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2522 SMILES Strings for Muscarinic acetylcholine receptor M4

Compound NameSMILES String
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM10759 CC(=O)OCC[N+](C)(C)C
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|
BDBM22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
BDBM22871 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
BDBM22985 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
BDBM22416 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
BDBM26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
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,)|
BDBM50451110 COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |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|
BDBM35229 CNCCCN1c2ccccc2CCc2ccccc12
BDBM35254 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
BDBM35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
BDBM39341 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM43821 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
BDBM43822 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
BDBM48043 COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
BDBM48044 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc2OCOc2c1
BDBM48045 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1F
BDBM48046 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1Cl
BDBM48047 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(Cl)c1
BDBM48048 Cc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1
BDBM48049 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccncc1
BDBM48050 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccnc1
BDBM48051 Cc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
BDBM48052 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Br)cc1
BDBM48053 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC(F)(F)F)cc1
BDBM48054 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F
BDBM48055 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(F)c(F)c1
BDBM48056 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1F
BDBM48057 COc1ccc(CNC(=O)c2sc3nc(OCCCN(C)C)cc(C)c3c2N)cc1
BDBM48058 COc1ccc(CNC(=O)c2sc3nc(OCCN(C)C)cc(C)c3c2N)cc1
BDBM48059 COc1ccc(CNC(=O)c2sc3nc(OCCN4CCOCC4)cc(C)c3c2N)cc1
BDBM48060 COc1ccc(CNC(=O)c2sc3nc(OCCN4CCCC4)cc(C)c3c2N)cc1
BDBM48061 COc1ccc(CNC(=O)c2sc3nc(OCC4CCCN(C)C4)cc(C)c3c2N)cc1
BDBM48062 CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC)cc1
BDBM48063 COc1ccc(CNC(=O)c2sc3nc(OC(C)C)cc(C)c3c2N)cc1
BDBM48064 COc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1
BDBM48065 COc1ccc(CNC(=O)c2sc3nc(OCc4cccnc4)cc(C)c3c2N)cc1
BDBM48066 COc1ccc(CNC(=O)c2sc3nc(OCc4ccccn4)cc(C)c3c2N)cc1
BDBM48067 CCCCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC)cc1
BDBM48068 CN(C)CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NC1COC1
BDBM48069 CN(C)CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F
BDBM48070 Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC3COC3)c(N)c12
BDBM48071 COCCCNC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
BDBM48072 CC(C)NC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
BDBM48073 Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC(C)(C)C)c(N)c12
BDBM48074 Cc1cc(OCc2ccccn2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
BDBM48075 Cc1cc(OCc2ccccn2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
BDBM48076 Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
BDBM48077 Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
BDBM48078 Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)Nc3ccccc3)c(N)c12
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
BDBM62964 COc1ccc(C)c2sc(NC(=O)C3=COCCO3)nc12 |t:13|
BDBM65913 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1
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
BDBM78576 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
BDBM79215 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
BDBM82217 CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)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
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
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
BDBM81959 C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
BDBM81961 C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
BDBM81452 CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
BDBM81462 OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1
BDBM81790 CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
BDBM81799 O[Si](CCCN1CCCCC1)(C1CCCCC1)c1ccccc1
BDBM81800 CCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1
BDBM81484 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
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
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|
BDBM81771 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
BDBM81780 CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|
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
BDBM86048 CC(CCC(=O)NCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
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
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|
BDBM85380 COc1cc(CCN)ccc1O
BDBM85381 O[Si](CCCN1CCCCC1)(C1CCCCC1)c1ccc(F)cc1
BDBM85473 NC(CS(O)(=O)=O)C(O)=O
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
BDBM85093 Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM86748 CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
BDBM86698 CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|
BDBM112777 [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM50004656 C[N+](C)(C)CCOC(N)=O
BDBM50004665 O=C1CCCN1CC#CCN1CCCC1
BDBM50003359 CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
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
BDBM50005685 CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
BDBM50005686 CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
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
BDBM50007692 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
BDBM50008071 Cc1ccc(C[N+](C)(C)C)o1
BDBM50006243 C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
BDBM50006580 CSc1nsnc1C1=CCCN(C)C1 |t:8|
BDBM50006584 C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
BDBM50010101 CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1
BDBM50010588 CNC(C)Cc1ccc2OCOc2c1
BDBM50010859 CN(C)CCCN1c2ccccc2CCc2ccccc12
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
BDBM50012333 O=C(CN1CCN(CC1)C(=S)Nc1ccccc1)N1c2ccccc2C(=O)Nc2cccnc12
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
BDBM50012346 CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012354 CC(=O)N1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50012363 NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1
BDBM50012365 ClCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
BDBM50014247 COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1
BDBM50017721 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|
BDBM50018229 CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1
BDBM50018056 CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50017674 CN(C)CCOC(c1ccccc1)c1ccccc1
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|
BDBM50020712 [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
BDBM50028066 N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
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|
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
BDBM50033447 Cc1ccccc1N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
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,)|
BDBM50035277 C#CCOc1noc2CCCNCc12
BDBM50035278 CCOc1noc2CCCNCc12
BDBM50035279 COc1noc2CCCNCc12
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,)|
BDBM50040241 CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2ccccc12 |t:8|
BDBM50003016 [I-].C[C@H]1COC[C@H](C[N+](C)(C)C)O1
BDBM50048803 Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
BDBM50048866 COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12
BDBM50048392 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
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
BDBM50062155 CN1CCC2=C(C1)c1nsnc1SC2 |c:4|
BDBM50062157 C1Cc2ccc3nsnc3c2CN1
BDBM50062158 CSc1nsnc1C1=C(C)CCN(C)C1 |c:8|
BDBM50062598 OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1
BDBM50062614 CN(C)CCOC(c1ccccc1)c1ccccc1C
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|
BDBM50064176 COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
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|
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,)|
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
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
BDBM50075360 COc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
BDBM50079527 CN(C)CC\C=C1\c2ccccc2COc2ccccc12
BDBM50081082 Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)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|
BDBM50094703 Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
BDBM50094968 CN1CCN=C1Cc1cccnc1 |c:4|
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
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
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
BDBM50106485 COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1
BDBM50106486 COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1
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|
BDBM50107698 CN1CCC=C(C1)c1nsnc1OCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:30|
BDBM50107700 CN1CCC=C(C1)c1nsnc1OCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:24|
BDBM50107702 CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:32|
BDBM50107708 CN1CCC=C(C1)c1nsnc1OCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:28|
BDBM50107709 CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:33|
BDBM50107710 CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:34|
BDBM50107712 CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:32|
BDBM50107714 CN1CCC=C(C1)c1nsnc1OCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:29|
BDBM50107715 CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:34|
BDBM50111346 Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N
BDBM50122054 Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13|
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,)|
BDBM50130293 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
BDBM50130257 CN(C)CC\C=C1/c2ccccc2Sc2ccc(Cl)cc12
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
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|
BDBM50165008 CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
BDBM50165019 CCN(CC)CC#CCOC(=O)C(O)(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
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
BDBM50187673 COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1
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
BDBM50206182 Oc1cccc(c1)C1NCCc2c1[nH]c1ccccc21 |w:7.7|
BDBM50206161 CSc1ccc(CC2NCCc3c2[nH]c2ccccc32)cc1 |w:7.6|
BDBM50206162 COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CC3SCCSC3c2c1 |w:21.22,26.27|
BDBM50206163 COc1cccc(CC2NCCc3c2[nH]c2ccccc32)c1
BDBM50206164 CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 |w:9.9|
BDBM50206165 COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCC(OC(C)=O)c2c1 |w:23.25|
BDBM50206166 CCCCSC1CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |w:5.4|
BDBM50206167 CN(Cc1ccccc1)\C=N\c1ccc2CCC(O)c2c1 |w:17.18|
BDBM50206169 COc1ccc2[nH]c3C(Cc4ccc5OCOc5c4)NCCc3c2c1 |w:8.8|
BDBM50206170 COc1cccc(c1)C1=NCCc2c1[nH]c1ccccc21 |t:9|
BDBM50206171 OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:1.0|
BDBM50206172 C(C1NCCc2c1[nH]c1ccccc21)c1ccc2OCOc2c1
BDBM50206173 CC(=O)OC1CCCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
BDBM50206174 COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:22.24|
BDBM50206175 COc1cccc(CC2NCCc3c2[nH]c2ccc(OC)cc32)c1 |w:8.7|
BDBM50206176 COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCN(C(=O)OC(C)(C)C)c2c1
BDBM50206177 COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(O)c2c1 |w:24.26|
BDBM50206178 CC(=O)OC1CCc2ccc(cc12)\N=C\N1CCc2ccccc2C1 |w:4.3|
BDBM50206180 COc1ccc2CC3c4cc5OCOc5cc4CC[N+]3(C)Cc2c1OC
BDBM50206181 CCCCSC1=CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |t:5|
BDBM50206183 CN(Cc1ccccc1)\C=N\c1ccc2CCC(OC(C)=O)c2c1 |w:17.18|
BDBM50206184 COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC3SCCSC3c2c1 |w:22.23,27.28|
BDBM50206185 COc1ccc2[nH]c3c(CCN=C3c3cc(cn3C)[N+]([O-])=O)c2c1 |c:11|
BDBM50206186 Oc1c(F)cccc1CC1NCCc2c1[nH]c1ccccc21 |w:9.9|
BDBM50206187 COC(=O)N1CCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1
BDBM50206188 COc1cccc(c1)C1=NCCc2c1[nH]c1ccc(OC)cc21 |t:9|
BDBM50206189 CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21 |w:11.11|
BDBM50206190 COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCCCC(OC(C)=O)c2c1 |w:24.26|
BDBM50206191 CCCOC1CCCc2ccc(cc12)\N=C\N1CCc2cc(OC)c(OC)cc2C1 |w:4.3|
BDBM50206192 COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(O)c2c1 |w:22.24|
BDBM50206193 COc1cccc(c1)C1NCCc2c1[nH]c1ccccc21 |w:8.8|
BDBM50206179 C1Cc2c([nH]c3ccccc23)C(N1)c1ccccc1
BDBM50212239 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
BDBM50215552 FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50217942 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
BDBM50220147 N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
BDBM50223174 O=C1CCON1CC#CC[NH+]1CCCCC1
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
BDBM50223182 O=C1CCON1CC#CCN1CCCC1
BDBM50223165 Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
BDBM50223166 C(Oc1cc(on1)-c1ccccc1)C#CC[NH+]1CCCC1
BDBM50223170 Cc1cc(OCC#CC[N+](C)(C)C)no1
BDBM50223173 C[NH+](C)CC#CCOc1cc(C)on1
BDBM50223163 C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|
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
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
BDBM50244809 C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
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,)|
BDBM50283920 Fc1ccc(cc1)[Si]1(CCC(C1)N1CCN(CC1)c1ccccc1)c1ccc(F)cc1
BDBM50271706 COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
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]
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|
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
BDBM50286670 NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3cccc4ccccc34)cc12
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,)|
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|
BDBM50297077 FC(F)(F)c1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 |r|
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|
BDBM50309861 Cc1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(20.91,-29.51,;19.38,-29.74,;18.4,-28.53,;16.88,-28.77,;16.32,-30.21,;14.88,-30.76,;14.94,-32.29,;16.44,-32.7,;17.29,-31.42,;18.82,-31.19,;13.61,-33.07,;13.98,-34.53,;12.97,-33.81,;11.6,-33.88,;11.52,-32.18,;12.14,-31.03,;12.2,-32.44,;10.91,-33.15,;10.61,-34.59,)|
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
BDBM50323692 CC(C)NC(=O)c1sc2nc(C)cc(C)c2c1N
BDBM50323689 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(F)cc1
BDBM50323690 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(cc1)C(F)(F)F
BDBM50323691 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Cl)cc1
BDBM50323693 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1
BDBM50323694 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccco1
BDBM50326217 COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc34)CC2)cc1OC
BDBM50326218 O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
BDBM50326219 CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
BDBM50336843 Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N
BDBM50342538 C(c1ccccc1)c1ncc2CCNCCc2n1
BDBM50333880 Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O
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|
BDBM50358783 Oc1ccc(C(=O)COc2ccccc2Br)c(O)c1
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,)|
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|
BDBM50364326 COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|
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
BDBM50373841 CCCCOc1cccc(c1)C(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
BDBM50376590 C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(CC1)C1CC[N+](C)(CCCC(O)(c2ccccc2)c2ccccc2)CC1 |(6.92,-12.95,;7.69,-11.62,;6.35,-10.87,;6.33,-9.33,;4.99,-8.57,;4.97,-7.03,;4.94,-5.48,;6.5,-7,;7.3,-8.33,;8.83,-8.3,;9.58,-6.95,;8.78,-5.63,;7.25,-5.66,;3.44,-7.08,;2.63,-5.77,;1.1,-5.81,;.36,-7.17,;1.18,-8.48,;2.71,-8.43,;8.45,-12.95,;9.99,-12.97,;10.77,-11.64,;10.01,-10.29,;8.47,-10.29,;12.31,-11.65,;13.06,-12.99,;14.6,-13,;15.38,-11.68,;16.47,-10.58,;16.69,-12.49,;16.64,-14.03,;17.95,-14.84,;17.9,-16.38,;17.86,-17.91,;16.36,-16.34,;15.63,-14.98,;14.09,-14.94,;13.28,-16.25,;14.02,-17.61,;15.56,-17.65,;19.43,-16.44,;20.16,-17.8,;21.69,-17.85,;22.51,-16.55,;21.78,-15.18,;20.25,-15.13,;14.62,-10.33,;13.08,-10.32,)|
BDBM50376591 OC(CCCN1CCC(CC1)C1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1
BDBM50383117 C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50382118 CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|
BDBM50382119 CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccc(Cl)c1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
BDBM50382121 CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|
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|
BDBM50366923 CCN(C)C1CCCc2ccncc12
BDBM50366775 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r|
BDBM50379186 CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
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|
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,)|
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,)|
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
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|
BDBM50395966 CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
BDBM50407222 CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
BDBM50406547 O=C(CN1CCNCC1)N1c2ncccc2NC(=O)c2cccnc12
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|
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|
BDBM50400511 CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,9.11,wD:24.26,6.6,(12.17,-57.06,;12.17,-55.52,;10.84,-54.75,;10.84,-53.21,;12.18,-52.44,;13.51,-53.21,;14.85,-52.45,;14.83,-53.98,;16.33,-52.85,;16.73,-51.37,;15.24,-50.96,;18.07,-50.6,;19.4,-51.38,;19.39,-52.92,;20.77,-50.64,;20.76,-49.1,;22.08,-48.34,;23.41,-49.1,;24.74,-48.33,;26.07,-49.11,;26.07,-50.65,;24.73,-51.41,;23.4,-50.63,;22.09,-51.39,;9.51,-52.44,;9.51,-50.9,;8.18,-50.12,;6.85,-50.89,;5.38,-50.41,;4.47,-51.66,;2.93,-51.66,;5.38,-52.92,;6.85,-52.44,;8.18,-53.2,)|
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|
BDBM50403547 CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
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|
BDBM50401673 COc1ccc2c(C)c(oc2c1)C(=O)N(CCCN1CCCCC1)c1ccccc1
BDBM50401674 COc1cc2oc(C(=O)N(CCCN3CCCCC3)c3ccccc3)c(C)c2cc1OC
BDBM50417445 C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1
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
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
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|
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|
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|
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|
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
BDBM50423937 Cc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(C)c1Cl
BDBM50423940 CC(C)NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N
BDBM50423941 Cc1nc2sc(C(=O)NC3COC3)c(N)c2c(C)c1Cl
BDBM50423968 Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
BDBM50423938 Cc1nc2sc(C(=O)NC3CCOCC3)c(N)c2c(C)c1Cl
BDBM50423939 Cc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl
BDBM50423942 Cc1nc2sc(C(=O)NC3CCOC3)c(N)c2c(C)c1Cl
BDBM50423943 CCOc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1
BDBM50423944 COc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1
BDBM50423945 CN(C)c1ccccc1CNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N
BDBM50423946 Cc1nc2sc(C(=O)NCc3ccc(cc3)C(F)(F)F)c(N)c2c(C)c1Cl
BDBM50423947 Cc1nc2sc(C(=O)NCc3nccs3)c(N)c2c(C)c1Cl
BDBM50423948 Cc1nc2sc(C(=O)NCc3ccc(Cl)cc3)c(N)c2c(C)c1Cl
BDBM50423949 Cc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1
BDBM50423950 Cc1nc2sc(C(=O)NCc3ccccc3Cl)c(N)c2c(C)c1Cl
BDBM50423951 Cc1nc2sc(C(=O)NCc3ccc(F)c(F)c3)c(N)c2c(C)c1Cl
BDBM50423952 Cc1nc2sc(C(=O)NCc3ccccc3)c(N)c2c(C)c1Cl
BDBM50423953 Cc1nc2sc(C(=O)NCc3ccc4OCOc4c3)c(N)c2c(C)c1Cl
BDBM50423954 Cc1nc2sc(C(=O)NCc3ccnnc3)c(N)c2c(C)c1Cl
BDBM50423955 Cc1nc2sc(C(=O)NCc3ncccn3)c(N)c2c(C)c1Cl
BDBM50423956 Cc1nc2sc(C(=O)NCc3ccncn3)c(N)c2c(C)c1Cl
BDBM50423957 Cc1nc2sc(C(=O)NCc3cnccn3)c(N)c2c(C)c1Cl
BDBM50423958 Cc1nc2sc(C(=O)NCCc3ccccn3)c(N)c2c(C)c1Cl
BDBM50423959 Cc1nc2sc(C(=O)NCCc3cccnc3)c(N)c2c(C)c1Cl
BDBM50423960 Cc1nc2sc(C(=O)NCCc3ccncc3)c(N)c2c(C)c1Cl
BDBM50423961 CC(NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N)c1ccccn1
BDBM50423962 Cc1nc2sc(C(=O)NCc3ccccn3)c(N)c2c(C)c1Cl
BDBM50423963 CC(NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N)c1cccnc1
BDBM50423964 Cc1nc2sc(C(=O)NCc3cccnc3)c(N)c2c(C)c1Cl
BDBM50423965 Cc1cc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)ccn1
BDBM50423966 CC(NC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N)c1ccncc1
BDBM50423967 Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl
BDBM50423969 Cc1nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c2c(C)c1Cl
BDBM50423970 COc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1
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
BDBM50420100 COc1ccc(C)c2sc(NC(=O)NC3CCCC3)nc12
BDBM50420105 COc1ccc(C)c2sc(NC(=O)C3CCCCC3)nc12
BDBM50420090 COc1ccc(C)c2sc(NC(=O)c3ccncc3)nc12
BDBM50420094 COc1ccc(C)c2sc(NC(=O)C3CCCCO3)nc12
BDBM50420095 COc1ccc(C)c2sc(NC(=O)C3CCCOC3)nc12
BDBM50420096 COc1ccc(C)c2sc(NC(=O)c3cccnc3)nc12
BDBM50420097 COc1ccc(C)c2sc(NC(=O)c3cnccn3)nc12
BDBM50433574 FC(F)(F)Oc1ccc2N(CCOc3ccccc3)C(=O)C(=O)c2c1
BDBM50428138 CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2 |r,THB:3:5:11.28.10:7.8|
BDBM50428139 CCOC(=O)N1CCC(O)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r|
BDBM50428140 CCOC(=O)N1CCC(C)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1 |r|
BDBM50423934 Cc1nc2sc(C(=O)NCC3CCCCC3)c(N)c2c(C)c1Cl
BDBM50423935 CN1CCCC1CCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N
BDBM50423936 COCCCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1N
BDBM50420091 COc1ccc(C)c2sc(NC(=O)C3CC3C)nc12
BDBM50420092 COc1ccc(C)c2sc(NC(=O)C3CCC3)nc12
BDBM50420093 COc1ccc(C)c2sc(NC(=O)C3CCCC3)nc12
BDBM50420098 COc1ccc(C)c2sc(NC(=O)NC3CC3)nc12
BDBM50420099 COc1ccc(C)c2sc(NC(=O)N3CCCC3)nc12
BDBM50420101 COc1ccc(C)c2sc(nc12)C(=O)NC1CC1
BDBM50420102 COc1cccc2sc(NC(=O)c3ccncc3)nc12
BDBM50420103 CCCC(=O)Nc1nc2c(OC)ccc(C)c2s1
BDBM50420104 COc1ccc(C)c2sc(NC(=O)c3ccco3)nc12
BDBM50420106 COc1ccc(C)c2sc(NC(=O)C3CC3)nc12
BDBM50420107 COCC(=O)Nc1nc2c(OC)ccc(C)c2s1
BDBM50445222 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 |r|
BDBM50445223 Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3C12c1ccccc1
BDBM50019336 CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
BDBM50018019 Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
BDBM50019335 CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
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,)|
BDBM50044634 OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1
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|
BDBM50042441 COc1ccc(cc1C)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1 |r|
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
BDBM50130927 [H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|
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|
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|
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|
BDBM50174724 Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCC3)c2c1C
BDBM50174741 Cc1ccc(OC2CCN(CC2)c2cc(C)nc3ccc(F)cc23)cn1
BDBM50174742 Cc1ccn2nc(C)nc(N3CCC(CC3)Oc3ccc(C)nc3)c12
BDBM50174589 Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)N3CCNC3=O)c2c1C
BDBM50174590 Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(F)cc3Cl)c2c1C
BDBM50174723 Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3cc(Cl)ccc3Cl)c2c1C
BDBM50174725 Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CC[C@H](F)C3)c2c1C |r|
BDBM50174726 Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCC(F)(F)C3)c2c1C
BDBM50174727 Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCOCC3)c2c1C
BDBM50174728 Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCSCC3)c2c1C
BDBM50174731 Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(C)nc3)c2c1C
BDBM50174732 Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(F)nc3)c2c1C
BDBM50174733 Cc1sc2ncnc(N3CCC(CC3)Oc3ccc(Cl)nc3)c2c1C
BDBM50174587 CNC(=O)c1ccc(NC(=O)C2CCN(CC2)c2ncnc3sc(C)c(C)c23)cc1
BDBM50174734 Cc1sc2ncnc(N3CCC(CC3)Oc3ccc4OCCc4c3)c2c1C
BDBM50174736 Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1
BDBM50174737 Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1C
BDBM50174738 CCCN(C1CCN(CC1)c1ncnc2sc(C)c(C)c12)c1ccc(C)nc1
BDBM50174739 CCCCN(C1CCN(CC1)c1ncnc2sc(C)c(C)c12)c1ccc(C)nc1
BDBM50174740 Cc1sc2ncnc(N3CCC(CC3)C(N)=O)c2c1C
BDBM50174585 Cc1sc2ncnc(N3CCC(CC3)C(=O)NCc3ccc(cc3)S(N)(=O)=O)c2c1C
BDBM50174586 Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)C(N)=O)c2c1C
BDBM50174588 Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(cc3)S(C)(=O)=O)c2c1C
BDBM50174729 Cc1sc2ncnc(N3CCC(CC3)C(=O)N3CCCc4cc(ccc34)S(C)(=O)=O)c2c1C
BDBM50174730 Cc1sc2ncnc(N3CCC(CC3)Oc3cnc(C)nc3)c2c1C
BDBM50174735 Cc1ccc2ncnc(N3CCC(CC3)Oc3ccc(C)nc3)c2c1
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|
BDBM50207519 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)CF)c(N)c2c1C
BDBM50207520 COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
BDBM50207463 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
BDBM50207515 CC(C)S(=O)(=O)c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
BDBM50207516 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C
BDBM50207518 Cc1nnc2sc(C(=O)NCc3cccc(c3)S(C)(=O)=O)c(N)c2c1C
BDBM50207521 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(C)(C)C)c(N)c2c1C
BDBM50207522 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C3CC3)c(N)c2c1C
BDBM50207523 CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
BDBM50207524 Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(C)(=O)=O)c(N)c2c1C
BDBM50207525 Cc1nnc2sc(C(=O)NCc3ccc(c(F)c3)S(C)(=O)=O)c(N)c2c1C
BDBM50207526 Cc1nnc2sc(C(=O)NCc3ccc(c(F)c3)S(=O)(=O)C(F)F)c(N)c2c1C
BDBM50207527 C[S+]([O-])c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
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,)|
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
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
BDBM50213288 CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1)CCCCCCN1CCC2(CC1)OC(=O)C(O2)(c1ccccc1)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|
BDBM50230694 CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
BDBM280415 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncc(OC)c1
BDBM280416 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccnc1C
BDBM280417 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cc(C)cnc1OCC
BDBM280418 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cnccc1OC
BDBM280419 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccnc1N(C)C
BDBM280420 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncc(n1)N(C)C
BDBM280421 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncnc1OC
BDBM280422 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(F)F
BDBM280423 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCC
BDBM280424 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCc1cc(C)no1
BDBM280425 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(C)C
BDBM280426 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccn(CC#N)c1=O
BDBM280427 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccn(CC)c1=O
BDBM280428 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(Cl)cnc1OC
BDBM280429 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nc(C)cnc1C
BDBM280430 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nc(ncc1OC)C(F)(F)F
BDBM280431 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1cnn(c1)C(C)C
BDBM280432 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1NC
BDBM280433 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nc(C)ncc1OC
BDBM280434 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1ccnn1C
BDBM280435 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1N(C)C
BDBM280436 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1C1CC1
BDBM280437 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1NCC1CC1
BDBM280438 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nccs1
BDBM280439 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(F)(F)F
BDBM280440 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1CC
BDBM280441 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nnccc1OC
BDBM280442 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccc(OCC)n1
BDBM280443 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1cnn(C)c1
BDBM280444 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccn1
BDBM280445 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncnc1C
BDBM280446 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCc1cscn1
BDBM280447 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1CC(C)C
BDBM280448 COC(=O)N1CCC(CN2CCC(C2)n2nc(C)cc2C)CC1
BDBM280449 CCOC(=O)N1CCC(CN2CCC(C2)n2nc(C)cc2C)CC1
BDBM280450 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1ncco1
BDBM280451 CCOC(=O)N1CCC[C@@H](CC1)N1CCC(CC1)n1cccn1 |r|
BDBM280452 CCOC(=O)N1CCC[C@H](CC1)N1CCC(CC1)n1cccn1 |r|
BDBM280453 CCOC(=O)N1CCC[C@@H](CC1)N1CCC(CC1)c1nccn1C |r|
BDBM280454 CCOC(=O)N1CCC[C@@H](CC1)N1CCC(CC1)c1cccnc1OC |r|
BDBM280455 CCOC(=O)N1CCC[C@H](CC1)N1CCC(CC1)c1cccnc1OC |r|
BDBM280371 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nccn1C
BDBM280372 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1CC(=O)NC1CCCCC1
BDBM280373 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cccc1
BDBM280374 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cccn1
BDBM280375 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1ccc(Cl)cc1
BDBM280376 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc[nH]n1
BDBM280377 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1ccnn1C
BDBM280378 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cc(cn1)-c1ccc(Cl)cc1
BDBM280379 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1C
BDBM280380 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1CC
BDBM280381 CCCn1ccnc1C1CCN(CC1)C1CCCN(CC1)C(=O)OCC
BDBM280382 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C
BDBM280383 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)(OC)c1nccn1C
BDBM280384 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ccnn1C
BDBM280385 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nnc(o1)C(C)C
BDBM280386 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1ccc(C)n1
BDBM280387 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(n[nH]1)-c1cccs1
BDBM280388 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cc(cn1)-c1ccc(F)cc1
BDBM280389 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1CC(=O)NC1CC1
BDBM280390 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C1CC1
BDBM280391 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(=O)N(C)C
BDBM280392 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1cnn(c1)C(C)C
BDBM280393 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1COC
BDBM280394 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(=O)NCC1CC1
BDBM280395 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1sc(C)nc1C
BDBM280396 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccs1
BDBM280397 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C#N
BDBM280398 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1CNC(C)=O
BDBM280399 CCOC(=O)N1CCC(CN2CC(C2)n2cccn2)CC1
BDBM280400 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ccncc1
BDBM280401 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1ccncc1
BDBM280402 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccc(OC)n1
BDBM280403 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccc(OC)n1
BDBM280404 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccnc1OC
BDBM280405 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC
BDBM280406 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1ccnc(C)n1
BDBM280407 CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nc(OC)cc(OC)n1
BDBM280408 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
BDBM280409 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccn(C)c1=O
BDBM280410 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccnc1OC
BDBM280411 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1C
BDBM280412 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(C)cnc1OCC
BDBM280413 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(cnc1OC)C(F)(F)F
BDBM280414 CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ccncc1OC
BDBM50233360 Cc1cc(ccc1Cl)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|
BDBM50240694 Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r|
BDBM50240527 O=C(C1CCN(CC1)c1cc(Oc2ccccc2)ncn1)N1CCc2ccccc2C1
BDBM50240529 O=C(C1CCN(CC1)c1cc(Oc2ccc3ccccc3c2)ncn1)N1CCc2ccccc2C1
BDBM50240531 Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
BDBM50240553 Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)NCc2ccccc2)c(F)c1
BDBM50240532 Fc1cccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1
BDBM50240534 COc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
BDBM50240535 Fc1cccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1F
BDBM50240536 Fc1ccc(F)c(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c1
BDBM50240539 Fc1cc(Cl)ccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
BDBM50240540 Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3cc(ccc3C2)C(F)(F)F)c(F)c1
BDBM50240541 COc1ccc2CN(CCc2c1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1
BDBM50240528 Cc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1
BDBM50240533 Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
BDBM50240537 Fc1cccc(F)c1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
BDBM50240542 COc1ccc2CCN(Cc2c1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1
BDBM50240544 Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCCc3ccccc3C2)c(F)c1
BDBM50240545 CN(Cc1ccccc1)C(=O)C1CCN(CC1)c1cc(Oc2ccc(F)cc2F)ncn1
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
BDBM50240549 O=C(C1CCN(CC1)c1cc(Oc2ccc3OCOc3c2)ncn1)N1CCc2ccccc2C1
BDBM50240550 Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(Cl)c1
BDBM50240551 Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCC3CCCCC3C2)c(F)c1
BDBM372269 Cc1nnc2sc3c(ncnc3c2c1C)N1CCC1
BDBM372270 Cc1nnc2sc3c(ncnc3c2c1C)N1CC2CC2C1
BDBM372271 CN(C)C1CCN(C1)c1ncnc2c1sc1nnc(C)c(C)c21
BDBM372272 COCCN(C)c1ncnc2c1sc1nnc(C)c(C)c21
BDBM372273 Cc1nnc2sc3c(ncnc3c2c1C)N1CC2(COC2)C1
BDBM372274 COCC1CN(C1)c1ncnc2c1sc1nnc(C)c(C)c21
BDBM372275 Cc1cnc2sc3c(ncnc3c2c1)N1CCCC1
BDBM372276 Cc1cnc2sc3c(ncnc3c2c1)N1CCC(F)(F)C1
BDBM372278 Cc1cnc2sc3c(NC4CN(C4)c4ncc(cn4)C(F)(F)F)ncnc3c2c1
BDBM50261465 Cc1ccc(OC2CCN(CC2)c2ccnc3ccc(F)cc23)cn1
BDBM372279 Cc1cnc2sc3c(ncnc3c2c1)N1CCC1
BDBM372280 Cc1cnc2sc3c(ncnc3c2c1)N1CC2(COC2)C1
BDBM372281 FC(F)(F)c1cnc(nc1)N1CC(C1)Nc1ncnc2c1sc1nccnc21
BDBM372282 Cc1nnc2sc3c(ncnc3c2c1C)N1CC(F)(F)C1
BDBM372284 Cc1nnc2sc3c(NC4CN(C4)c4ccc(nc4)C(F)(F)F)ncnc3c2c1C
BDBM372285 Cc1nnc2sc3c(NC4CCN(C4)c4ccccc4)ncnc3c2c1C
BDBM372286 Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C1)c1ccncc1
BDBM372287 Cc1nnc2sc3c(NC4CC4)ncnc3c2c1C
BDBM372288 COc1ccc(cc1)C1CC1Nc1ncnc2c1sc1nnc(C)c(C)c21
BDBM372289 COc1ccc(CNc2ncnc3c2sc2nnc(C)c(C)c32)cc1F
BDBM372290 Cc1nnc2sc3c(ncnc3c2c1C)N1CCC(C1)c1ccccc1
BDBM372291 Cc1nnc2sc3c(NCc4ccc(cc4)-c4cccnc4F)ncnc3c2c1C
BDBM372292 Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C1)Oc1ccc(F)cc1
BDBM372293 Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C1)Oc1ccccc1F
BDBM372294 Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C1)Oc1cccc(F)c1
BDBM372295 Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C1)Oc1ccccc1
BDBM50249443 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccnnc3)c(N)c2c1C
BDBM50249468 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cnccn3)c(N)c2c1C
BDBM50249469 Cc1ncc(cn1)-c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
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
BDBM372296 Cc1nnc2sc3c(ncnc3c2c1C)N1CC(C)(O)C1
BDBM372297 CC(=O)N1CC(C1)Nc1ncnc2c1sc1nnc(C)c(C)c21
BDBM372298 Cc1nnc2sc3c(ncnc3c2c1C)N1CC(=O)C1
BDBM372299 Cc1nc2oc3c(NC4CC(F)(F)C4)ncnc3c2c(C)c1Cl
BDBM372300 Cc1nc2oc3c(NC4CC4)ncnc3c2c(C)c1Cl
BDBM372301 Cc1nc2oc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c2c(C)c1Cl
BDBM372302 Cc1nc2oc3c(NC4CC4(C)C)ncnc3c2c(C)c1Cl
BDBM372303 CCC1CC1Nc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
BDBM372304 Cc1nc2oc3c(ncnc3c2c(C)c1Cl)N1CCC1
BDBM50263495 O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
BDBM50263496 O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1
BDBM50263501 CCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
BDBM50263502 O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccccc1
BDBM372305 CN(C)c1ncnc2c1oc1nc(C)c(Cl)c(C)c21
BDBM372306 CNc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
BDBM372307 CCCNc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
BDBM372309 CC(C)CNc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
BDBM372310 CCNc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
BDBM372311 Cc1nc2oc3c(ncnc3c2c(C)c1Cl)N1CCCC1
BDBM372312 Cc1nc2oc3c(NC4CCC4)ncnc3c2c(C)c1Cl
BDBM372313 Cc1nc2oc3c(NC4CCCC4)ncnc3c2c(C)c1Cl
BDBM372314 Cc1nc2oc3c(NC4CC4c4ccc(F)c(F)c4)ncnc3c2c(C)c1Cl
BDBM372315 Cc1nc2oc3c(NCC4CCC4)ncnc3c2c(C)c1Cl
BDBM372316 COCCCNc1ncnc2c1oc1nc(C)c(Cl)c(C)c21
BDBM372317 Cc1ncc(CNc2ncnc3c2oc2nc(C)c(Cl)c(C)c32)cn1
BDBM372318 Cc1cc(C)c2c(n1)oc1c(NC3CCC3)ncnc21
BDBM372319 Cc1cc(C)c2c(n1)oc1c(ncnc21)N1CC2(COC2)C1
BDBM372320 Cc1cc(C)c2c(n1)oc1c(NCc3cccc(c3)C(C)(C)O)ncnc21
BDBM372322 Cc1cc(C)c2c(n1)oc1c(NC3CN(C3)c3ncc(F)cn3)ncnc21
BDBM372323 Cc1cc(C)c2c(n1)oc1c(NC3CN(C3)c3cc(Cl)ncc3Cl)ncnc21
BDBM372324 Cc1cc(C)c2c(n1)oc1c(NC3CC3c3ccc(F)c(F)c3)ncnc21
BDBM372325 Cc1cc(C)c2c(n1)oc1c(NC3CC3)ncnc21
BDBM372326 Cc1nnc2oc3c(NC4CN(C4)c4ncc(cn4)C(F)(F)F)ncnc3c2c1C
BDBM372327 Cc1nnc2oc3c(NCc4ccc(cc4)C4(O)CCC4)ncnc3c2c1C
BDBM372328 Cc1nnc2oc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c2c1C
BDBM372329 Cc1nnc2oc3c(NCc4cccc(c4)C4(O)CCC4)ncnc3c2c1C
BDBM372330 Cc1nnc2oc3c(NCc4cccc(c4)C(C)(C)O)ncnc3c2c1C
BDBM372331 Cc1nnc2oc3c(NC4CC4)ncnc3c2c1C
BDBM372332 Cc1nnc2oc3c(NC4CCC4)ncnc3c2c1C
BDBM372333 Cc1nnc2oc3c(NC4CCCC4)ncnc3c2c1C
BDBM372334 Cc1nnc2oc3c(NC4CC5(COC5)C4)ncnc3c2c1C
BDBM372335 Cc1nnc2oc3c(NC4CC(F)(F)C4)ncnc3c2c1C
BDBM372336 Cc1nnc2oc3c(ncnc3c2c1C)N1CC2(COC2)C1
BDBM372337 Cc1nnc2oc3c(NCc4ccc(nc4)C(C)(C)O)ncnc3c2c1C
BDBM372338 COc1ccc(CNc2ncnc3c2oc2nnc(C)c(C)c32)cc1F
BDBM372260 Cc1nnc2sc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c2c1C
BDBM372261 CN(C)c1ncnc2c1sc1nnc(C)c(C)c21
BDBM372262 Cc1nnc2sc3c(NC4CCCCC4)ncnc3c2c1C
BDBM372263 Cc1nnc2sc3c(NC4CCOCC4)ncnc3c2c1C
BDBM372264 Cc1nnc2sc3c(ncnc3c2c1C)N1CCCCC1
BDBM372265 Cc1nnc2sc3c(NC4CCC4)ncnc3c2c1C
BDBM372266 Cc1nnc2sc3c(ncnc3c2c1C)N1CCCC1
BDBM372267 Cc1nnc2sc3c(NC4CN(C4)c4ncc(cn4)C(F)(F)F)ncnc3c2c1C
BDBM372268 Cc1nnc2sc3c(ncnc3c2c1C)N1CCN(CC1)C1CC1
BDBM50261449 COc1ccc(CNC(=O)C2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)cc1F
BDBM50261456 Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)N3CCOCC3)c2c1
BDBM50263488 O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
BDBM50261445 NS(=O)(=O)c1ccc(NC(=O)C2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)cc1
BDBM50261446 Fc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3ccc(F)nc3)c2c1
BDBM50261447 Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)NCc3ccccc3)c2c1
BDBM50261448 COc1ccc(CNC(=O)C2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)cc1
BDBM50261450 Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)Nc3ccc(F)c(F)c3)c2c1
BDBM50253072 COc1cncc(c1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50261451 Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)Nc3ccncc3)c2c1
BDBM50261452 Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)Nc3ccncn3)c2c1
BDBM50261453 Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)Nc3ccccn3)c2c1
BDBM50261455 Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)Nc3cccnc3)c2c1
BDBM50261459 Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)N3CCc4ccccc4C3)c2c1
BDBM50261460 COc1ccc2CN(CCc2c1)C(=O)C1CCN(CC1)c1c(cnc2ccc(F)cc12)C#N
BDBM50261461 Fc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3cccnc3)c2c1
BDBM50261462 Fc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3ccc(Cl)nc3)c2c1
BDBM50253106 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(F)cc3)c(N)c2c1C
BDBM50253112 Cc1nnc2sc(C(=O)NC3CN(C3)c3cncc(F)c3)c(N)c2c1C
BDBM50261463 Cc1ccc(OC2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)cn1
BDBM50261464 Cc1ccc(OC2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)c(F)n1
BDBM50261466 Cc1ccc(OC2CCN(CC2)c2c(cnc3ccc(Cl)cc23)C#N)cn1
BDBM50261467 Cc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3ccc(C)nc3)c2c1
BDBM50261468 Cc1ccc(OC2CCN(CC2)c2c(cnc3c(F)cc(F)cc23)C#N)cn1
BDBM50261469 Cc1ccc(OC2CCN(CC2)c2c(cnc3c(C)cc(F)cc23)C#N)cn1
BDBM50261470 Cc1cc(C)c(OC2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)cn1
BDBM50261471 Cn1nccc1NC(=O)C1CCN(CC1)c1c(cnc2ccc(F)cc12)C#N
BDBM50261472 COc1ccccc1CNC(=O)C1CCN(CC1)c1c(cnc2ccc(F)cc12)C#N
BDBM50261473 Fc1ccc2ncc(C#N)c(N3CCC(CC3)C(=O)N3CCSCC3)c2c1
BDBM50261474 Fc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3ccccc3)c2c1
BDBM50261475 Cc1ccc(OC2CCN(CC2)c2c(cnc3ccc(F)cc23)C#N)c(C)n1
BDBM50261476 Cc1ccc(OC2CCN(CC2)c2c(cnc3cc(F)c(F)cc23)C#N)cn1
BDBM50253068 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
BDBM50251208 CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|
BDBM50249401 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccccc3)c(N)c2c1C
BDBM50249405 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccc(F)nc3)c(N)c2c1C
BDBM50253071 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccccc3F)c(N)c2c1C
BDBM50253073 Cc1nnc2sc(C(=O)NC3CN(C3)c3cnccn3)c(N)c2c1C
BDBM50253074 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccccn3)c(N)c2c1C
BDBM50253080 Cc1nnc2sc(C(=O)NC3CN(C3)c3nc4cccnc4s3)c(N)c2c1C
BDBM50253081 Cc1nnc2sc(C(=O)NC3CN(C3)c3nc4ccccc4o3)c(N)c2c1C
BDBM50253082 Cc1nnc2sc(C(=O)NC3CN(C3)c3nc4ccccc4s3)c(N)c2c1C
BDBM50253083 Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)c3ccncc3)c(N)c2c1C
BDBM50253084 Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)c3ccccn3)c(N)c2c1C
BDBM50249402 COc1ncc(cn1)-c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
BDBM50249403 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C
BDBM50253085 Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)c3ccccc3)c(N)c2c1C
BDBM50253091 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(nc3)C(F)(F)F)c(N)c2c1C
BDBM50253092 Cc1nnc2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c2c1C
BDBM50253093 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c2c1C
BDBM50253094 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(F)cc3F)c(N)c2c1C
BDBM50253095 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c2c1C
BDBM50253096 COc1ccc(cc1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50253099 COc1cccc(c1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50249404 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccncc3F)c(N)c2c1C
BDBM50249432 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cncc(F)c3)c(N)c2c1C
BDBM50249433 Cc1cc(cnc1F)-c1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
BDBM50249434 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccnc(F)c3)c(N)c2c1C
BDBM50249435 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccncc3)c(N)c2c1C
BDBM50249436 Cc1nnc2sc(C(=O)NCc3ccccc3Br)c(N)c2c1C
BDBM50249437 Cc1nnc2sc(C(=O)NCc3cccc(Br)c3)c(N)c2c1C
BDBM50249438 Cc1nnc2sc(C(=O)NCc3ccc(Br)cc3)c(N)c2c1C
BDBM50253107 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccccc3)c(N)c2c1C
BDBM50253108 Cc1nnc2sc(C(=O)NC3CN(C3)c3cc(F)nc(F)c3)c(N)c2c1C
BDBM50253109 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccncc3Cl)c(N)c2c1C
BDBM50253110 COc1cc(ccn1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50253111 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccnc(Cl)c3)c(N)c2c1C
BDBM50253113 Cc1nnc2sc(C(=O)NC3CN(C3)c3cccnc3F)c(N)c2c1C
BDBM50253114 Cc1nnc2sc(C(=O)NC3CN(C3)c3ccncn3)c(N)c2c1C
BDBM50253115 Cc1nnc2sc(C(=O)NC3CN(C3)c3cncnc3)c(N)c2c1C
BDBM50249439 Cc1nnc2sc(C(=O)NCc3ccccc3-c3ccccc3)c(N)c2c1C
BDBM50249440 Cc1nnc2sc(C(=O)NCc3cccc(c3)-c3ccccc3)c(N)c2c1C
BDBM50249441 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3ccccn3)c(N)c2c1C
BDBM50249442 Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3)c(N)c2c1C
BDBM50253116 Cc1nnc2sc(C(=O)NC3CN(C3)c3cccnc3)c(N)c2c1C
BDBM50253124 Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)Nc3ccccc3)c(N)c2c1C
BDBM50253125 Cc1cccc(OC(=O)N2CC(C2)NC(=O)c2sc3nnc(C)c(C)c3c2N)c1
BDBM50253126 Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)Oc3ccccc3)c(N)c2c1C
BDBM50253127 Cc1nnc2sc(C(=O)NC3CN(C3)C(=O)OCc3ccccc3)c(N)c2c1C
BDBM50253128 Cc1nnc2sc(C(=O)NC3CN(C3)S(=O)(=O)c3ccccc3)c(N)c2c1C
BDBM50261477 Fc1ccc2ncc(C#N)c(N3CCC(CC3)Oc3ccc(nc3)C#N)c2c1
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
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
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
BDBM50268349 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1 |r|
BDBM50268350 Clc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCC1=O
BDBM50268351 C[C@H]1CCCCN1c1ccc(nc1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
BDBM50268352 C[C@H]1CCCCN1c1ccc(cn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
BDBM50268353 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2ncccc2c1 |r|
BDBM50268354 O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCCC1)c1ccc2OCOc2c1
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,)|
BDBM50268355 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1nccn1C |r|
BDBM50268356 CC1(C)CCCN(C1)c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
BDBM50268357 Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCCC1
BDBM50268359 C[C@H]1COCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
BDBM50268360 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F |r|
BDBM50268361 CC1(C)CCCN(C1)c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
BDBM50268362 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)C1CCCCC1 |r|
BDBM50268342 CC1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl
BDBM50268343 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
BDBM50268344 C[C@@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
BDBM50268345 C[C@H]1CCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|
BDBM50268346 C[C@H]1CCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
BDBM50268370 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C |r|
BDBM50268379 Clc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCCC1
BDBM50268385 COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC[C@@H]1C |r|
BDBM50268386 COc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC[C@@H]1C |r|
BDBM50268387 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM50268388 C[C@H]1CCCCN1c1cnc(cn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
BDBM50268389 C[C@H]1CCCCN1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
BDBM50268347 C[C@H]1CCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C |r|
BDBM50268348 Clc1ccccc1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCCC1
BDBM50268390 Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
BDBM50268391 O=S(=O)(N1CCN(CC1)c1ccc(nn1)N1CCCCCC1)c1ccc2OCOc2c1
BDBM50268392 C[C@H]1COCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1c(C)noc1C |r|
BDBM50268393 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1 |r|
BDBM50268394 C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
BDBM50268396 C[C@H]1COCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
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,)|
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,)|
BDBM50451542 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncc(Cl)cc1F
BDBM50451543 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncccc1Cl
BDBM50467780 CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
BDBM50451535 COc1cc(N2CC(C2)NC(=O)c2ccc3nc(C)cc(C)c3c2)c(Cl)cn1
BDBM50451536 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccnc(c1)C(F)(F)F
BDBM50451883 Cc1nnc2sc(C(=O)N3CC(C3)c3ccccc3)c(N)c2c1C
BDBM50451884 COc1ccc(cc1)C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50451885 Cc1nnc2sc(C(=O)N3CC(F)(C3)c3cccc(F)c3)c(N)c2c1C
BDBM50451886 CC1C(CN1C(=O)c1sc2nnc(C)c(C)c2c1N)c1ccccc1
BDBM50464171 Cn1cc(cn1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cn1
BDBM50451508 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1cccc(Cl)n1
BDBM50451511 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncc(F)cc1Cl
BDBM50451514 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50451516 COc1ccc(CNC(=O)c2ccc3nc(C)cc(C)c3c2)cc1F
BDBM50451521 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncc(F)cn1
BDBM50451522 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccc(cn1)C(F)(F)F
BDBM50451523 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncc(Cl)cc1Cl
BDBM50451525 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccnc(OC(F)F)c1
BDBM50451529 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccc(F)c(F)c1
BDBM50451532 CC(C)Oc1cnc(nc1)N1CC(C1)NC(=O)c1ccc2nc(C)cc(C)c2c1
BDBM50451533 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccc(nc1)C(F)(F)F
BDBM50451534 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccnc(F)c1F
BDBM50451537 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccc(Cl)cn1
BDBM50451538 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ncc(cn1)C(F)(F)F
BDBM50451544 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1cnc(cn1)C1CC1
BDBM50451545 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1cnc(cn1)C(F)(F)F
BDBM50451547 Cc1cc(cc(OC(F)F)n1)N1CC(C1)NC(=O)c1ccc2nc(C)cc(C)c2c1
BDBM50451548 Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1cc(Cl)nc(Cl)c1
BDBM50451549 COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
BDBM50458989 Cc1cc2C(=O)OCc2nc1N1CCC(CC1)Oc1cccc(c1)C#N
BDBM50458990 Cc1cc(nnc1N1CCC(CC1)Oc1ccc2OCCOc2c1)C(=O)NCc1ccncc1
BDBM50458991 Cc1c(Cl)nc(CO)nc1N1CC[C@@H](Oc2ccc3[nH]ncc3c2)[C@@H](F)C1 |r|
BDBM50458992 Cc1cc2CN(Cc2nc1N1CCC(CC1)Oc1ccccc1)S(C)(=O)=O
BDBM50458993 Cc1cc2c(cn[nH]c2=O)nc1N1CCC(CC1)OCC1(C)CC1
BDBM50458994 COc1ccc(OC2CCN(CC2)c2nc(CO)nc(Cl)c2C)cn1
BDBM50458995 COc1ccc(OC2CCN(CC2)c2nc3cn[nH]c(=O)c3cc2C)cn1
BDBM50458996 COc1ccc(OC2CCN(CC2)c2nc3[nH]c(=O)[nH]c(=O)c3cc2C)cn1
BDBM50458997 Cc1cn2c(n[nH]c2=O)nc1N1CCC(CC1)Oc1ccc2COCc2c1
BDBM50458998 Cc1cc2C(=O)NCc2nc1N1CCC(CC1)Oc1ccc2[nH]ncc2c1
BDBM50458999 COc1ccc(OC2CCN(CC2)c2nc3oc(=O)[nH]c(=O)c3c(Cl)c2C)cn1
BDBM50459000 Cc1cc2C(=O)NCc2nc1N1CC[C@@H](Oc2ccc3n(C)ncc3c2)[C@@H](F)C1 |r|
BDBM50451882 Cc1nnc2sc(C(=O)N3CC(C3)c3cccc(F)c3)c(N)c2c1C
BDBM50451887 Cc1nnc2sc(C(=O)N3CC(C3)c3cccs3)c(N)c2c1C
BDBM50451888 Cc1cccc(c1)C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50451889 Cc1ccc(cc1)C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50451890 COc1ccccc1C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50451891 Cc1nnc2sc(C(=O)N3CC(C3)c3ccc(F)cc3)c(N)c2c1C
BDBM50451892 Cc1nnc2sc(C(=O)N3CC(C3)c3ccc(Br)cc3)c(N)c2c1C
BDBM50451893 COC1(CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N)c1cccc(F)c1
BDBM50451894 CCCCC1(F)CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50451895 CC1C(CN1C(=O)c1sc2nnc(C)c(C)c2c1N)c1cccc(F)c1
BDBM50451896 Cc1nnc2sc(C(=O)N3CC(C3)C3CCCCC3)c(N)c2c1C
BDBM50451897 Cc1nnc2sc(C(=O)N3CC(O)(C3)c3ccccc3)c(N)c2c1C
BDBM50451898 Cc1nnc2sc(C(=O)N3CC4(C3)CCN(C4)c3cccnc3)c(N)c2c1C
BDBM50451899 Cc1nnc2sc(C(=O)N3CC(C3)c3ccccc3F)c(N)c2c1C
BDBM50451900 Cc1ccccc1C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50451901 COc1cccc(c1)C1CN(C1)C(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50451902 Cc1nnc2sc(C(=O)N3CC(C3)c3ccc(Cl)cc3)c(N)c2c1C
BDBM50451903 Cc1nnc2sc(C(=O)N3CC(F)(C3)c3ccccn3)c(N)c2c1C
BDBM50451904 Cc1nnc2sc(C(=O)N3CC(C)(F)C3)c(N)c2c1C
BDBM50370623 O=C(OCc1ccccc1)N1CCc2ccc(cc2C1)N1CCN(CC1)C1CCCC1
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|
BDBM50491119 CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1
BDBM50491120 [Br-].C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1
BDBM50491121 [Br-].CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
BDBM50491123 CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1
BDBM50491124 CCN(CC)CCOC(=O)C(O)(C1CCCCC1)c1cccs1
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
BDBM50491133 [Br-].CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
BDBM50493693 Cl.COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1
BDBM50493694 Cl.COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1F
BDBM50493695 Cl.Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1
BDBM50493696 Cl.Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)c(F)cc1F
BDBM50493697 Cl.COc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1
BDBM50493698 Cl.COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c(F)c1F
BDBM50493699 Cl.Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)cc(F)c1F
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
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|
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|
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|
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
BDBM50502350 CCCC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
BDBM50502352 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)C(=O)OCC(C)C
BDBM50502370 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)C(=O)OC(C)C
BDBM50502371 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1ncns1
BDBM502751 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(cc(n1)C#N)C#N
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|
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|
BDBM50511107 CC[C@]12CC(=O)N(Cc3cn(Cc4ccccc4)nn3)[C@@]11N(CCC2)CCc2c1[nH]c1ccccc21 |r|
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,)|
BDBM50518707 Cc1nnc2sc3c(NCc4ccc5OCCOc5c4)nn(C)c3c2c1C
BDBM50518708 Cc1nnc2sc3c(NCc4ccco4)nn(C)c3c2c1C
BDBM50518709 Cc1nnc2sc3c(NCC4CCCO4)nn(C)c3c2c1C
BDBM50518710 Cc1nc2sc3c(NCC4CC4)nn(C)c3c2c(C)c1Cl
BDBM50518713 Cc1cc(C)c2c(n1)sc1c(NCC3CC3)n[nH]c21
BDBM50518715 COc1ccc(CNc2n[nH]c3c2sc2nc(C)cc(C)c32)cc1
BDBM50518716 COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C)cc1F
BDBM50518717 CCc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50518720 COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1
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,)|
BDBM50518721 Cc1nnc2sc3c(NCc4ccc(c(F)c4)S(C)(=O)=O)nn(C)c3c2c1C
BDBM50518727 Cc1nc2sc3c(NCc4ccccc4)nn(C)c3c2c(C)c1Cl
BDBM50518728 Cc1cc(C)c2c(n1)sc1c(NCc3ccc(F)cc3)n[nH]c21
BDBM50518730 Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
BDBM50518705 Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
BDBM50518706 COc1ccc(CNC(=O)c2cc3c(C)cc(C)nc3s2)cc1
BDBM50521785 Cc1cc2nncn2c2sc(C(=O)NC3CC3)c(N)c12
BDBM50518702 Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl
BDBM50518722 CCc1c(sc2nnc(C)c(C)c12)C(=O)NCc1ccc(OC)c(F)c1
BDBM50518723 Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc2OCCc2c1
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|
BDBM50521769 Cc1cn2c(cc(C)c3c(N)c(sc23)C(=O)NC2Cc3ccccc3C2)n1
BDBM50521770 Cc1cn2c(cc(C)c3c(N)c(sc23)C(=O)NC2Cc3cccnc3C2)n1
BDBM50521772 COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2ncnn32)cc1
BDBM50521775 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NCc1ccc(cc1)S(=O)(=O)C(F)(F)F
BDBM50521779 Cc1cncc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
BDBM50521784 Cc1c(Cl)c2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
BDBM50521786 Cc1cc2nncn2c2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c12
BDBM50521788 Cc1cc2ncnn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
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|
BDBM50521791 Cc1cc2ncnn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
BDBM50521794 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1Cc2ccccc2C1
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
BDBM50521762 Cc1nnc2c(Cl)c(C)c3c(N)c(sc3n12)C(=O)NC1CC1
BDBM50521765 Cc1cc2nncn2c2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
BDBM50521766 Cc1cc2nncn2c2sc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12
BDBM50521767 Cc1cc2nccn2c2sc(C(=O)NC3CC3)c(N)c12
BDBM50521768 Cc1cc2nccn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
BDBM50521771 Cc1cn2c(cc(C)c3c(N)c(sc23)C(=O)N[C@H]2CCc3ccccc23)n1 |r|
BDBM50521773 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1Cc2cccnc2C1
BDBM50521774 COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nc(C)nn32)cc1F
BDBM50521776 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cc(Cl)nc(C)n1
BDBM50521777 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(nc1)C1CC1
BDBM50521778 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1nnc(o1)C1CC1
BDBM50521780 Cc1c(Cl)c2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12 |r|
BDBM50521787 Cc1cc2nccn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
BDBM50521790 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1nnc(o1)C(C)(C)C
BDBM50521792 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1ncc(cn1)C(F)(F)F
BDBM50521795 Cc1cc2nncn2c2sc(C(=O)NC3Cc4cccnc4C3)c(N)c12
BDBM50502347 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cncc(C)n1
BDBM50502349 CCNS(=O)(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
BDBM50502354 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cnc(C)cn1
BDBM50502355 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nccs1
BDBM50502357 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nsnc1C
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|
BDBM50502358 COc1nsnc1N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
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,)|
BDBM50502362 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nccnc1C
BDBM50502366 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nncs1
BDBM50502367 COc1cccnc1C1CCN(CC2CCN(CC2)c2cnccn2)CC1
BDBM50502368 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cccnn1
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,)|
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|
BDBM50502372 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1ccccn1
BDBM50521755 Cc1cc2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
BDBM50521763 Cc1nnc2c(Cl)c(C)c3c(N)c(sc3n12)C(=O)NC1Cc2ccccc2C1
BDBM50521764 Cc1cc2nncn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12 |r|
BDBM50502346 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1ncccn1
BDBM50502351 CCNC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
BDBM50502353 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cnccn1
BDBM50502356 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cnsn1
BDBM50502359 CCOC(=O)N1CCC(CN2CCC(CC2)c2ncccc2OC)CC1
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,)|
BDBM50502363 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cccnc1
BDBM50502365 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cncnc1
BDBM50502373 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nc(C)cs1
BDBM50503049 [H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|
BDBM50521756 COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nccn32)cc1
BDBM50521781 COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nncn32)cc1
BDBM50521789 COc1ccc(CNC(=O)c2sc3c(c2N)c(C)cc2nc(C)nn32)cc1
BDBM50521793 Cc1cc2nccn2c2sc(C(=O)N[C@H]3CCc4ccccc34)c(N)c12 |r|
BDBM50536639 Cc1nnc2sc(C(=O)c3ccccc3)c(N)c2c1C
BDBM50518703 Cc1nc2sc3c(NCc4ccc(F)cc4)nn(C)c3c2c(C)c1Cl
BDBM50518704 Cc1nnc2sc(C(=O)NC3COC3)c(C3CC3)c2c1C
BDBM50518711 COc1ccc(CNc2nn(C)c3c2sc2nc(C)c(Cl)c(C)c32)cc1
BDBM50518712 Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)n[nH]c21
BDBM50518714 Cc1cc(C)c2c(n1)sc1c(NCc3ccccc3)n[nH]c21
BDBM50518718 CSc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1
BDBM50518719 Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc2OCCOc2c1
BDBM50518724 Cc1nnc2sc3c(NCC4CC4)nn(C)c3c2c1C
BDBM50518725 COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C2CC2)cc1F
BDBM50518726 COc1ccc(CNc2nn(C)c3c2sc2nnc(C)c(C)c32)cc1
BDBM50518729 COc1ccc(CNC(=O)c2cc3c(C)c(C)nnc3s2)cc1F
BDBM50518731 Cc1cc(C)c2c(n1)sc1c(NCC3CCCC3)n[nH]c21
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|
BDBM50536606 Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccc(F)cc1F
BDBM50536607 Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccncc1
BDBM50536628 Cc1nnc2sc(C(O)c3cccnc3)c(N)c2c1C
BDBM50536629 Cc1nnc2sc(C(O)c3ccncc3)c(N)c2c1C
BDBM50536632 Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C
BDBM50536633 Nc1c(sc2nc(OCCN3CCOCC3)c3CCCc3c12)C(O)c1ccncc1
BDBM50536608 Cc1nc2sc(C(O)c3ccccc3)c(N)c2c(C)c1Cl
BDBM50536609 Nc1c(sc2nc(OCc3ccncc3)c3CCCc3c12)C(=O)c1ccncc1
BDBM50536610 Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccccc1
BDBM50536611 COc1ccc(cc1)C(=O)c1sc2nnc(C)c(C)c2c1N
BDBM50536612 Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccccc1
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|
BDBM50536613 COc1ccc(cc1)C(O)c1sc2nnc(C)c(C)c2c1N
BDBM50536614 COc1ccc(cc1)C(=O)c1sc2nc(C)cc(C)c2c1N
BDBM50536615 Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccc(O)cc1
BDBM50536616 Cc1cc(C)c2c(N)c(sc2n1)C(=O)c1ccc(F)c(Cl)c1
BDBM50536617 Cc1nc2sc(C(=O)c3cccnc3)c(N)c2c(C)c1Cl
BDBM50536618 Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C
BDBM50536619 Nc1c(sc2nc(O)c3CCCCc3c12)C(=O)c1ccncc1
BDBM50536620 Nc1c(sc2nc(OCCN3CCOCC3)c3CCCc3c12)C(=O)c1ccncc1
BDBM50536621 Cc1cc(C)c2c(N)c(sc2n1)C(=O)CCc1ccncc1
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
BDBM50536622 COc1ccc(CCC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
BDBM50536623 COc1ccc(cc1)C(O)c1sc2nc(C)cc(C)c2c1N
BDBM50536624 Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccc(F)c(Cl)c1
BDBM50536625 Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccc(F)cc1F
BDBM50536626 Cc1nc2sc(C(O)c3cccnc3)c(N)c2c(C)c1Cl
BDBM50536627 Cc1nnc2sc(C(O)c3ccccc3)c(N)c2c1C
BDBM50536630 Nc1c(sc2nc(O)c3CCCCc3c12)C(O)c1ccncc1
BDBM50536631 Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C
BDBM50536634 Cc1nnc2sc(C(O)c3ccc(F)cc3F)c(N)c2c1C
BDBM50536635 Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccncc1
BDBM50536636 Cc1nnc2sc(C(=O)c3ccc(F)cc3F)c(N)c2c1C
BDBM50536637 Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1Cl
BDBM50536638 Nc1c(sc2nc(OCc3ccncc3)c3CCCc3c12)C(O)c1ccncc1
BDBM50536640 Cc1cc(C)c2c(N)c(sc2n1)C(O)c1ccc(O)cc1
BDBM50521757 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)N[C@H]1CCc2ccccc12 |r|
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
BDBM50521760 Cc1c[nH]c(=O)c2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(N)c12
BDBM50521761 Cc1c(Cl)c2nncn2c2sc(C(=O)NC3CC3)c(N)c12
BDBM50521782 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cc(ncc1Cl)C(F)(F)F
BDBM50521783 Cc1nc2cc(C)c3c(N)c(sc3n2n1)C(=O)NC1CN(C1)c1cnc(Cl)cn1
BDBM50502364 COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1ccncc1
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|
BDBM50579881 Cc1cc(C)c2c(n1)sc1c(NC3CCC3)ncnc21
BDBM50579896 Cc1cc(C)c2c(n1)sc1c(nccc21)N1CCCC1
BDBM50579872 Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3F)C(C)(C)O)ncnc21
BDBM50579873 Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3)S(C)(=O)=O)ncnc21
BDBM50539742 Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12
BDBM50539000 COc1cc(N2CC(C2)NC(=O)c2ccc3nn(C)c(C)c3c2N)c(Cl)cn1
BDBM50539001 Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ncc(cc3Cl)C#N)c(N)c12
BDBM50539002 Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ncc(Cl)cc3F)c(N)c12
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|
BDBM502692 C[C@@H]1CN(CCN1C(=O)N(C)CCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
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|
BDBM50539011 Cn1nnc2ccc(C(=O)NC3CN(C3)c3ncc(cc3Cl)C#N)c(N)c12
BDBM50539012 Cn1nnc2ccc(C(=O)NC3CN(C3)c3ccnc(c3)C(F)(F)F)c(N)c12
BDBM50539013 Cn1nnc2ccc(C(=O)NC3CN(C3)c3ccc(cn3)C#N)c(N)c12
BDBM50539014 Cn1nnc2ccc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12
BDBM50539015 Cn1nnc2ccc(C(=O)NC3CN(C3)c3ncc(F)cc3Cl)c(N)c12
BDBM50539016 Cn1nnc2ccc(C(=O)NC3CN(C3)c3cccc(Cl)n3)c(N)c12
BDBM50539017 Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(=O)NCC(C)(C)C)ncnc3c12
BDBM50539018 [2H]C([2H])(Nc1ncnc2c3c(C)n(C)nc3ccc12)c1ccc(cc1)C(C)(C)O
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|
BDBM50539022 Cc1n(C)nc2ccc3c(NC4CCCC4)ncnc3c12
BDBM50539023 Cc1n(C)nc2ccc3c(ncnc3c12)N1CCCC1
BDBM50539024 Cc1n(C)nc2ccc3c(NCc4ccc(F)c(F)c4)ncnc3c12
BDBM50539025 Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12
BDBM50539026 Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3cccc(Cl)n3)c(N)c12
BDBM50539027 Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ncccc3F)c(N)c12
BDBM50539028 Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ncc(F)cn3)c(N)c12
BDBM50538965 Cc1nn(C)c2cnc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538966 Cc1n(C)nc2cnc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538967 Cc1nc2ccc(cn2c1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538968 Cc1nc2cnc(cn2c1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538998 Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3cc(Cl)ncc3Cl)c(N)c12
BDBM50538999 Cc1n(C)nc2ccc(C(=O)NC3CN(C3)c3ccc(nc3)C(F)(F)F)c(N)c12
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|
BDBM50539019 Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c12
BDBM50539020 Cc1n(C)nc2ccc3c(ncnc3c12)N1CC2(COC2)C1
BDBM50539021 Cc1n(C)nc2ccc3c(CC(C)(C)C)ncnc3c12
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
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|
BDBM50538958 Cc1nc2cc(ccc2s1)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538959 Cc1nnc2ccc(cn12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538960 Cc1nc2ncc(cn2c1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538961 Cc1nn(C)c2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538962 Cc1nc2ccc(cc2n1C)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538963 Cn1c(nc2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl)C(F)(F)F
BDBM50538964 Cc1n(C)nc2cc(ccc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538969 Cc1n(C)nc2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538970 Cc1n(C)nc2cc(F)c(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538971 Cc1n(C)nc2c(F)c(F)c(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
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|
BDBM50538972 CCc1n(C)nc2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538973 Cn1nnc2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
BDBM50538974 COc1cc(N2CC(C2)NC(=O)c2ccc3nnc(C)n3c2)c(Cl)cn1
BDBM50538975 COc1cc(N2CC(C2)NC(=O)c2cnc3nc(C)c(C)n3c2)c(Cl)cn1
BDBM50538976 COc1cc(N2CC(C2)NC(=O)c2ccc3nc(C)n(C)c3c2)c(Cl)cn1
BDBM50538977 COc1cc(N2CC(C2)NC(=O)c2ccc3nc(n(C)c3c2)C(F)(F)F)c(Cl)cn1
BDBM50538978 COc1cc(N2CC(C2)NC(=O)c2ccc3c(C)n(C)nc3c2)c(Cl)cn1
BDBM50538979 COc1cc(N2CC(C2)NC(=O)c2cc3c(C)nn(C)c3cn2)c(Cl)cn1
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|
BDBM50538980 COc1cc(N2CC(C2)NC(=O)c2cc3c(C)n(C)nc3cn2)c(Cl)cn1
BDBM50538981 COc1cc(N2CC(C2)NC(=O)c2ccc3nc(C)c(C)n3c2)c(Cl)cn1
BDBM50538982 COc1cc(N2CC(C2)NC(=O)c2cn3c(C)c(C)nc3cn2)c(Cl)cn1
BDBM50538993 Cc1n(C)nc2ccc3c(NC4CN(C4)c4cc(Cl)ncc4Cl)ncnc3c12
BDBM50538994 COc1cc(N2CC(C2)Nc2ncnc3c4c(C)n(C)nc4ccc23)c(Cl)cn1
BDBM50538995 Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(=O)NC4CCCC4)ncnc3c12
BDBM50538996 Cc1n(C)nc2ccc3c(NCc4ccc(cc4)C(=O)NC4CCC4)ncnc3c12
BDBM50538997 COc1ccc(CNc2ncnc3c4c(C)n(C)nc4ccc23)cc1F
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|
BDBM50539003 Cn1nnc2ccc3c(NC4CN(C4)c4cc(Cl)ncc4Cl)ncnc3c12
BDBM50539004 COc1ccc(CNc2ncnc3c4n(C)nnc4ccc23)cc1F
BDBM50539005 Cn1nnc2ccc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c12
BDBM50539006 Cn1nnc2ccc3c(NC4CCCC4)ncnc3c12
BDBM50539007 COc1cc(N2CC(C2)Nc2ncnc3c4n(C)nnc4ccc23)c(Cl)cn1
BDBM50539008 Cn1nnc2ccc(C(=O)NC3CN(C3)c3cc(Cl)ncc3Cl)c(N)c12
BDBM50539009 Cn1nnc2ccc(C(=O)NC3CN(C3)c3ncc(Cl)cc3F)c(N)c12
BDBM50539010 COc1cc(N2CC(C2)NC(=O)c2ccc3nnn(C)c3c2N)c(Cl)cn1
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
BDBM502690 C[C@@H]1CN(CCN1C(=O)NC[C@@H](CC([O-])=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
BDBM502691 C[C@@H]1CN(CCN1C(=O)N(C)C[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(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
BDBM502695 CO[C@H](CNC(=O)N1CCN(C[C@H]1C)c1ccc(F)c(c1)C#N)C1CCN(Cc2ccccc2)CC1
BDBM502696 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(I)cc2)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
BDBM502706 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nccc(n1)C#N
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
BDBM502759 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM502760 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)cc1F
BDBM502761 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1F
BDBM502762 COc1cccc(n1)N1CCN([C@H](C)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
BDBM502811 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(n1)N(C)C
BDBM502817 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)cn1
BDBM502818 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)cn1
BDBM502820 CNc1nc(ncc1C#N)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502866 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2OC(F)(F)F)CC1)c1cc(F)c(F)c(F)c1
BDBM502867 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(F)c(F)c2F)CC1)c1cc(F)c(F)c(F)c1
BDBM502868 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cc(F)cc(F)c2)CC1)c1cc(F)c(F)c(F)c1
BDBM502869 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502870 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cc(F)ccc2F)CC1)c1cc(F)c(F)c(F)c1
BDBM502871 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccs2)CC1)c1cc(F)c(F)c(F)c1
BDBM502913 COc1cccc(CN2CCC(CCNC(=O)N3[C@@H](C)CN(C[C@H]3C)c3ncc(cn3)C#N)CC2)c1
BDBM502914 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3occc3c2)CC1)c1ncc(cn1)C#N
BDBM502915 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2cccnc2)CC1)c1ncc(cn1)C#N
BDBM502916 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccncc2)CC1)c1ncc(cn1)C#N
BDBM502918 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(cc2)B(O)O)CC1)c1ncc(cn1)C#N
BDBM502919 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2cccnc2F)CC1)c1ncc(cn1)C#N
BDBM502920 COc1ccc(CN2CCC(CCNC(=O)N3[C@@H](C)CN(C[C@H]3C)c3ncc(cn3)C#N)CC2)cc1
BDBM502954 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)c1nc2ccccc2s1
BDBM502955 FC(F)(F)c1cnc(N2CCN(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(Cl)c1
BDBM502956 CN(C1CCN(C1)c1ncc(cc1Cl)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502957 FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502958 Fc1cc(cc(c1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
BDBM502959 OC1(CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(c1)C(F)(F)F
BDBM502960 Fc1ccc(cc1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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
BDBM502711 C[C@@H]1CN(CCN1C(=O)NCCC1(CO)CCN(Cc2ccccc2)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
BDBM502737 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cncc(c1)C#N
BDBM502738 C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502739 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C#N
BDBM502742 COc1nc(ncc1F)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502743 COc1ccc(cc1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502744 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
BDBM502766 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)c(n1)C#N
BDBM502767 COc1ccc(cc1)N1CCN(CC1C)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502768 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(OC(F)(F)F)c(F)c1
BDBM502769 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cncc(F)c1
BDBM502770 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccccn1
BDBM502771 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cncc(C)c1
BDBM502772 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncccn1
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
BDBM502832 OC[C@@H]1CN(CCN1c1ncc(cn1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502833 OC[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
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
BDBM502877 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2c(F)cccc2F)CC1)c1cc(F)c(F)c(F)c1
BDBM502878 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2C#N)CC1)c1cc(F)c(F)c(F)c1
BDBM502879 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(cc2F)C#N)CC1)c1cc(F)c(F)c(F)c1
BDBM502880 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccncc2)CC1)c1ncc(cn1)C(F)(F)F
BDBM502881 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccnc2)CC1)c1ncc(cn1)C(F)(F)F
BDBM502882 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccn2)CC1)c1ncc(cn1)C(F)(F)F
BDBM502921 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3n(C)nnc3c2)CC1)c1ncc(cn1)C#N
BDBM502922 COc1ccccc1CN1CCC(CCNC(=O)N2[C@@H](C)CN(C[C@H]2C)c2ncc(cn2)C#N)CC1
BDBM502923 C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502924 C[C@@H]1CN(CCN1C(=O)NCCC1(CO)CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N
BDBM502925 C[C@@H]1CN(CCN1C(=O)NCCN1CCN(CC1)c1ccccc1)c1ccc(OC(F)(F)F)c(c1)C#N
BDBM502926 C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)cc(c1)C#N
BDBM502928 C[C@@H]1CN(CCN1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)c(F)c(F)c1
BDBM502961 CN(C1CCN(C1)c1ccc(cc1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502962 Fc1ccc(cc1C#N)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502963 OC1(CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1
BDBM502964 COc1ccc(cc1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502965 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1cccc(c1)C#N
BDBM502966 Fc1cccc(c1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502967 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ccc(cc1)C#N
BDBM502990 FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502991 O=C(N(C1CC1)C1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccccc1
BDBM502992 OCCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
BDBM502993 Cc1nc(sc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)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
BDBM503017 Fc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCN[C@@H]1CCN(Cc2ccccc2)C1
BDBM503018 O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1ccc(cc1)C#N
BDBM503019 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1ccc(cc1)C#N
BDBM503020 CN(CCNC(=O)C1CCN(CC1)c1cccc(OC(F)(F)F)c1)[C@H]1CCN(Cc2ccccc2)C1
BDBM503021 Cc1nc(sc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(cc1)C(F)(F)F
BDBM503022 CN([C@@H]1CCN(Cc2ccccc2)C1)C1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
BDBM503023 CN(CCC1CCN(CC1)c1ccccc1)C(=O)C1CCN(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
BDBM503054 FC(F)(F)c1cnc(N2CCC(CC2)C(=O)NCC2CCN(Cc3ccccc3)CC2)c(Cl)c1
BDBM503055 FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1
BDBM503056 Cc1cc(Cl)c(cn1)-c1cc(ccc1Cl)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503057 FC(F)(F)Oc1ccc(cc1)-c1cn2ccc(cc2n1)C(=O)NCCN1CCC(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
BDBM503088 FC(F)(F)c1ccc(nc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503089 CC1(CCN(CC1)c1cccc(OC(F)(F)F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503090 FC(F)(F)Oc1cccc(c1)N1CCC(CNC(=O)CC2CCN(Cc3ccccc3)CC2)CC1
BDBM503091 Clc1ccc(cn1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503092 COc1ccc(nc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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
BDBM503123 Fc1ccccc1N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503124 COc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503125 OC1(CCN(CC1)c1ccc(OC(F)(F)F)cn1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503126 OC1(CCN(CC1)c1cccc(OC(F)(F)F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503127 COC1(CCN(CC1)c1ccc(OC(F)(F)F)cn1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503156 FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2csnn2)CC1
BDBM503157 OCC(N1CCC(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1
BDBM503158 Oc1cccc(CN2CCC(CCNC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1
BDBM503159 CC(N1CCC(CCNC(=O)c2ccc(OCc3ccccc3)cc2)CC1)c1ccccc1
BDBM503160 Cn1cccc1CN1CCC(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CC1
BDBM503161 O=C(NCCC1CCN(Cc2cccc3OCCOc23)CC1)C1CCN(CC1)c1ccc(cn1)C#N
BDBM503162 Oc1ccc(CN2CCC(CCNC(=O)C3CCN(CC3)c3ccc(cn3)C#N)CC2)cc1
BDBM503195 Cc1c(cnc2cc(nn12)-c1ccc(cc1)C(F)(F)F)C(=O)NCCC1CCN(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
BDBM502716 COc1ccnc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502717 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(C)c1
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
BDBM502720 COc1cccnc1N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502745 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C#N
BDBM502746 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1F
BDBM502747 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(nc1)C(F)(F)F
BDBM502748 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)nc1
BDBM502749 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)cc1F
BDBM502750 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1F
BDBM502773 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(c1)C#N
BDBM502775 COc1ccc(cc1F)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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
BDBM502783 Fc1cc(cc(F)c1F)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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
BDBM502840 Nc1nc(ncc1Cl)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502841 Nc1nc(ncc1F)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502844 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cc(F)c(F)c(F)c1
BDBM502883 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2C#N)CC1)c1ncc(cn1)C(F)(F)F
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
BDBM502887 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2F)CC1)c1ncc(cn1)C(F)(F)F
BDBM502888 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cncnc2)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
BDBM502929 C[C@@H]1CN(CCN1C(=O)NCCN1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502931 C[C@@H]1CN(CCN1C(=O)NCCN1CCC(O)(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1
BDBM502932 C[C@@H]1CN(CCN1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1)c1cc(F)cc(c1)C#N
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
BDBM502968 Oc1cccc(c1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502969 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ncccn1
BDBM502970 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)c1c[nH]c2ccccc12
BDBM502971 CC(C)c1noc(n1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502972 Fc1ccccc1C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502973 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)(C#N)c1ccccc1
BDBM502974 Fc1ccccc1N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502999 C[C@@H]1CN(CCN1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)c(c1)C#N
BDBM503000 OCC1(CCNC(=O)C2CCN(CC2)c2cccc(OC(F)(F)F)c2)CCN(Cc2ccccc2)CC1
BDBM503001 Fc1cc(ccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1
BDBM503002 OCC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CCN(Cc2ccccc2)CC1
BDBM503003 COC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503024 CN(CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)c(F)c1)C1CN(CC1CO)c1ccccc1
BDBM503025 FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)NC(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM503026 Brc1cnc(nc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503027 CN(CCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1
BDBM503028 CN(CCNC(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1
BDBM503029 Cc1ccc(cc1)-c1ccc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(F)c1
BDBM503030 Fc1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503058 Oc1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503062 Fc1ccc(cc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503063 Cc1nc(cn1-c1ccc(cn1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503064 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cn(cn1)-c1ccc(cn1)C#N
BDBM503093 COc1cc(OC(F)(F)F)cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503094 FC(F)(F)c1ccnc(n1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503095 CC1(CCN(CC1)c1ccc(OC(F)(F)F)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503096 FC(F)(F)c1ccnc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503097 COc1ccc(cc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503098 FC(F)(F)Oc1ccc(cn1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503099 Fc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503128 OC1(CCN(CC1)c1cc(F)ccc1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503129 CS(=O)(=O)c1cccc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503130 O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1cc(ccn1)C#N
BDBM503131 O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1ccccc1C#N
BDBM503132 FC(F)(F)c1ccc(cn1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503133 Fc1ccc(N2CCC(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(c1)C#N
BDBM503134 FC(F)(F)Oc1ccccc1N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503163 O=C(NCCC1CCN(Cc2cccc3OCCOc23)CC1)c1ccc(Oc2ccccc2)cc1
BDBM503164 CC(C)CCN1CCC(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CC1
BDBM503165 O=C(NCCC1CCN(Cc2cccnc2)CC1)c1ccc(OCc2ccccc2)cc1
BDBM503166 FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(CC2CCCCC2)CC1
BDBM503167 FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1
BDBM503168 OC(CNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1)C1CCN(CC2CCCCC2)CC1
BDBM503169 Fc1cccc(CN2CCC(CCNC(=O)c3ccc(OCc4ccccc4)cc3)CC2)c1
BDBM503191 Cc1c(cnc2cc(nn12)-c1ccc(Cl)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
BDBM503194 Cc1c(cnc2cc(nn12)-c1cccs1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503196 Cc1c(cnc2cc(nn12)-c1ccc(F)cc1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503216 Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2cccnc2)CC1
BDBM503217 Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCCC1CCN(Cc2cccc3OCCOc23)CC1
BDBM503218 Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(CC2CCCCC2)CC1
BDBM503219 Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCCC1CCN(Cc2ccccc2O)CC1
BDBM503220 Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccncc2)CC1
BDBM503221 Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccn2)CC1
BDBM503249 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)cc1F
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
BDBM503254 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)nc1
BDBM503255 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(C#N)c(F)c1
BDBM503284 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC1)c1ccccc1)c1ncc(cn1)C(=O)N1CCCC1
BDBM503285 CC(C)N(C)C(=O)c1cnc(nc1)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503286 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(=O)NCC=C
BDBM503287 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC1)c1ccccc1)c1ncc(cn1)C(=O)NCC1CC1
BDBM503288 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(=O)NC1CCC1
BDBM503289 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC1)c1ccccc1)c1ncc(cn1)C(=O)NCCF
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
BDBM502789 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cc1F)C#N
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
BDBM502847 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1cc(F)c(F)c(F)c1
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
BDBM502850 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2F)CC1)c1cc(F)c(F)c(F)c1
BDBM502851 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(CC2CCCCC2)CC1)c1cc(F)c(F)c(F)c1
BDBM502852 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccn2)CC1)c1cc(F)c(F)c(F)c1
BDBM502853 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2csnn2)CC1)c1cc(F)c(F)c(F)c1
BDBM502890 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(cc2)C#N)CC1)c1ncc(cn1)C(F)(F)F
BDBM502891 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1)c1ncc(cn1)C#N
BDBM502893 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(cc2)N(C)C)CC1)c1ncc(cn1)C#N
BDBM502894 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CCc2ccccc2)CC1)c1ncc(cn1)C#N
BDBM502895 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(cc2)C#N)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
BDBM502940 C[C@@H]1CN(CCN1C(=O)NCCN(C)[C@@H]1C[C@H](CO)N(Cc2ccccc2)C1)c1cc(F)c(F)c(F)c1
BDBM502941 FC(F)(F)c1ccc(cc1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502942 FC(F)(F)Oc1cccc(c1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502943 FC(F)(F)c1cccc(c1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502944 Clc1ccc(cc1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502945 COc1cccc(c1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502946 COc1ccccc1C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502975 Fc1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502976 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502977 CCN1CCN(CC1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502978 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)c1ccccc1
BDBM502979 Fc1ccc(cc1)N1CCC(CC1)NC(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502980 O=C(NCCC1CCN(Cc2ccccc2)CC1)NC1CCN(CC1)c1cccc(c1)C#N
BDBM502981 O=C(NCCC1CCN(Cc2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1
BDBM503004 O[C@@H](CNC(=O)C1CCN(CC1)c1ccc(F)c(c1)C#N)C1CCN(Cc2ccccc2)CC1
BDBM503005 FC(F)(F)c1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503006 CN(CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1)[C@H]1CCN(Cc2ccccc2)C1
BDBM503007 CN([C@@H]1CCN(C1)C1CCCCC1)C(=O)c1ccc(Cl)c(c1)-c1nc2ccccc2cc1C#N
BDBM503008 OC1(Cc2ccccc2)CCN(CCNC(=O)c2ccn3cc(nc3c2)-c2ccc(OC(F)(F)F)cc2)CC1
BDBM503009 Cc1cc(Cl)c(cn1)-c1cc(ccc1Cl)C(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1
BDBM503010 FC(F)(F)c1cnc(N2CCC(CC2)C(=O)N2CCN(CC2)C2CCN(Cc3ccccc3)CC2)c(Cl)c1
BDBM503031 CN(CCC1CC[N+](C)(Cc2ccccc2)CC1)C(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1 |(-.03,-7.62,;-1.02,-8.8,;-.49,-10.25,;1.02,-10.51,;1.55,-11.96,;.56,-13.14,;1.09,-14.59,;2.6,-14.85,;2.08,-16.3,;3.94,-15.62,;3.94,-17.16,;5.27,-17.93,;5.27,-19.47,;3.94,-20.24,;2.6,-19.47,;2.6,-17.93,;3.59,-13.67,;3.07,-12.23,;-2.54,-8.53,;-3.53,-9.71,;-3.06,-7.08,;-4.58,-6.82,;-5.11,-5.37,;-4.12,-4.19,;-2.6,-4.46,;-2.07,-5.9,;-4.64,-2.74,;-6.16,-2.47,;-6.69,-1.03,;-5.7,.15,;-6.22,1.6,;-7.74,1.87,;-9.26,2.13,;-7.47,3.38,;-8.01,.35,;-4.18,-.12,;-3.65,-1.56,)|
BDBM503032 O=C(Cc1ccc(OCc2ccccc2)cc1)NCCC1CCN(Cc2ccccc2)CC1
BDBM503033 OC1(CCNC(=O)C2CCN(CC2)c2ccc(F)c(c2)C#N)CCN(Cc2ccccc2)CC1
BDBM503034 CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503035 OC1(CCNC(=O)C2CCN(CC2)c2cccc(OC(F)(F)F)c2)CCN(Cc2ccccc2)CC1
BDBM503036 O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1ccc(cn1)C#N
BDBM503065 FC(F)(F)Oc1ccc(nc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503066 COc1ccc(cc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503067 O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1ccccc1
BDBM503068 CC1(CCN(CC1)c1ccccc1OC(F)(F)F)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
BDBM503100 OC1(CCN(CC1)c1ccc(OC(F)(F)F)c(c1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503101 Fc1cc(OC(F)(F)F)ccc1N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503102 COC1(CCN(CC1)c1ccc(OC(F)(F)F)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503103 COc1ccc(cc1F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503104 OC1(CCN(CC1)c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503105 OC1(CCN(CC1)c1ccc(OC(F)(F)F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503135 FC(F)(F)Oc1ccc(cc1)N1CC[C@@H](C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503136 FC(F)(F)Oc1ccc(cc1)N1CC[C@H](C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503137 Fc1ccc(nc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503138 Cc1cc(C)nc(n1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503139 COC1(CCN(CC1)c1ccccc1OC(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503140 FC(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503141 O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1cccc(c1)C#N
BDBM503172 CC(C)(C)CN1CCC(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CC1
BDBM503173 O=C(NCCC1CCN(CCCc2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1
BDBM503174 FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2cccc3CCOc23)CC1
BDBM503175 COc1cccc(CN2CCC(CCNC(=O)C3CCN(CC3)c3ccc(OC(F)(F)F)cc3)CC2)n1
BDBM503176 FC(F)(F)Oc1ccc(cc1)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1
BDBM503197 Cc1c(cnc2cc(nn12)-c1ccccn1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503198 Cc1c(cnc2cc(nn12)-c1ccc(cc1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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
BDBM503201 Cc1c(cnc2cc(nn12)-c1cccc(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503202 Cc1c(cnc2cc(nn12)-c1cccc(F)c1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503203 Cc1c(cnc2cc(nn12)-c1cccc(c1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503222 COc1cccc(CN2CCC(CCNC(=O)c3cnc4cc(nn4c3C)-c3ccccc3)CC2)c1
BDBM503223 Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1
BDBM503224 C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
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
BDBM503227 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC2CCCCC2)CC1)c1ncc(cn1)C#N
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
BDBM503259 COc1cc(ccn1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503260 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(OC(F)(F)F)c1
BDBM503261 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccnc(F)c1
BDBM503262 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cncnc1
BDBM503290 CCC(C)NC(=O)c1cnc(nc1)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503291 CCN(C)C(=O)c1cnc(nc1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503292 CNC(=O)c1cnc(nc1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503293 CC(C)CNC(=O)c1cc(C)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503294 CC(C)CNC(=O)c1cnc(nc1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503295 CC(C)NC(=O)c1cc(C)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502982 COc1ccccc1C1(O)CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502983 Cc1ccc(N2CCN(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(CO)c1
BDBM502984 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
BDBM502986 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1ccc(cn1)C#N
BDBM502987 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)n1nnc2ccccc12
BDBM502988 Clc1cccnc1N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502989 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1C2CCC1CN(C2)c1ncc(cn1)C#N |THB:26:24:18:20.21|
BDBM503011 CN(CCNC(=O)C1CCN(CC1)c1cccc(OC(F)(F)F)c1)[C@@H]1CCN(Cc2ccccc2)C1
BDBM503012 CN(C1CCN(C1)C1CCN(Cc2ccccc2)CC1)C(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
BDBM503013 OCC1(CCNC(=O)C2CCN(CC2)c2ccc(F)c(c2)C#N)CCN(Cc2ccccc2)CC1
BDBM503014 FC(F)(F)Oc1ccc(cc1)-c1cn2ccc(cc2n1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503015 CN(CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1
BDBM503016 OC1CN(Cc2ccccc2)CCC1CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1
BDBM503037 FC(F)(F)Oc1ccc(cc1)-c1cn2ccc(cc2n1)C(=O)N(C1CC1)C1CCN(Cc2ccccc2)CC1
BDBM503038 FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1
BDBM503039 FC(F)(F)Oc1cccc(c1)N1CCC(CC1)NC(=O)CCC1CCN(Cc2ccccc2)CC1
BDBM503040 COc1ccc(cc1)-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1
BDBM503041 Cc1ccnc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503042 O=C(N(C1CC1)C1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1cccs1
BDBM503043 FC(F)(F)Oc1cccc(c1)N1CCC(CC1)C(=O)NCCN[C@@H]1CCN(Cc2ccccc2)C1
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
BDBM503109 FC1(F)Oc2cccc(N3CCC(CC3)C(=O)NCCC3CCN(Cc4ccccc4)CC3)c2O1
BDBM503110 OC1(CCN(CC1)c1cc(OC(F)(F)F)cc(c1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503111 COC1(CCN(CC1)c1cc(ccn1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503112 COC1(CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503113 FC(F)(F)Oc1cccc(c1)N1CC[C@H](C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503142 Fc1cc(ccc1C#N)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
BDBM503146 Oc1ccc(CN2CCC(CCNC(=O)C3CCN(CC3)c3ccc(OC(F)(F)F)cc3)CC2)cc1
BDBM503147 Fc1ncccc1CN1CCC(CCNC(=O)c2ccc(Oc3ccccc3)cc2)CC1
BDBM503148 Oc1ccccc1CN1CCC(CCNC(=O)c2ccc(OCc3ccccc3)cc2)CC1
BDBM503177 O=C(OCCC1CCN(Cc2ccccc2)CC1)N1CCN(CC1)c1cccc(c1)C#N
BDBM503178 Fc1ccc(cc1)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1
BDBM503179 FC(F)(F)Oc1cccc(c1)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1
BDBM503180 O=C(NC1CCN(CC1)c1cccc(c1)C#N)OCCC1CCN(Cc2ccccc2)CC1
BDBM503181 Fc1ccc(cc1)N1CCC(CC1)NC(=O)OCCC1CCN(Cc2ccccc2)CC1
BDBM503182 OC1(CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
BDBM503183 O=C(OCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)c1ccccc1
BDBM503204 COc1ccccc1-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1
BDBM503205 Cc1c(cnc2cc(nn12)-c1cc(F)ccc1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503206 Cc1c(cnc2cc(nn12)-c1ccccc1C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503207 Cc1c(cnc2cc(nn12)-c1ccc(C#N)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503209 COc1ncccc1-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1
BDBM503229 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccn2)CC1)c1ncc(cn1)C#N
BDBM503230 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC1)C1Cc2ccccc2C1)c1ncc(cn1)C#N
BDBM503231 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC2CCC2)CC1)c1ncc(cn1)C#N
BDBM503232 CC(C)CN1CCC(CCNC(=O)N2[C@@H](C)CN(C[C@H]2C)c2ncc(cn2)C#N)CC1
BDBM503233 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC[Si](C)(C)C)CC1)c1ncc(cn1)C#N
BDBM503234 CC(C)CCN1CCC(CCNC(=O)N2[C@@H](C)CN(C[C@H]2C)c2ncc(cn2)C#N)CC1
BDBM503235 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC2CCCCO2)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
BDBM503267 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(c1)N(C)C
BDBM503268 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C#N
BDBM503269 COc1cc(ccc1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503296 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(C)cc(n1)C(=O)NC1CC1
BDBM503297 CC(C)NC(=O)c1cnc(nc1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503298 CCNC(=O)c1cnc(nc1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503299 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(=O)N(C)C
BDBM503300 CCN(C)C(=O)c1cc(C)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503301 CCNC(=O)c1cc(C)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503114 Fc1cc(ccc1N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
BDBM503115 OC1(CCN(CC1)c1ccc(F)c(c1)C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503116 FC(F)(F)Oc1cccc(c1)N1CC[C@@H](C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503117 COc1cccc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503118 COc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
BDBM503119 FC(F)(F)Oc1ccc(cc1)N1CCC(F)(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503120 Cc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503149 Cc1nc(CN2CCC(CCNC(=O)C3CCN(CC3)c3ccc(OC(F)(F)F)cc3)CC2)cs1
BDBM503150 Oc1ccccc1CN1CCC(CCNC(=O)c2ccc(Oc3ccccc3)cc2)CC1
BDBM503151 COC(=O)C(N1CCC(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1
BDBM503152 O=C(NCCC1CCN(Cc2cccc3OCCOc23)CC1)c1ccc(OCc2ccccc2)cc1
BDBM503153 O=C(NCCC1CCN(CC2CCCCC2)CC1)C1CCN(CC1)c1ccc(cn1)C#N
BDBM503154 COc1cccc(CN2CCC(CCNC(=O)c3ccc(OCc4ccccc4)cc3)CC2)c1O
BDBM503155 Oc1ccc(CN2CCC(CCNC(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1
BDBM503184 Fc1cc(cc(c1)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1)C#N
BDBM503185 Fc1ccc(cc1C#N)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1
BDBM503186 FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)NC(=O)OCCC1CCN(Cc2ccccc2)CC1
BDBM503187 Fc1cc(cc(F)c1F)N1CCN(CC1)C(=O)OCCC1CCN(Cc2ccccc2)CC1
BDBM503188 Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503189 Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503190 Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1
BDBM503210 Cc1c(cnc2cc(nn12)-c1ccc(F)nc1)C(=O)NCCC1CCN(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
BDBM503213 Cc1c(cnc2cc(nn12)-c1cccnc1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503214 COc1cc(C)c(cn1)-c1cc2ncc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(C)n2n1
BDBM503215 Cc1c(cnc2cc(nn12)-c1ccnc(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503236 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC2(C)COC2)CC1)c1ncc(cn1)C#N
BDBM503237 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC2CCCS(=O)(=O)C2)CC1)c1ncc(cn1)C#N
BDBM503238 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC23CC(C2)C3)CC1)c1ncc(cn1)C#N
BDBM503239 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC23C4C5C6C4C2C6C35)CC1)c1ncc(cn1)C#N |wD:1.0,5.5,(2,11.98,;1.15,13.26,;1.85,14.64,;1,15.93,;-.53,15.84,;-1.23,14.47,;-2.76,14.38,;-.38,13.18,;-1.08,11.8,;-2.62,11.72,;-.24,10.52,;-.93,9.14,;-.09,7.85,;-.78,6.48,;-2.32,6.39,;-3.01,5.02,;-2.17,3.73,;-2.86,2.35,;-2.02,1.06,;-.87,1.53,;.25,-.02,;-.86,-1.1,;-1.96,.46,;-3.12,-.01,;-2.01,-1.56,;-.9,-.48,;-.63,3.81,;.06,5.19,;1.7,17.3,;.86,18.59,;1.55,19.97,;3.09,20.05,;3.93,18.76,;3.24,17.39,;3.78,21.43,;4.48,22.8,)|
BDBM503240 C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F
BDBM503270 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccnc(c1)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
BDBM503274 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C#N
BDBM503275 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C#N
BDBM503276 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(nn1)C#N
BDBM503244 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F
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
BDBM503279 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
BDBM503281 C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(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
BDBM503283 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(=O)NC1CC1
BDBM502793 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(O)=O
BDBM502794 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)c(Cl)n1
BDBM502795 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(NCC(F)(F)F)n1
BDBM502796 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(Cl)cc(n1)C#N
BDBM502797 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(F)c(F)c(F)n1
BDBM502798 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(NCC(F)(F)F)n1
BDBM502854 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc3OCCOc3c2)CC1)c1cc(F)c(F)c(F)c1
BDBM502855 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(F)c2)CC1)c1cc(F)c(F)c(F)c1
BDBM502856 O=C(NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCN(CC1)c1ccc(cn1)C#N
BDBM502857 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2csc(C)n2)CC1)c1cc(F)c(F)c(F)c1
BDBM502858 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2OC(F)F)CC1)c1cc(F)c(F)c(F)c1
BDBM502859 CC(N1CCC(CCNC(=O)N2CCN(C[C@H]2C)c2cc(F)c(F)c(F)c2)CC1)c1ccccc1
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
BDBM502899 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(O)c(C)c2)CC1)c1cnc(nc1)C(F)(F)F
BDBM502900 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cnc(nc1)C(F)(F)F
BDBM502901 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2cccc(F)c2)CC1)c1cnc(nc1)C(F)(F)F
BDBM502902 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2F)CC1)c1cnc(nc1)C(F)(F)F
BDBM502721 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C)nc1
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
BDBM502752 COc1cc(cc(c1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N
BDBM502753 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc2ccccc2c1
BDBM502754 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)cn1
BDBM502755 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1F)C#N
BDBM502756 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(s1)C#N
BDBM502757 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F
BDBM502758 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cn1
BDBM502799 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nccc(n1)C(F)(F)F
BDBM502800 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)c(Cl)n1
BDBM502803 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Br)c(Cl)n1
BDBM502804 COC(=O)c1cc(Cl)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502806 COC(=O)c1cc(C)nc(n1)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502807 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N
BDBM502860 Fc1ccc(CN2CCC(CCNC(=O)c3ccc(OCc4ccccc4)cc3)CC2)cc1
BDBM502861 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(cc2)C(N)=O)CC1)c1cc(F)c(F)c(F)c1
BDBM502862 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(F)c2F)CC1)c1cc(F)c(F)c(F)c1
BDBM502863 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(c2)C#N)CC1)c1cc(F)c(F)c(F)c1
BDBM502864 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(CC1)C(c1nnc(C)o1)c1ccccc1)c1cc(F)c(F)c(F)c1
BDBM502865 C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1)c1cc(F)c(F)c(F)c1
BDBM502903 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(cc2)N(C)C)CC1)c1cnc(nc1)C(F)(F)F
BDBM502904 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1)c1cnc(nc1)C(F)(F)F
BDBM502905 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1cnc(nc1)C(F)(F)F
BDBM502908 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CCc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F
BDBM502909 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(O)c(C)c2)CC1)c1ncc(cn1)C#N
BDBM502912 C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ncccn2)CC1)c1ncc(cn1)C#N
BDBM502947 Clc1ccc(N2CCN(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(c1)C#N
BDBM502948 FC(F)(F)Oc1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502949 CN(C1CCN(C1)c1ccc(Br)cn1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502950 O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(CC1)c1csc2ccccc12
BDBM502951 Clc1cccc(c1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502952 FC(F)(F)c1ccc(N2CCN(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(c1)C#N
BDBM502953 Clc1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503044 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1cccs1
BDBM503045 FC(F)(F)Sc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503046 Cc1nc(sc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(F)nc1
BDBM503047 FC(F)(F)c1cnc(N2CCC(CC2)C(=O)N(CCC2CCN(Cc3ccccc3)CC2)C2CC2)c(Cl)c1
BDBM503048 COc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C(F)(F)F
BDBM503049 Clc1ccc(cc1-c1nc2ccccc2cc1C#N)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM503050 Cc1[nH]c(nc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1Cl
BDBM503079 O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1cncc(c1)C#N
BDBM503080 CC1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1OC(F)(F)F
BDBM503081 FC(F)(F)Oc1ccccc1N1CCC(F)(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
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
BDBM503170 Oc1ccccc1CN1CCC(CCNC(=O)C2CCN(CC2)c2ccc(cn2)C#N)CC1
BDBM502740 COc1nc(ncc1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM502774 COc1nc(ncc1C#N)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
BDBM521041 Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
BDBM521043 Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(CC2CCSCC2)CC3)nn1
BDBM521048 Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(Cc2ncccc2C)CC3)nn1
BDBM521049 Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CCC(C)(C)C)CC3)nn1
BDBM521050 Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(CCC(C)(C)C)CC3)nn1
BDBM521051 CC(C)(C)CCN1CCC2(CC(C2)Oc2ccc(nn2)-c2cc(F)ccc2Cl)CC1
BDBM521094 Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(Cc2ccccc2F)CC3)nn1
BDBM521095 Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(Cc2ccccn2)CC3)nn1
BDBM521096 Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(Cc2ncccc2C)CC3)nn1
BDBM521097 CC1CC2CC3CC(CN4CCC5(CC(CNc6ccc(nn6)-c6cn(C)nc6C)C5)CC4)(C1)C23
BDBM521098 Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(Cc2ccc(F)cc2)CC3)nn1
BDBM521099 Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:29|
BDBM521100 CC(C)(C)CCN1CCC2(CC(COc3ccc(nn3)-c3cc(F)ccc3Cl)C2)CC1
BDBM521010 Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(CCC(C)(C)C)CC3)nn1
BDBM521011 Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(CCC(C)(C)C)CC3)nn1
BDBM521012 Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:28|
BDBM521013 CC(CN1CCC2(CC(C2)Nc2ccc(nn2)-c2cn(C)nc2C)CC1)C(C)(C)C
BDBM521014 Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
BDBM521015 Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(CC2CCSCC2)CC3)nn1
BDBM521036 Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(Cc2ncccc2C)CC3)nn1
BDBM521037 Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:28|
BDBM521040 CC(CN1CCC2(CC(C2)Nc2ccc(nn2)-c2c(C)cnn2C)CC1)C(C)(C)C
BDBM521055 Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:29|
BDBM521057 CC(CN1CCC2(CC(C2)Oc2ccc(nn2)-c2cc(F)ccc2Cl)CC1)C(C)(C)C
BDBM521058 Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
BDBM521059 Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
BDBM521060 Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(CC2CCCOC2)CC3)nn1
BDBM521061 Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(CC2CCSCC2)CC3)nn1
BDBM521062 Fc1ccc(Cl)c(c1)-c1ccc(OC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
BDBM521066 Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
BDBM521067 Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
BDBM521068 Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CC2CCCOC2)CC3)nn1
BDBM521069 Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CC2CCSCC2)CC3)nn1
BDBM521070 Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
BDBM521071 Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(Cc2ncccc2C)CC3)nn1
BDBM521072 Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:28|
BDBM521080 Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:30|
BDBM521081 CC(C)(C)CCN1CCC2(CC(CNc3ccc(nn3)-c3cc(F)ccc3Cl)C2)CC1
BDBM521082 Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
BDBM521083 Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(CC2CCCOC2)CC3)nn1
BDBM521084 Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
BDBM521085 Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
BDBM521086 Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(Cc2ccccc2F)CC3)nn1
BDBM521063 Cc1cccnc1CN1CCC2(CC(C2)Oc2ccc(nn2)-c2cc(F)ccc2Cl)CC1
BDBM521064 Cc1nn(C)cc1-c1ccc(OC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:28|
BDBM521065 CC(CN1CCC2(CC(C2)Oc2ccc(nn2)-c2cn(C)nc2C)CC1)C(C)(C)C
BDBM521073 CC(CN1CCC2(CC(C2)Oc2ccc(nn2)-c2c(C)cnn2C)CC1)C(C)(C)C
BDBM521074 Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
BDBM521075 Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
BDBM521076 Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(CC2CCSCC2)CC3)nn1
BDBM521077 Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
BDBM521078 Cc1cnn(C)c1-c1ccc(OC2CC3(C2)CCN(Cc2ncccc2C)CC3)nn1
BDBM521079 Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(CCC(C)(C)C)CC3)nn1
BDBM521087 Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(Cc2ccccn2)CC3)nn1
BDBM521088 COc1cccc(CN2CCC3(CC(CNc4ccc(nn4)-c4cc(F)ccc4Cl)C3)CC2)n1
BDBM521089 Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC3(C2)CCN(Cc2ccc4OCOc4c2)CC3)nn1
BDBM521090 Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
BDBM521091 Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(CC2CCCOC2)CC3)nn1
BDBM521092 Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
BDBM521093 Cc1nn(C)cc1-c1ccc(NCC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
BDBM521101 Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:30|
BDBM521102 Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(CC2CCCCC2)CC3)nn1
BDBM521103 Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(CC2CCCOC2)CC3)nn1
BDBM521104 Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(CC2CCOCC2)CC3)nn1
BDBM521105 Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(Cc2ccccc2)CC3)nn1
BDBM521106 Fc1ccc(Cl)c(c1)-c1ccc(OCC2CC3(C2)CCN(Cc2ccccn2)CC3)nn1
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
BDBM50546043 Cc1c(Cl)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
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
BDBM50546042 Cc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C
BDBM50546044 Cc1cnnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
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
BDBM50546045 COc1nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c2c1C
BDBM50546046 Cc1c(O)nnc2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
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
BDBM525281 [O-]C(=O)c1ccccc1Nc1c(Cl)ccc(OCc2ccccc2)c1Cl
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|
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|
BDBM50569116 COc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17|
BDBM50569117 CN1CCC(=CC1)C1=Nc2cc(F)ccc2Nc2ccc(Cl)cc12 |c:4,t:8|
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
BDBM50579887 Cc1cc(C)c2c(n1)sc1c(C)ncnc21
BDBM50579888 Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CCOCC1
BDBM50579897 CN(C)c1nccc2c1sc1nc(C)cc(C)c21
BDBM50579898 Cc1cc(C)c2c(n1)sc1c(NC3CCCC3)nccc21
BDBM50579869 Cc1cc(C)c2c(n1)sc1c(NCc3ncc(F)cn3)ncnc21
BDBM50579882 Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CCCC1
BDBM50579883 Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CCC1
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
BDBM50569114 CCN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:5,t:9|
BDBM50569115 CC(C)N1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:6,t:10|
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|
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|
BDBM50577261 C(CC1CCN(Cc2ccccc2)CC1)Nc1cc2CCCCc3ccccc3-c2nn1
BDBM50577262 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2nn(C)cc2c1 |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|
BDBM50569112 CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(C)cc12 |c:4,t:8|
BDBM50569113 CCc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17|
BDBM50577272 [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2C(=O)N(C)Cc2c1 |r|
BDBM50579877 Cc1cc(C)c2c(n1)sc1c(OCc3ccc(cc3)C(C)(C)O)ncnc21
BDBM50579878 COCC1CN(C1)c1ncnc2c1sc1nc(C)cc(C)c21
BDBM50579865 Cc1cc(C)c2c(n1)sc1c(NCc3ccc(nc3)-n3ccnc3)ncnc21
BDBM50579866 Cc1cc(C)c2c(n1)sc1c(NCc3ccc(CN4CCOCC4)cc3)ncnc21
BDBM50579870 Cc1cc(C)c2c(n1)sc1c(NCc3cnc(C)nc3)ncnc21
BDBM50579871 Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3)C(C)(C)O)ncnc21
BDBM50579899 Cc1cc(C)c2c(n1)sc1c(NC3CCC3)nccc21
BDBM50579884 Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CC2(COC2)C1
BDBM50579885 Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CCCCC1
BDBM50579889 Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CCNCC1
BDBM50579890 Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CCN(CC1)C(=O)C1CC1
BDBM50579874 Cc1cc(C)c2c(n1)sc1c(NC3CN(C3)c3ncc(cn3)C(F)(F)F)ncnc21
BDBM50579875 Cc1cc(C)c2c(n1)sc1c(NC3CC(C3)c3ccncc3)ncnc21 |(25,-7.7,;26.33,-6.93,;26.33,-5.39,;27.66,-4.62,;27.66,-3.08,;29,-5.38,;29,-6.93,;27.66,-7.7,;30.47,-7.41,;31.38,-6.16,;32.92,-6,;33.82,-7.25,;35.35,-7.09,;36.54,-8.07,;37.52,-6.87,;36.32,-5.9,;39.04,-6.72,;39.94,-7.97,;41.47,-7.81,;41.93,-6.43,;41.19,-5.15,;39.67,-5.32,;33.55,-4.59,;32.63,-3.33,;31.1,-3.5,;30.47,-4.9,)|
BDBM50579892 Cc1cc(C)c2c(n1)sc1c(ncnc21)-c1nccs1
BDBM50579893 COc1ccc(CNc2nccc3c2sc2nc(C)cc(C)c32)cc1F
BDBM50579879 Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CC(F)(F)C1
BDBM50579891 Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CCN(CC1)C(=O)C1(C)CC1
BDBM50579867 Cc1cc(C)c2c(n1)sc1c(NCc3ccc4CCCc4n3)ncnc21
BDBM50579876 COc1ccc(cc1)C1CC1Nc1ncnc2c1sc1nc(C)cc(C)c21
BDBM50579886 Cc1cc(C)c2c(n1)sc1c(ncnc21)C1CC1
BDBM50579894 Cc1cc(C)c2c(n1)sc1c(NCc3ccc(cc3)C(C)(C)O)nccc21
BDBM50579895 Cc1cc(C)c2c(n1)sc1c(NC3CN(C3)c3ncc(cn3)C(F)(F)F)nccc21
BDBM50579864 Cc1cc(C)c2c(n1)sc1c(NCc3ccc(OC(F)F)cc3)ncnc21
BDBM50579880 Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CC2CC2C1
BDBM50579868 Cc1cc(C)c2c(n1)sc1c(NCc3ccc4COCc4c3)ncnc21
BDBM50596229 Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
BDBM50596230 Fc1ccc(Cl)c(c1)-c1ccc(NC[C@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
BDBM50596238 Cn1cc2cc(ccc2n1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
BDBM50596235 Fc1ccc(cc1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
BDBM50596241 Fc1ccc(Cl)c(c1)-c1ccc(NC2CC22CCN(CC3CCOCC3)CC2)nn1
BDBM50596242 Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC22CCN(CC3CCCCC3)CC2)nn1
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|
BDBM50596233 Fc1ccccc1-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
BDBM50596234 Fc1cccc(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |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|
BDBM50596240 Fc1ccc(Cl)c(c1)-c1ccc(NC2CC3(C2)CN(CC2CCOCC2)C3)nn1
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
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|
BDBM50609875 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|
BDBM50609876 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|
BDBM50609884 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|
BDBM50609877 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|
BDBM50609878 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|
BDBM50609879 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|
BDBM50608203 COc1cc2ccc(cc2nn1)-c1nc(C)ccc1-c1cnn(CC2(F)CCCC2)c1
BDBM50609400 C[C@H]1CN(C[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|
BDBM50609880 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,)|
BDBM50609881 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,)|
BDBM50609882 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,)|
BDBM50609883 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,)|
BDBM50613706 COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1
BDBM50613711 COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cn1
BDBM50613712 COc1ncc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
BDBM50613713 Cc1nnc2sc(C(=O)NCc3ccc(O)c(F)c3)c(N)c2c1C
BDBM50613714 COc1ccc(cc1F)[C@@H](C)NC(=O)c1sc2nnc(C)c(C)c2c1N |r|
BDBM50613715 COc1ccc(cc1F)[C@H](C)NC(=O)c1sc2nnc(C)c(C)c2c1N |r|
BDBM50613708 COc1c(F)cc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
BDBM50613709 COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1F
BDBM50613710 COc1cc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)c(F)c1
BDBM50613705 Cc1nnc2sc(C(=O)NCc3ccc(O)cc3)c(N)c2c1C
BDBM50613707 COc1cc(F)c(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F