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222 SMILES Strings for Lanosterol synthase

Compound NameSMILES String
BDBM50003025 CCCCCCCCCCCC(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
BDBM50003026 CCCCCCCCCCCC(=S)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
BDBM50003027 CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
BDBM50003028 CCCCCCCCCCCCS(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
BDBM50003029 CCCCCCCCCCCCS(=O)(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
BDBM50003030 CC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12
BDBM50003031 C[C@@H]1[C@@H](O)CC[C@]2(C)CN(CC[C@@H]12)C(C)=O
BDBM50003032 CCCCCCCCCCCCN1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
BDBM50018516 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-1-[#6]-[#6]-1
BDBM50018517 [#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\Cl)Cl)=[#6]/[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/Cl)Cl
BDBM50018520 C\C(CC\C=C(/C)CC\C=C(\C)C=C)=C/CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C=C
BDBM50018521 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]=[#6]
BDBM50018522 C\C(CC\C=C(/C)CCC(O)C#C)=C/CC\C=C(/C)CC\C=C(/C)CCC(O)C#C
BDBM50018523 C\C(CC\C=C(/C)CCC#C)=C/CC\C=C(/C)CC\C=C(/C)CCC#C
BDBM50018524 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6](-[#8])C#C
BDBM50018525 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]C#C
BDBM50018526 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6]-1/[#6]-[#6]-1
BDBM50018527 C\C(CC\C=C(/C)CCC=C=C)=C/CC\C=C(/C)CC\C=C(/C)CCC=C=C
BDBM50052351 OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)|
BDBM50051374 C[C@]12CC[C@H](O)C(C)(C)C1=CCNC2 |c:10|
BDBM50051375 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1 |t:15|
BDBM50051376 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6@H]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1
BDBM50051377 CCCCCCCCCCCCN1CC[C@@H]2[C@H](CCCC2(C)C)C1
BDBM50051378 CC1(C)[C@@H](O)CC[C@]2(C)CN(Cc3ccccc3)CC=C12 |t:20|
BDBM50051379 CCCCCCCCCCCCCCN1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1 |t:16|
BDBM50051380 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6@@H]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1
BDBM50051381 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1 |t:14|
BDBM50051382 CCCCCCCCCCCCN1CC=C2C[C@@H](O)CC[C@]2(C)C1 |t:14|
BDBM50051383 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6@@H]2-[#6@H](-[#6]-[#6]-[#6@H](-[#8])C2([#6])[#6])-[#6]-1
BDBM50051365 CC1(C)[C@@H](O)CC[C@]2(C)CN(CCCc3ccccc3)CC=C12 |t:22|
BDBM50051366 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1 |t:15|
BDBM50051367 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1 |t:10|
BDBM50051368 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1 |t:14|
BDBM50051369 CCCCCCCCCCCCCCCCCCN1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1 |t:20|
BDBM50051370 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1 |t:15|
BDBM50051371 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]1=[#6]-[#6]-[#6]-[#6@H]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]12[#6] |t:16|
BDBM50051372 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6]-1 |t:14|
BDBM50051373 CCCCCCCCCCCCN1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1 |t:14|
BDBM50055639 [#6]-[#6](-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]-[#6]-1-[#8]-[#6]-1-[#6]
BDBM50055640 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
BDBM50055641 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#16]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
BDBM50055642 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
BDBM50055643 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6])-[#16]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM50055644 [#6]-[#6](-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]=[#6])-[#6]-[#6]-[#6]-1-[#8]-[#6]-1-[#6]
BDBM50055645 CC(C)CCC(=O)C(C)C=CC\C(C)=C\CC\C=C(/C)CCCC(C)CCC1OC1C |w:9.8|
BDBM50062845 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6]-[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6])-[#6]=[#6]
BDBM50062846 [#6]\[#6](-[#6])=[#6]\[#6]\[#6](-[#6]=[#6])=[#6]/[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
BDBM50062847 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]=[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
BDBM50062848 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6]=[#6])=[#6]/[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
BDBM50062849 CC(CC\C=C\C=C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C
BDBM50062850 CC(CC\C=C/C=C)=CCCC=C(C)CC\C=C(/C)CCC1OC1(C)C
BDBM50062851 CC(CCC=C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C
BDBM50075719 CCOC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:12:13:18.17:20.21,14:13:18.17:20.21,(10.63,-1.41,;9.54,-2.5,;9.94,-3.98,;8.86,-5.08,;9.25,-6.57,;7.36,-4.68,;6.27,-5.77,;4.78,-5.38,;4.38,-3.89,;2.9,-3.49,;1.81,-4.59,;.33,-4.19,;-1.17,-3.79,;-2.66,-3.4,;-2.26,-1.9,;-3.89,-4.07,;-4.88,-2.49,;-6.75,-2.53,;-5.51,-1.8,;-3.62,-1.88,;-3.15,-.9,;-4.25,-1.27,;2.22,-6.06,;1.13,-7.15,;-.37,-6.75,;-1.45,-7.84,;3.7,-6.46,)|
BDBM50095595 O=C(C1CCN(CC1)c1ccncc1)N1CCN(CC1)S(=O)(=O)c1ccccc1
BDBM50095596 Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1
BDBM50095597 Cc1nccc(n1)N1CCC(CC1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1
BDBM50095598 Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncn1
BDBM50095599 FC(F)(F)c1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1)-[#6]-1=[#7]-[#6]-[#6]-[#8]-1 |t:28|
BDBM50095600 Ic1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1
BDBM50095601 Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1 |THB:13:14:20.21:18.17,(8.94,-7.02,;7.44,-6.62,;7.03,-5.14,;5.55,-4.75,;4.47,-5.85,;4.87,-7.34,;6.36,-7.72,;2.98,-5.45,;1.89,-6.55,;2.57,-3.96,;1.08,-3.58,;.68,-2.09,;1.76,-.99,;1.36,.49,;-.13,.89,;-1.37,.23,;-2.35,1.8,;-4.22,1.75,;-2.98,2.49,;-1.1,2.42,;-.62,3.39,;-1.73,3.01,;3.25,-1.38,;3.65,-2.86,)|
BDBM50108877 Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
BDBM50108879 CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N
BDBM50128058 CN(CCCCCCOc1ccc2c(nn(C)c2c1)-c1ccc(Br)cc1)CC=C
BDBM50128059 CN(CCCCCCOC1CCN(CC1)C(=O)c1ccc(F)cc1)CC=C
BDBM50128060 CN(CC=C)C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1
BDBM50128061 CN(C[C@H]1C[C@@H]1COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1
BDBM50128062 CN(C\C=C\COc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1
BDBM50128063 CN(CCCCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
BDBM50128064 CN(CC=C)C\C=C\COc1ccc2c(csc2c1)-c1ccc(Br)cc1
BDBM50128065 CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)CC=C
BDBM50128066 CN([C@H]1CC[C@@H](CC1)c1ccc(CN2CCCCC2)cc1)C(=O)Oc1ccc(Cl)cc1 |wU:2.1,wD:5.8,(5.42,2.82,;5.42,1.28,;4.09,.51,;4.09,-1.03,;2.75,-1.8,;1.42,-1.03,;1.43,.51,;2.76,1.28,;.08,-1.78,;.09,-3.32,;-1.24,-4.09,;-2.58,-3.31,;-3.91,-4.08,;-5.25,-3.3,;-6.58,-4.08,;-7.91,-3.3,;-7.9,-1.76,;-6.57,-1,;-5.24,-1.77,;-2.58,-1.77,;-1.24,-1.01,;6.75,.51,;6.75,-1.03,;8.1,1.28,;9.43,.51,;9.43,-1.03,;10.76,-1.8,;12.09,-1.03,;13.42,-1.8,;12.09,.51,;10.76,1.28,)|
BDBM50128067 CN(CC=C)C\C=C\COc1cc2n(C)nc(-c3ccc(Br)cc3)c2cc1F
BDBM50128068 CN(CCCCCCOc1ccc2c(noc2c1)-c1ccc(Br)cc1)CC=C
BDBM50128069 CN(C[C@H]1C[C@@H]1COc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1
BDBM50128070 CN(CC=C)Cc1ccc(cc1)-c1ccc(cc1)C(=O)c1ccc(Br)cc1
BDBM50128071 Clc1ccc(cc1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]\c1ccc(cc1)-[#6]-1=[#7]-[#6]-[#6]-[#8]-1 |t:25|
BDBM50128072 Brc1ccc(cc1)C(=O)c1ccc(OC[C@H]2C[C@@H]2CN(CC=C)C2CC2)cc1
BDBM50128045 CN(CCCCCCOc1ccc2c(coc2c1)-c1ccc(Br)cc1)CC=C
BDBM50128046 CN(CC=C)C\C=C\COc1ccc2c(noc2c1)-c1ccc(Br)cc1
BDBM50128047 CN(CC=C)C\C=C\COc1ccc(cc1)-c1nsc2cc(Br)ccc12
BDBM50128048 CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1
BDBM50128049 CN([C@H]1CC[C@@H](CC1)c1ccc(C[N+]2([O-])CCCCC2)cc1)C(=O)Oc1ccc(Cl)cc1 |wU:2.1,wD:5.8,(5.79,.97,;5.79,-.57,;4.45,-1.34,;4.45,-2.88,;3.12,-3.65,;1.78,-2.88,;1.78,-1.34,;3.12,-.57,;.44,-3.65,;-.88,-2.86,;-2.22,-3.63,;-2.24,-5.17,;-3.57,-5.94,;-4.9,-5.16,;-4.91,-6.71,;-4.9,-3.63,;-6.22,-2.86,;-7.56,-3.61,;-7.56,-5.16,;-6.23,-5.94,;-.88,-5.94,;.45,-5.17,;7.13,-1.34,;7.13,-2.88,;8.47,-.57,;9.8,-1.34,;11.13,-.57,;12.46,-1.34,;12.46,-2.88,;13.81,-3.65,;11.13,-3.65,;9.8,-2.88,)|
BDBM50128050 CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC=C
BDBM50128051 CN(CCCCCCOc1ccc2c(n[nH]c2c1)-c1ccc(Br)cc1)CC=C
BDBM50128052 CN(CCCCCCOc1ccc(cc1)-c1nsc2cc(Br)ccc12)CC=C
BDBM50128053 CN(CCCCCCOc1ccc2c(C)nn(C)c2c1)CC=C
BDBM50128054 CN(CCCCCCOc1ccc2c(nccc2c1)-c1ccc(Br)cc1)CC=C
BDBM50128055 CN(CCCCCCOc1ccc2C(=NOCc2c1)c1ccc(Br)cc1)CC=C |c:13|
BDBM50128056 CN(CC=C)C\C=C\COc1ccc2c(coc2c1)-c1ccc(Br)cc1
BDBM50128057 CN(CCCCCCOC1CCN(CC1)C(=O)c1ccc(F)cc1)C1CC1
BDBM50133285 C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C
BDBM50133286 CN(C)CCCOc1ccc(cc1)-c1ccccc1
BDBM50130771 CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)CC1CC1
BDBM50130772 CN(CCCCCCOc1ccc2C(=NS(=O)(=O)c2c1)c1ccc(Br)cc1)CC=C |c:13|
BDBM50130774 CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(O)c1)CC=C
BDBM50130775 CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(F)cc1)CC=C
BDBM50130776 CN(CCCCCCOc1ccc2C(=CCOc2c1)c1ccc(Br)cc1)CC=C |c:13|
BDBM50130777 CN(CCCO)CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1
BDBM50130778 CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(Br)cc1)C1CC1
BDBM50130779 CN(CCCCCCOc1ccc(cc1)C(=O)c1ccccc1)CC=C
BDBM50130781 CN(CCCCCCOc1ccc2c(ncnc2c1)-c1ccc(Br)cc1)CC=C
BDBM50130783 COc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1
BDBM50130784 CN(CCCCCCOc1ccc2C(=NCCc2c1)c1ccc(Br)cc1)CC=C |c:13|
BDBM50130785 CN(CCCCCCOc1ccc(cc1)C(=O)c1ccc(cc1)[N+]([O-])=O)CC=C
BDBM50130786 CSc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1
BDBM50130787 CN(CCCCCCOc1ccc(cn1)C(=O)c1ccc(Br)cc1)CC=C
BDBM50130788 CNc1cc(OCCCCCCN(C)CC=C)ccc1C(=O)c1ccc(Br)cc1
BDBM50130789 CN(CCCCCCOc1ccc2c(csc2c1)-c1ccc(Br)cc1)CC=C
BDBM50195962 CCCCCCOC\C=C(/C)CC\C=C(/C)CCCN(C)C
BDBM50195963 CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccccc1
BDBM50195965 CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1ccc(cc1)-c1ccccc1
BDBM50213691 CCCCCCCCCCCCC(=O)N1CCC2[C@H](C)[C@@H](O)CC[C@]2(C)C1 |w:17.16|
BDBM50213692 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6])-[#16]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]\[#6]=[#6](\[#6])-[#6] |w:9.8,1.0|
BDBM50213696 [#6]\[#6](-[#6])=[#6]\[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6] |w:25.24|
BDBM50255430 CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:14.17,wD:11.10,(2.96,-12.19,;4.3,-12.96,;4.3,-14.5,;2.96,-15.27,;1.63,-14.5,;.3,-15.27,;5.63,-15.27,;6.96,-14.5,;8.3,-15.27,;9.63,-14.5,;10.96,-15.27,;12.3,-14.5,;13.62,-15.27,;14.95,-14.51,;14.96,-12.97,;13.63,-12.19,;12.29,-12.96,;16.3,-12.2,;16.3,-10.66,;17.63,-12.98,;18.95,-13.74,;16.86,-14.31,;18.41,-11.65,;19.95,-11.66,;20.73,-10.34,;19.97,-9,;18.42,-8.99,;17.65,-10.32,;20.74,-7.67,;21.51,-6.32,;22.08,-8.44,;19.41,-6.9,)|
BDBM50255431 CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(-5.96,-29.96,;-5.96,-31.5,;-4.63,-32.27,;-3.29,-31.5,;-1.96,-32.27,;-.63,-31.5,;.71,-32.27,;2.04,-31.5,;3.36,-32.27,;4.69,-31.51,;4.7,-29.97,;3.37,-29.19,;2.03,-29.96,;6.04,-29.2,;6.04,-27.66,;7.37,-29.98,;7.36,-31.52,;8.71,-29.21,;10.04,-29.99,;10,-31.53,;11.32,-32.32,;12.67,-31.58,;12.7,-30.03,;11.38,-29.24,;13.99,-32.38,;15.32,-33.15,;13.2,-33.7,;14.77,-31.05,;-7.3,-32.27,;-8.63,-31.5,;-9.96,-32.27,)|
BDBM50255432 CN(CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1)CC=C
BDBM50255433 Brc1ccc(cc1)-c1nsc2cc(OCCCCN3CCOCC3)ccc12
BDBM50255473 CCN(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1
BDBM50255474 Brc1ccc(cc1)-c1nsc2cc(CCCCCN3CCOCC3)ccc12
BDBM50255475 CCN(CCO)CCCC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1
BDBM50255476 CCN(CCO)CC#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1
BDBM50255477 CCN(CCO)C(C)(C)C#Cc1ccc2c(nsc2c1)-c1ccc(Br)cc1
BDBM50255530 CC(=O)N(CCO)CCCCOc1ccc2c(nsc2c1)-c1ccc(Br)cc1
BDBM50255531 CCN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1 |r,wU:14.17,wD:11.10,(19.37,-12.82,;18.05,-13.6,;18.08,-15.14,;16.75,-15.92,;15.41,-15.17,;14.08,-15.96,;19.42,-15.89,;20.74,-15.09,;22.1,-15.85,;23.42,-15.06,;24.77,-15.83,;26.11,-15.04,;27.44,-15.8,;28.77,-15.03,;28.77,-13.49,;27.44,-12.73,;26.11,-13.5,;30.11,-12.71,;30.1,-11.17,;31.45,-13.48,;31.47,-15.01,;32.78,-12.71,;32.78,-11.17,;34.11,-10.4,;34.12,-8.85,;32.78,-8.09,;32.78,-6.55,;31.46,-8.86,;31.46,-10.4,)|
BDBM50255532 CN(CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F)CC=C |r,wU:10.13,wD:7.6,(1.8,-10.87,;1.88,-12.4,;3.25,-13.1,;4.53,-12.26,;5.9,-12.96,;7.19,-12.12,;8.57,-12.82,;9.86,-11.98,;11.23,-12.68,;12.52,-11.84,;12.43,-10.3,;11.06,-9.6,;9.78,-10.44,;13.72,-9.46,;13.63,-7.93,;15.09,-10.15,;16.46,-10.86,;14.39,-11.53,;15.78,-8.78,;15.03,-7.43,;15.82,-6.1,;17.37,-6.13,;18.11,-7.47,;17.31,-8.8,;18.16,-4.82,;18.94,-3.51,;19.47,-5.61,;16.85,-4.03,;.59,-13.24,;-.78,-12.54,;-2.06,-13.38,)|
BDBM50255533 CCN(CC)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:13.16,wD:10.9,(1.63,-6.03,;.29,-6.8,;.29,-8.34,;-1.04,-9.11,;-2.37,-8.34,;1.63,-9.11,;2.95,-8.34,;4.28,-9.11,;5.62,-8.34,;6.95,-9.11,;8.28,-8.34,;9.62,-9.11,;10.95,-8.34,;10.94,-6.79,;9.61,-6.03,;8.28,-6.8,;12.27,-6.03,;12.27,-4.49,;13.6,-6.79,;14.93,-7.56,;12.84,-8.12,;14.36,-5.45,;13.56,-4.14,;14.29,-2.78,;15.84,-2.74,;16.63,-4.05,;15.9,-5.41,;16.57,-1.4,;17.3,-.05,;17.92,-2.13,;15.23,-.66,)|
BDBM50255599 CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:2.1,wD:5.5,(15.72,-4.98,;15.72,-6.52,;14.4,-7.28,;14.4,-8.82,;13.07,-9.6,;11.73,-8.82,;10.4,-9.6,;9.07,-8.82,;7.74,-9.6,;6.4,-8.82,;5.08,-9.6,;3.75,-8.82,;2.42,-9.6,;1.08,-8.82,;1.09,-7.29,;3.75,-7.29,;5.08,-6.52,;5.08,-4.99,;11.74,-7.28,;13.06,-6.52,;17.05,-7.28,;18.39,-8.05,;16.29,-8.61,;17.82,-5.94,;17.03,-4.61,;17.78,-3.26,;19.33,-3.24,;20.11,-4.56,;19.35,-5.91,;20.08,-1.91,;20.83,-.57,;21.42,-2.66,;18.75,-1.15,)|
BDBM50255600 CCN(CC)C(=O)CCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:14.17,wD:11.10,(2.4,-7.24,;1.07,-8,;1.07,-9.54,;-.26,-10.31,;-1.6,-9.54,;2.4,-10.31,;2.4,-11.84,;3.73,-9.54,;5.06,-10.31,;6.39,-9.54,;7.72,-10.31,;9.06,-9.54,;10.39,-10.31,;11.73,-9.54,;11.72,-7.99,;10.39,-7.23,;9.06,-8,;13.04,-7.23,;13.04,-5.69,;14.37,-7.99,;15.71,-8.77,;13.61,-9.33,;15.14,-6.66,;14.42,-5.3,;15.24,-3.98,;16.78,-4.04,;17.5,-5.4,;16.68,-6.71,;17.6,-2.74,;18.41,-1.45,;18.9,-3.56,;16.3,-1.93,)|
BDBM50255601 CCN(CC)C(C)(C)CCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:15.18,wD:12.11,(4.85,-12.48,;3.51,-13.24,;3.51,-14.78,;2.18,-15.55,;.85,-14.78,;4.85,-15.55,;4.07,-16.87,;5.61,-16.87,;6.17,-14.78,;7.5,-15.55,;8.84,-14.78,;10.17,-15.55,;11.5,-14.78,;12.84,-15.55,;14.17,-14.78,;14.17,-13.23,;12.83,-12.47,;11.5,-13.24,;15.49,-12.47,;15.49,-10.93,;16.82,-13.23,;18.15,-14.01,;16.06,-14.57,;17.59,-11.9,;16.81,-10.57,;17.57,-9.22,;19.12,-9.22,;19.89,-10.55,;19.12,-11.89,;19.89,-7.89,;20.65,-6.57,;21.22,-8.66,;18.56,-7.13,)|
BDBM50255602 CCN(CC)C1(CCCC[C@H]2CC[C@@H](CC2)N(C)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CC1 |r,wU:13.16,wD:10.9,(4.17,-7.27,;2.84,-8.04,;2.84,-9.57,;1.51,-10.35,;.18,-9.57,;4.17,-10.35,;5.5,-9.57,;6.83,-10.35,;8.16,-9.57,;9.5,-10.35,;10.83,-9.57,;12.16,-10.35,;13.5,-9.57,;13.49,-8.03,;12.16,-7.27,;10.83,-8.03,;14.82,-7.26,;14.82,-5.73,;16.15,-8.03,;17.48,-8.8,;15.38,-9.36,;16.91,-6.69,;16.14,-5.37,;16.9,-4.02,;18.45,-4.02,;19.22,-5.34,;18.45,-6.68,;19.21,-2.69,;19.97,-1.36,;20.54,-3.45,;17.88,-1.92,;3.4,-11.66,;4.93,-11.66,)|
BDBM50280127 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-[#6]1-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
BDBM50280128 C\C(CC\C=C(/C)CCC1OC1(C)C)=C/CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
BDBM50280129 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
BDBM50282634 CCCCCCCCCC[C@H]1CC[C@H]2[C@H](O)CCCN2C1
BDBM50282635 CCCCCCCCCC[C@@H]1CC[C@H]2[C@H](O)CCCN2C1
BDBM50271619 CN(C)Cc1ccc(CN2CCN(CC2)C(=O)c2ccc(Cl)cc2)cc1
BDBM50271620 CN(C)Cc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM50271621 CN(C)Cc1ccc(CN2CCN(CC2)C(=O)c2ccc(OC(F)(F)F)cc2)cc1
BDBM50271622 CN1CCN(CC1)c1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
BDBM50271623 Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-n2ccnc2)CC1
BDBM50271570 Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(c2)-c2ccncc2)CC1
BDBM50271571 Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
BDBM50271572 Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
BDBM50271573 Clc1ccc(CN2CCN(Cc3ccc(cc3)-c3ccncc3)CC2)cc1
BDBM50271574 COc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
BDBM50271528 OC(c1ccccc1)c1ccc(CCNS(=O)(=O)c2ccc(cc2)C#N)cc1
BDBM50271529 CN(C)Cc1ccc(cc1)-c1ccc(CCNS(=O)(=O)c2ccc(cc2)C#N)cc1
BDBM50271530 Clc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)-c1ccc(CN2CCCC2)cc1
BDBM50281885 CCCCCCCCCCCCN1CCCC(O)C1
BDBM50281886 CC(C)CCCC(C)CCCC(C)N1CCCC(O)C1
BDBM50281887 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]-[#6](-[#8])-[#6]-[#6]-1
BDBM50281889 CC(C)CCCC(C)CCCC(C)N1CCCCC1
BDBM50281891 CCCCCCCCCCCCN1CCC(O)CC1
BDBM50281892 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
BDBM50290987 [#6]\[#6](-[#6]-[#6]\[#6]=[#6]/[#6]=[#6](\F)F)=[#6]/[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6]
BDBM50290988 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6]=[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6]
BDBM50290989 [#6]-[#6](-[#6])-[#6]-[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6])\[#6]=[#6](/F)F
BDBM50290990 C\C(CC\C=C/C=C)=C/CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C
BDBM50290991 CC(C)CCC\C(C=C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C
BDBM50290992 [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H]1-[#8]C1([#6])[#6])\[#6]=[#6](/F)F
BDBM50281890 CCCCCCCCCCCCC(=O)N1CCC(CC1)C(C)CO
BDBM50281893 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]-[#6@H]2-[#6@H](-[#6])-[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1
BDBM50281884 CCCCCCCCCCCCN1CCC(CC1)C(C)CO
BDBM50281888 CC(C)CCCC(C)CCCC(C)N1CCC(CC1)C(C)CO
BDBM50281894 CC(CO)C1CCN(Cc2ccccc2)CC1
BDBM50281895 CC(C)CCCC(C)CCCC(C)N1CCC(O)CC1
BDBM50281896 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]-[#6]-[#6](-[#8])-[#6]-1
BDBM50327304 COc1ccc(cc1)-n1c(C)cc(CNCc2ccc(CN(C)C)cc2)c1C
BDBM50327305 CN(C)Cc1ccc(CNCc2cnn(n2)-c2ccccc2)cc1
BDBM50327306 COc1ccc(cc1)-n1c(C)cc(C(=O)NCc2ccc(CN(C)C)cc2)c1C
BDBM50327307 COc1ccc(cc1)-n1c(C)cc(CNC(=O)c2ccc(CN(C)C)cc2)c1C
BDBM50327308 CCCCCCCCCCCC[N+](C)(C)[O-]
BDBM50360802 CN(C)Cc1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1
BDBM50360803 CN(C)Cc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1
BDBM50360804 CN(C)Cc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)cc1
BDBM50360805 S=C(NCc1ccccc1)Nc1ccc(Cc2ccncc2)cc1
BDBM50360806 O=C(CCc1ccc(CN2CCCC2)cc1)Cn1cnc2sc(cc2c1=O)-c1ccccc1
BDBM50371200 CN(C)CCC\C(C)=C\CC\C(C)=C\COCCCc1cccc2ccccc12
BDBM50394832 CN(CC[C@H]1CC[C@@H](CC1)C(=O)N1CCC(O)CC1)C(=O)Oc1ccc(Cl)cc1 |r,wU:7.10,wD:4.3,(42.05,-39.41,;42.04,-40.95,;40.7,-41.71,;39.38,-40.93,;38.04,-41.69,;36.71,-40.92,;35.36,-41.68,;35.37,-43.22,;36.7,-44,;38.03,-43.23,;34.04,-43.99,;34.03,-45.53,;32.7,-43.21,;31.37,-43.98,;30.05,-43.21,;30.05,-41.67,;28.71,-40.91,;31.37,-40.9,;32.7,-41.67,;43.37,-41.72,;43.36,-43.26,;44.71,-40.96,;46.04,-41.74,;46.02,-43.28,;47.35,-44.05,;48.69,-43.29,;50.02,-44.07,;48.69,-41.74,;47.36,-40.97,)|
BDBM50394833 CN(CCO)CCCCC[C@H]1CC[C@@H](CC1)N(C)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r,wU:10.9,wD:13.16,(5.65,-46.1,;5.65,-47.64,;4.32,-48.41,;2.99,-47.63,;1.65,-48.4,;6.99,-48.41,;8.32,-47.64,;9.65,-48.41,;10.99,-47.64,;12.32,-48.41,;13.66,-47.64,;13.66,-46.1,;14.99,-45.33,;16.32,-46.11,;16.33,-47.64,;14.99,-48.41,;17.65,-45.33,;18.99,-46.1,;17.64,-43.79,;16.1,-43.8,;16.87,-42.45,;18.98,-43.02,;20.32,-43.8,;21.66,-43.03,;21.67,-41.48,;20.32,-40.7,;18.98,-41.48,;23.01,-40.7,;24.34,-41.47,;23,-39.16,;24.33,-39.93,)|
BDBM50394834 CCN(CCO)C[C@H]1CC[C@H](CCN(C)C(=O)Oc2ccc(cc2)C(F)(F)F)CC1 |r,wU:7.6,wD:10.10,(3.56,-33.3,;4.88,-34.07,;4.87,-35.61,;3.54,-36.38,;2.21,-35.6,;.87,-36.36,;6.2,-36.4,;7.54,-35.63,;7.55,-34.09,;8.88,-33.34,;10.2,-34.11,;11.54,-33.35,;12.87,-34.12,;14.21,-33.36,;14.21,-31.82,;15.53,-34.13,;15.53,-35.67,;16.87,-33.37,;18.2,-34.13,;18.19,-35.68,;19.52,-36.45,;20.86,-35.68,;20.86,-34.14,;19.53,-33.37,;22.19,-36.46,;23.53,-35.69,;22.19,-38,;23.52,-37.22,;10.21,-35.65,;8.87,-36.41,)|
BDBM50394835 CCCN(C)CCCC#C[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1 |r,wU:10.9,wD:13.16,(22.91,-26.91,;24.24,-26.14,;24.24,-24.6,;25.57,-23.83,;25.57,-22.29,;26.9,-24.59,;28.23,-23.82,;29.57,-24.58,;30.9,-23.81,;32.24,-23.03,;33.57,-22.26,;33.57,-20.72,;34.9,-19.94,;36.23,-20.72,;36.23,-22.26,;34.9,-23.02,;37.56,-19.95,;37.57,-18.41,;38.89,-20.73,;38.89,-22.27,;40.23,-19.96,;41.56,-20.74,;41.56,-22.28,;42.89,-23.05,;44.23,-22.29,;45.56,-23.06,;44.23,-20.74,;42.89,-19.97,)|
BDBM50394836 CCN(CCO)CCCC#C[C@H]1CC[C@@H](CC1)N(C)C(=O)Oc1ccc(Cl)cc1 |r,wU:11.10,wD:14.17,(4.58,-22.45,;3.25,-23.23,;3.25,-24.77,;1.92,-25.54,;1.92,-27.08,;.59,-27.86,;4.58,-25.53,;5.92,-24.76,;7.25,-25.52,;8.59,-24.75,;9.92,-23.97,;11.26,-23.2,;11.26,-21.66,;12.59,-20.88,;13.91,-21.66,;13.91,-23.2,;12.59,-23.96,;15.25,-20.89,;15.25,-19.35,;16.58,-21.67,;16.58,-23.21,;17.92,-20.9,;19.25,-21.68,;19.25,-23.22,;20.58,-23.99,;21.92,-23.23,;23.25,-24,;21.92,-21.68,;20.58,-20.91,)|
BDBM50406679 [#6]-[#7](-[#6]-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
BDBM50406680 [#6]-[#7](-[#6]-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]
BDBM50412870 CN(CCCCCCOc1ccc2n(C)nc(C)c2c1)CC=C
BDBM50433360 CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[n+]3ccccc3)CCC[C@]12C |r,c:11|
BDBM50433361 CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@]12C |r,c:11|
BDBM50433362 CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)C)CCC[C@]12C |r,c:11|
BDBM50433363 CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)CC=C)CCC[C@]12C |r,c:11|
BDBM50433364 CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[N+](C)(C)[O-])CCC[C@]12C |r,c:11|
BDBM50433365 CNCCCC1=C2CC[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CCC1 |r,c:5|
BDBM50423108 CN(CCCCCCOc1ccc2C(=CS(=O)(=O)c2c1)c1ccc(Br)cc1)CC=C |c:13|
BDBM50423111 CN(C\C=C\COc1ccc(cn1)C(=O)c1ccc(Br)cc1)C1CC1
BDBM50139412 CN(C\C=C\c1ccccc1)Cc1ccc(cc1)C1=CCCN(C)C1 |t:20|
BDBM50139418 CN(Cc1ccc(Cl)cc1)Cc1ccc(cc1)C1CCN(C)CC1
BDBM50139415 CN(C\C=C\c1ccccc1)Cc1ccc(cc1)C1CCCN(C)C1
BDBM50139416 CN(Cc1ccc(cc1)C1CCCN(C)C1)Cc1ccc2ccccc2c1
BDBM50139417 CN(Cc1ccc(Cl)cc1)C1CCc2cc(ccc12)C1CCCN(C)C1
BDBM50139413 CN(Cc1ccc(cc1)C1=CCCN(C)C1)Cc1ccc2ccccc2c1 |t:10|
BDBM50139414 CN(Cc1ccc(Cl)cc1)Cc1ccc(cc1)C1CCCN(C)C1
BDBM50139397 CN(Cc1ccc(Cl)cc1)Cc1ccc(cc1)C1=CCCN(C)C1 |t:19|
BDBM50167086 CC(C)(C)c1nc(cs1)-c1ccnc(c1)-n1ccc(=O)c(O)c1
BDBM50167081 Oc1cn(ccc1=O)-c1nc(cs1)-c1ccccn1
BDBM50167083 Oc1cn(ccc1=O)-c1cc(ccn1)-c1cccc(n1)C(F)(F)F
BDBM50167087 Oc1cn(ccc1=O)-c1cc(ccn1)-c1cccnc1
BDBM50167092 Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccncc1
BDBM50167074 Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccccc1
BDBM50167084 Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccc(Cl)c(Cl)c1
BDBM50167085 Oc1cn(ccc1=O)-c1cc(ccn1)-c1cnn(Cc2ccccc2)c1
BDBM50167256 Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccccn1
BDBM50167078 Oc1cn(ccc1=O)-c1nccc(c1F)-c1ccccc1
BDBM50167079 Oc1cn(ccc1=O)-c1cccc(n1)-c1ccccc1
BDBM50167080 Oc1cn(ccc1=O)-c1ccnc(c1)-c1ccccc1
BDBM50180952 CCN1C(=O)S\C(=C\c2cc(O)c(O)c(c2)[N+]([O-])=O)C1=O
BDBM50180953 CCN(CC)C(=O)c1cc2cc(O)c(O)c([N+]([O-])=O)c2cc1C(=O)N(CC)CC
BDBM50180954 [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CC(=O)NCCCCCC(=O)N(C)Cc3ccc(cc3)C(=O)c3cc(O)c(O)c(c3)[N+]([O-])=O)NC(=O)c3ccc(cc3)N=[N+]=[N-])[C@@]1([H])NC(=O)N2 |r|
BDBM50167075 Cc1cn2nc(ccc2n1)-n1ccc(=O)c(O)c1
BDBM50167076 Oc1cn(ccc1=O)-c1nccc2ccccc12
BDBM50167077 Oc1cn(ccc1=O)-c1ncccc1-c1ccccc1
BDBM50167082 Oc1cn(ccc1=O)-c1ccnc(n1)-c1ccccc1