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898 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|
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
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
BDBM48076 Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)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
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,)|
BDBM82479 CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
BDBM82376 CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1
BDBM82423 CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
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|
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
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|
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
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
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|
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
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
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|
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|
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|
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|
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