66,;1.05,-6.43,;-.28,-5.66,;-1.61,-6.43,;-2.95,-5.66,;-4.28,-6.43,;-5.62,-5.66,;-5.6,-4.12,;-6.93,-3.33,;-8.27,-4.09,;-9.61,-3.33,;-10.94,-4.1,;-12.27,-3.34,;-12.28,-1.8,;-13.6,-4.11,;-13.6,-5.65,;-12.27,-6.42,;-12.26,-7.96,;-13.59,-8.73,;-13.58,-10.27,;-14.93,-7.97,;-14.93,-6.43,;-16.27,-5.66,;-17.6,-6.44,;-18.93,-5.67,;-18.94,-4.13,;-20.27,-3.37,;-17.61,-3.36,;-17.62,-1.82,;-16.27,-4.11,;-8.28,-5.63,;-6.96,-6.41,;3.88,-7.96,;5.39,-8.28,;14.62,-2.78,;14.94,-1.28,;12.27,6.42,;10.94,5.65,;9.6,6.42,;9.61,7.96,;10.94,8.73,;12.27,7.96,;13.61,8.73,;14.94,7.96,;16.27,8.73,;8.27,8.73,;6.94,7.96,;8.27,10.27,)|
CHEMBL5279691 Cc1cc(nc(Nc2ccccc2-c2nnn[nH]2)n1)C(F)(F)F
CHEMBL5283571 CC1CCNCc2c(OCC#C)noc12