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580 SMILES Strings for Beta amyloid A4 protein

Compound NameSMILES String
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM8963 C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
BDBM8961 Nc1c2CCCCc2nc2ccccc12
BDBM153270 Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccccc1O
BDBM155104 CC1=N[C@]2(N=C1N)c1cc(OCCCF)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wU:3.2,wD:19.20,22.28,c:4,t:1,(-.62,3.33,;.15,1.99,;-.76,.75,;.15,-.5,;1.61,-.02,;1.61,1.52,;2.95,2.29,;-1.32,-.98,;-2.65,-.21,;-3.98,-.98,;-5.32,-.21,;-5.32,1.33,;-6.65,2.1,;-6.65,3.64,;-7.98,4.41,;-3.98,-2.52,;-2.65,-3.29,;-1.32,-2.52,;.15,-2.99,;1.05,-1.75,;1.82,-.41,;3.36,-.41,;4.13,-1.75,;3.36,-3.08,;1.82,-3.08,;5.67,-1.75,;6.44,-3.08,;7.98,-3.08,;5.67,-4.41,)|
BDBM155120 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
BDBM155121 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,14.16,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
BDBM155106 CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(7.88,-3.1,;7.11,-1.77,;5.57,-1.77,;4.8,-.43,;3.26,-.43,;2.49,-1.77,;1.59,-3.01,;.12,-2.54,;-1.21,-3.31,;-2.55,-2.54,;-2.55,-1,;-3.88,-.23,;-5.21,-1,;-6.55,-.23,;-6.55,1.31,;-7.88,-1,;-1.21,-.23,;.12,-1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;3.26,-3.1,;4.8,-3.1,)|
BDBM155107 CC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N |r,wU:3.2,wD:14.15,17.20,c:4,t:1,(1.87,3.15,;2.64,1.81,;1.73,.57,;2.64,-.68,;4.1,-.2,;4.1,1.34,;5.44,2.11,;1.17,-1.15,;-.16,-.38,;-1.49,-1.15,;-1.49,-2.69,;-.16,-3.46,;1.17,-2.69,;2.64,-3.17,;3.54,-1.92,;4.31,-.59,;5.85,-.59,;6.62,-1.92,;8.16,-1.92,;5.85,-3.26,;4.31,-3.26,;-2.83,-.38,;-2.83,1.16,;-4.16,1.92,;-4.16,3.46,;-5.5,1.16,;-5.5,-.38,;-4.16,-1.15,;-6.83,-1.15,;-8.16,-1.92,)|
BDBM155108 CC1=N[C@@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N |r,wU:3.3,wD:14.15,17.20,c:4,t:1,(1.87,3.15,;2.64,1.81,;1.73,.57,;2.64,-.68,;4.1,-.2,;4.1,1.34,;5.44,2.11,;1.17,-1.15,;-.16,-.38,;-1.49,-1.15,;-1.49,-2.69,;-.16,-3.46,;1.17,-2.69,;2.64,-3.17,;3.54,-1.92,;4.31,-.59,;5.85,-.59,;6.62,-1.92,;8.16,-1.92,;5.85,-3.26,;4.31,-3.26,;-2.83,-.38,;-2.83,1.16,;-4.16,1.92,;-4.16,3.46,;-5.5,1.16,;-5.5,-.38,;-4.16,-1.15,;-6.83,-1.15,;-8.16,-1.92,)|
BDBM155111 CC[C@@H](C)Oc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:10.9,13.16,2.3,c:24,t:20,(-7.88,-1,;-6.55,-.23,;-5.21,-1,;-5.21,-2.54,;-3.88,-.23,;-2.55,-1,;-2.55,-2.54,;-1.21,-3.31,;.12,-2.54,;1.59,-3.01,;2.49,-1.77,;3.26,-.43,;4.8,-.43,;5.57,-1.77,;4.8,-3.1,;3.26,-3.1,;7.11,-1.77,;7.88,-3.1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;.12,-1,;-1.21,-.23,)|
BDBM155094 CC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 |r,wD:15.16,18.21,c:4,t:1,(-.8,3.31,;-.03,1.97,;-.94,.73,;-.03,-.52,;1.43,-.04,;1.43,1.5,;2.77,2.27,;-1.49,-1,;-2.83,-.23,;-4.16,-1,;-5.5,-.23,;-4.16,-2.54,;-2.83,-3.31,;-1.49,-2.54,;-.03,-3.01,;.88,-1.77,;1.65,-.43,;3.19,-.43,;3.96,-1.77,;5.5,-1.77,;3.19,-3.1,;1.65,-3.1,)|
BDBM155096 CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 |r,wD:15.16,3.2,18.21,c:4,t:1,(-.8,3.31,;-.03,1.97,;-.94,.73,;-.03,-.52,;1.43,-.04,;1.43,1.5,;2.77,2.27,;-1.49,-1,;-2.83,-.23,;-4.16,-1,;-5.5,-.23,;-4.16,-2.54,;-2.83,-3.31,;-1.49,-2.54,;-.03,-3.01,;.88,-1.77,;1.65,-.43,;3.19,-.43,;3.96,-1.77,;5.5,-1.77,;3.19,-3.1,;1.65,-3.1,)|
BDBM155097 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)C#CC2CCC2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.27,-3.04,;7.5,-1.7,;5.96,-1.7,;5.19,-.37,;3.65,-.37,;2.88,-1.7,;1.97,-2.95,;.51,-2.47,;-.83,-3.24,;-2.16,-2.47,;-2.16,-.93,;-.83,-.16,;.51,-.93,;1.97,-.46,;.72,.45,;1.2,1.91,;.43,3.24,;2.74,1.91,;3.51,3.24,;3.22,.45,;-3.49,-.16,;-4.83,.61,;-6.16,1.38,;-6.93,2.71,;-8.27,1.94,;-7.5,.61,;3.65,-3.04,;5.19,-3.04,)|
BDBM155098 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)C#CC2CCC2)CC1 |r,wD:5.5,2.1,13.15,c:20,t:16,(8.27,-3.04,;7.5,-1.7,;5.96,-1.7,;5.19,-.37,;3.65,-.37,;2.88,-1.7,;1.97,-2.95,;.51,-2.47,;-.83,-3.24,;-2.16,-2.47,;-2.16,-.93,;-.83,-.16,;.51,-.93,;1.97,-.46,;.72,.45,;1.2,1.91,;.43,3.24,;2.74,1.91,;3.51,3.24,;3.22,.45,;-3.49,-.16,;-4.83,.61,;-6.16,1.38,;-6.93,2.71,;-8.27,1.94,;-7.5,.61,;3.65,-3.04,;5.19,-3.04,)|
BDBM155099 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)C#CC(C)C)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,.61,;-6.55,2.92,;3.26,-3.04,;4.8,-3.04,)|
BDBM155116 CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.21,-4.8,;6.44,-3.47,;4.9,-3.47,;4.13,-2.13,;2.59,-2.13,;1.82,-3.47,;.92,-4.71,;-.55,-4.24,;-1.88,-5.01,;-3.21,-4.24,;-4.55,-5.01,;-3.21,-2.7,;-1.88,-1.93,;-.55,-2.7,;.92,-2.22,;-.33,-1.31,;.15,.15,;-.62,1.48,;1.69,.15,;2.46,1.48,;2.16,-1.31,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.39,;-4.55,-.39,;-5.88,1.93,;-5.88,3.47,;-5.88,5.01,;2.59,-4.8,;4.13,-4.8,)|
BDBM155117 CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)[N+]#[C-])CC1 |r,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-.39,;3.93,-3.26,;5.47,-3.26,)|
BDBM155100 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)C#CC(C)C)CC1 |r,wD:5.5,2.1,13.15,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,.61,;-6.55,2.92,;3.26,-3.04,;4.8,-3.04,)|
BDBM155101 CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:20.22,wD:5.5,2.1,c:27,t:23,(7.21,-3.64,;6.44,-2.31,;4.9,-2.31,;4.13,-.98,;2.59,-.98,;1.82,-2.31,;.92,-3.56,;-.55,-3.08,;-1.88,-3.85,;-3.21,-3.08,;-3.21,-1.54,;-4.55,-.77,;-4.55,.77,;-5.88,1.54,;-5.88,3.08,;-7.21,3.85,;-4.55,3.85,;-7.21,2.31,;-1.88,-.77,;-.55,-1.54,;.92,-1.06,;-.33,-.16,;.15,1.31,;-.62,2.64,;1.69,1.31,;2.46,2.64,;2.16,-.16,;2.59,-3.64,;4.13,-3.64,)|
BDBM155119 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.88,-4.03,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.24,;-2.55,-3.47,;-3.88,-4.24,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.93,;-6.55,.38,;-5.21,1.16,;-3.88,.38,;-5.21,2.7,;-5.21,4.24,;3.26,-4.03,;4.8,-4.03,)|
BDBM155122 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-3.88,-3.24,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|
BDBM155137 CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |r,wU:2.1,wD:5.8,c:24,t:20,(9.34,-2.91,;8.57,-1.58,;7.03,-1.58,;6.26,-2.91,;4.72,-2.91,;3.95,-1.58,;4.72,-.25,;6.26,-.25,;3.55,-3.07,;2.06,-3.47,;.97,-2.38,;-.52,-2.78,;-1.61,-1.69,;-1.21,-.2,;.28,.2,;1.37,-.89,;2.86,-.49,;1.61,.41,;2.09,1.88,;1.32,3.21,;3.63,1.88,;4.4,3.21,;4.1,.41,;-2.3,.89,;-1.9,2.38,;-2.99,3.47,;-4.47,3.07,;-4.87,1.58,;-3.78,.49,;-6.36,1.18,;-7.85,.78,;-9.34,.38,)|
BDBM155138 CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |r,wD:5.8,2.1,c:24,t:20,(9.34,-2.91,;8.57,-1.58,;7.03,-1.58,;6.26,-.25,;4.72,-.25,;3.95,-1.58,;4.72,-2.91,;6.26,-2.91,;3.55,-3.07,;2.06,-3.47,;.97,-2.38,;-.52,-2.78,;-1.61,-1.69,;-1.21,-.2,;.28,.2,;1.37,-.89,;2.86,-.49,;1.61,.41,;2.09,1.88,;1.32,3.21,;3.63,1.88,;4.4,3.21,;4.1,.41,;-2.3,.89,;-1.9,2.38,;-2.99,3.47,;-4.47,3.07,;-4.87,1.58,;-3.78,.49,;-6.36,1.18,;-7.85,.78,;-9.34,.38,)|
BDBM155123 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
BDBM155124 CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
BDBM155139 CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(Cl)cc(c1)C#N |c:4,t:1|
BDBM155141 CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wD:5.8,2.1,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-.99,;3.97,-.99,;3.2,-2.32,;3.97,-3.66,;5.51,-3.66,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)|
BDBM155142 CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-3.66,;3.97,-3.66,;3.2,-2.32,;3.97,-.99,;5.51,-.99,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)|
BDBM155128 CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(c1)C#N |c:4,t:1|
BDBM155129 CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(F)c1 |c:4,t:1|
BDBM155130 CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cncc(Cl)c1 |c:4,t:1|
BDBM155131 CO[C@H]1CC[C@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1 |r,wD:5.8,2.1,c:25,t:21,(6,.4,;4.67,1.17,;3.33,.4,;2,1.17,;.67,.4,;.67,-1.14,;2,-1.91,;3.33,-1.14,;.67,-2.68,;-.67,-3.45,;-2,-2.68,;-3.33,-3.45,;-4.67,-2.68,;-4.67,-1.14,;-6,-.37,;-3.33,-.37,;-2,-1.14,;-.67,-.37,;-2.13,.1,;-2.13,1.64,;-3.47,2.41,;-.67,2.12,;.1,3.45,;.24,.87,)|
BDBM155133 CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N |r,wD:5.8,2.1,c:24,t:20,(8.59,-3.86,;7.82,-2.52,;6.28,-2.52,;5.51,-1.19,;3.97,-1.19,;3.2,-2.52,;3.97,-3.86,;5.51,-3.86,;2.8,-4.01,;1.32,-4.41,;.23,-3.32,;-1.26,-3.72,;-2.35,-2.63,;-1.95,-1.14,;-.46,-.74,;.63,-1.83,;2.11,-1.43,;.87,-.53,;1.34,.94,;.57,2.27,;2.88,.94,;3.65,2.27,;3.36,-.53,;-3.04,-.05,;-2.64,1.43,;-3.73,2.52,;-3.33,4.01,;-1.84,4.41,;-5.22,2.12,;-5.62,.64,;-4.53,-.45,;-7.1,.24,;-8.59,-.16,)|
BDBM155134 CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.86,;7.82,-2.52,;6.28,-2.52,;5.51,-3.86,;3.97,-3.86,;3.2,-2.52,;3.97,-1.19,;5.51,-1.19,;2.8,-4.01,;1.32,-4.41,;.23,-3.32,;-1.26,-3.72,;-2.35,-2.63,;-1.95,-1.14,;-.46,-.74,;.63,-1.83,;2.11,-1.43,;.87,-.53,;1.34,.94,;.57,2.27,;2.88,.94,;3.65,2.27,;3.36,-.53,;-3.04,-.05,;-2.64,1.43,;-3.73,2.52,;-3.33,4.01,;-1.84,4.41,;-5.22,2.12,;-5.62,.64,;-4.53,-.45,;-7.1,.24,;-8.59,-.16,)|
BDBM155135 CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |r,wD:5.8,2.1,c:24,t:20,(7.85,-2.91,;7.08,-1.58,;5.54,-1.58,;4.77,-.25,;3.23,-.25,;2.46,-1.58,;3.23,-2.91,;4.77,-2.91,;2.06,-3.07,;.57,-3.47,;-.52,-2.38,;-2,-2.78,;-3.09,-1.69,;-2.69,-.2,;-1.21,.2,;-.12,-.89,;1.37,-.49,;.12,.41,;.6,1.88,;-.17,3.21,;2.14,1.88,;2.91,3.21,;2.61,.41,;-3.78,.89,;-3.39,2.38,;-4.47,3.47,;-5.96,3.07,;-6.36,1.58,;-7.85,1.18,;-5.27,.49,)|
BDBM155136 CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |r,wU:2.1,wD:5.8,c:24,t:20,(7.85,-2.91,;7.08,-1.58,;5.54,-1.58,;4.77,-2.91,;3.23,-2.91,;2.46,-1.58,;3.23,-.25,;4.77,-.25,;2.06,-3.07,;.57,-3.47,;-.52,-2.38,;-2,-2.78,;-3.09,-1.69,;-2.69,-.2,;-1.21,.2,;-.12,-.89,;1.37,-.49,;.12,.41,;.6,1.88,;-.17,3.21,;2.14,1.88,;2.91,3.21,;2.61,.41,;-3.78,.89,;-3.39,2.38,;-4.47,3.47,;-5.96,3.07,;-6.36,1.58,;-7.85,1.18,;-5.27,.49,)|
BDBM155144 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4(C)CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-7.32,1.17,;-5.78,1.17,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;-.02,3.2,;2.36,1.91,;3.13,3.24,;2.83,.45,;3.26,-3.04,;4.8,-3.04,)|
BDBM155145 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC(F)(F)C4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:29,t:25,(8.9,-3.04,;8.13,-1.7,;6.59,-1.7,;5.82,-.37,;4.28,-.37,;3.51,-1.7,;2.61,-2.95,;1.14,-2.47,;-.19,-3.24,;-1.53,-2.47,;-1.53,-.93,;-2.86,-.16,;-4.19,-.93,;-5.53,-.16,;-5.93,1.32,;-7.41,.92,;-8.9,.53,;-7.81,2.41,;-7.01,-.56,;-.19,-.16,;1.14,-.93,;2.61,-.46,;1.36,.45,;1.84,1.91,;1.07,3.24,;3.38,1.91,;4.15,3.24,;3.85,.45,;4.28,-3.04,;5.82,-3.04,)|
BDBM155146 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:26,t:22,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.21,1.17,;-7.98,-.16,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|
BDBM155147 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:18.21,wD:5.5,2.1,c:26,t:22,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.21,1.17,;-7.98,-.16,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|
BDBM155149 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:28,t:24,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.98,-.16,;-7.21,1.17,;-7.98,2.5,;-6.44,2.5,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|
BDBM155150 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:19.22,wD:5.5,2.1,c:27,t:23,(7.49,-3.23,;6.72,-1.9,;5.18,-1.9,;4.41,-.57,;2.87,-.57,;2.1,-1.9,;1.2,-3.14,;-.27,-2.67,;-1.6,-3.44,;-2.94,-2.67,;-2.94,-1.13,;-4.27,-.36,;-4.27,1.18,;-5.6,1.95,;-6,3.44,;-7.49,3.04,;-7.09,1.55,;-1.6,-.36,;-.27,-1.13,;1.2,-.65,;-.05,.25,;.43,1.72,;-.34,3.05,;1.97,1.72,;2.74,3.05,;2.44,.25,;2.87,-3.23,;4.41,-3.23,)|
BDBM155152 CO[C@H]1CC[C@@]2(Cc3ccc(OCCC4CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(8.65,-3.04,;7.88,-1.7,;6.34,-1.7,;5.57,-.37,;4.03,-.37,;3.26,-1.7,;2.36,-2.95,;.89,-2.47,;-.44,-3.24,;-1.78,-2.47,;-1.78,-.93,;-3.11,-.16,;-4.44,-.93,;-5.78,-.16,;-7.11,-.93,;-8.65,-.93,;-7.88,-2.27,;-.44,-.16,;.89,-.93,;2.36,-.46,;1.11,.45,;1.59,1.91,;.82,3.24,;3.13,1.91,;3.9,3.24,;3.6,.45,;4.03,-3.04,;5.57,-3.04,)|
BDBM15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
BDBM17747 CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM21360 CCOc1ccc2nc3ccc(=O)cc3oc2c1
BDBM25849 Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM26658 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM26193 OC(=O)c1ccccc1O
BDBM28960 CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM28961 CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
BDBM75309 CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
BDBM50002834 Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(OCC(F)(F)F)c2)cc1
BDBM50002836 Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c2)cc1
BDBM50002835 Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(OCCCC(F)(F)F)c2)cc1
BDBM50002833 Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(c2)C(F)(F)F)cc1
BDBM93325 OCCN(CCO)C1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 |r|
BDBM93326 Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1 |r|
BDBM93327 Cc1ccc(cc1F)S(=O)(=O)CN1C(CCC[C@@H]1C1(CC1)OC(=O)NN1CCC(CC1)N(CCO)CCO)c1cccc(F)c1 |r|
BDBM93328 Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCN(CC1)C1CCCCC1 |r|
BDBM93329 Cc1ccc(cc1F)S(=O)(=O)CN1C(CCC[C@@H]1C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1)c1cccc(F)c1 |r|
BDBM93330 OCCN(CCO)C1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1cccc(F)c1)c1cccc(F)c1 |r|
BDBM93331 OCCN1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 |r|
BDBM136833 CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1 |r,wU:21.23,wD:14.14,17.18,c:28,t:24,(-8.83,-2.47,;-7.5,-1.7,;-6.16,-.93,;-4.83,-.16,;-4.83,1.38,;-3.49,2.15,;-2.16,1.38,;-2.16,-.16,;-3.49,-.93,;-.83,-.93,;-.83,-2.47,;.51,-3.24,;1.84,-2.47,;3.3,-2.95,;4.21,-1.7,;4.98,-.37,;6.52,-.37,;7.29,-1.7,;8.83,-1.7,;6.52,-3.04,;4.98,-3.04,;3.3,-.46,;2.06,.45,;2.53,1.91,;1.76,3.24,;4.07,1.91,;4.84,3.24,;4.55,.45,;1.84,-.93,;.51,-.16,)|
BDBM136880 CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)C)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,.61,;-6.95,2.86,;3.26,-3.04,;4.8,-3.04,)|
BDBM136898 CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.49,-3.23,;6.72,-1.9,;5.18,-1.9,;4.41,-.57,;2.87,-.57,;2.1,-1.9,;1.2,-3.14,;-.27,-2.67,;-1.6,-3.44,;-2.94,-2.67,;-2.94,-1.13,;-4.27,-.36,;-4.27,1.18,;-5.6,1.95,;-6,3.44,;-7.49,3.04,;-7.09,1.55,;-1.6,-.36,;-.27,-1.13,;1.2,-.65,;-.05,.25,;.43,1.72,;-.34,3.05,;1.97,1.72,;2.74,3.05,;2.44,.25,;2.87,-3.23,;4.41,-3.23,)|
BDBM136761 CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-6.95,2.86,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;3.26,-3.04,;4.8,-3.04,)|
BDBM103948 CCS(=O)(=O)NC[C@@H]1CCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM103949 Fc1ccc(F)c2c1OC[C@H]1[C@H](CNS(=O)(=O)C(F)(F)F)CCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM103950 CCS(=O)(=O)CC[C@@H]1CCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM103951 CC(=O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM103952 OCC(O)CC[C@@H]1OCC[C@@]2([C@H]1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM103953 Fc1ccc(F)c2c1OC[C@H]1C[C@H](CC(=O)NCC(F)(F)F)CC[C@@]21S(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
BDBM103954 O[C@@]12COc3c(F)ccc(F)c3[C@@]1(CC[C@H](C2)NS(=O)(=O)C1CC1)S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM103955 Fc1ccc(F)c2c1OC[C@H]1[C@H](CNS(=O)(=O)C(F)(F)F)CCC[C@@]21S(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
BDBM108083 [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50006627 C(CSSCCNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
BDBM50049391 Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
BDBM50052701 COc1ccc2nc(sc2c1)-c1ccc(N)cc1
BDBM50052702 Nc1ccc(cc1)-c1nc2ccccc2s1
BDBM50052710 Nc1ccc(cc1)-c1nc2ccc(O)cc2s1
BDBM50067040 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
BDBM50065315 CN(C)c1ccc(\C=C2/C(=O)N(C)c3ccccc23)cc1
BDBM50070942 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
BDBM50074922 CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
BDBM50079267 Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
BDBM50084980 OC1C(=O)[C@H](Oc2cc(O)cc(O)c12)c1ccc(O)c(O)c1 |r|
BDBM50089189 CC1(C)[C@H]2CCC(C)(C2)[C@H]1NS(=O)(=O)c1ccc(Br)cc1
BDBM50089190 CC12CC[C@@H](C1)C(C)(C)[C@@H]2NS(=O)(=O)c1cccs1
BDBM50089191 CC1(C)[C@H]2CCC(C)(C2)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1
BDBM50089192 CC1(C)C2CCC(C)(C2)C1NS(=O)(=O)c1ccc(F)cc1
BDBM50089193 CC1(C)[C@H]2CCC(C)(C2)[C@H]1NS(=O)(=O)c1ccc(F)cc1
BDBM50101410 OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
BDBM50101411 OC(=O)c1cc(\C=C/c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
BDBM50101412 OC(=O)c1cc(\C=C/c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
BDBM50101413 OC(=O)c1cc(\C=C\c2ccc(\C=C/c3ccc(O)c(c3)C(O)=O)c(Br)c2)ccc1O
BDBM50100131 OC(=O)c1cc(ccc1O)N=Nc1ccc(cc1)-c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:25.28,11.12|
BDBM50100132 CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
BDBM50100130 CN(C)c1ccc(cc1)-c1nc2ccc(I)cc2s1
BDBM50100133 CN(C)c1ccc(cc1)-c1nc2ccc(Br)cc2s1
BDBM50100134 CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C
BDBM50100135 COc1ccc(\C=C\c2ccc(\C=C\c3ccc(OC)c(c3)C(O)=O)c(I)c2)cc1C(O)=O
BDBM50100136 CN1CCN(CC1)c1ccc(cc1)-c1nc2ccc(I)cc2s1
BDBM50109051 CNc1ccc(cc1)-c1nc2ccc(C)cc2s1
BDBM50109052 CNc1ccc(cc1)-c1nc2ccccc2s1
BDBM50122782 CNc1ccc(cc1)-c1cn2ccccc2n1
BDBM50122783 CN(C)c1ccc(cc1)-c1nc2ccccn2c1I
BDBM50122784 CN(C)c1ccc(cc1)-c1cn2cc(C)ccc2n1
BDBM50122785 CN(C)c1ccc(cc1)-c1cn2cc(Br)ccc2n1
BDBM50122786 CNc1ccc(cc1)-c1cn2cc(C)ccc2n1
BDBM50122787 CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1
BDBM50122788 Cc1ccc2nc(cn2c1)-c1ccc(Br)cc1
BDBM50122789 CN(C)c1ccc2nc(cn2c1)-c1ccc(Br)cc1
BDBM50122790 CN(C)c1ccc(cc1)-c1nc2ccc(I)cn2c1I
BDBM50122791 CN(C)c1ccc(cc1)-c1cn2ccccc2n1
BDBM50129783 Nc1ccc(cc1)-c1nc2ccc(Br)cc2s1
BDBM50129784 COc1ccc2nc(sc2c1)-c1ccc(cc1)N(C)C
BDBM50129785 CN(C)c1ccc(cc1)-c1nc2ccc(cc2s1)C#N
BDBM50129786 CNc1ccc(cc1)-c1nc2ccc(OC)cc2s1
BDBM50129787 CNc1ccc(cc1)-c1nc2ccc(cc2s1)C#N
BDBM50129788 Cc1ccc2nc(sc2c1)-c1ccc(N)cc1
BDBM50129789 Nc1ccc(cc1)-c1nc2ccc(cc2s1)C#N
BDBM50129790 CN(C)c1ccc(cc1)-c1nc2ccc(C)cc2s1
BDBM50129791 CN(C)c1ccc(cc1)-c1nc2ccccc2s1
BDBM50129792 CN(C)c1ccc(cc1)-c1nc2ccc(O)cc2s1
BDBM50129793 CNc1ccc(cc1)-c1nc2ccc(O)cc2s1
BDBM50129794 CNc1ccc(cc1)-c1nc2ccc(Br)cc2s1
BDBM50163996 CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1
BDBM50163997 CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1
BDBM50163998 CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(OC)cc1
BDBM50163999 CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1
BDBM50164000 CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1
BDBM50164001 CCOC(=O)N1CCC(CC1)(c1ccccc1C)S(=O)(=O)c1ccccc1
BDBM50164002 CCOC(=O)N1CCC(CC1)(c1ccccc1OC)S(=O)(=O)c1ccccc1
BDBM50172476 COc1ccc(cc1)-c1ccc(cc1F)C(C)C(O)=O
BDBM50172480 CC(C(O)=O)c1ccc(-c2csc3ccccc23)c(F)c1
BDBM50172482 OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1
BDBM50172484 CC(C(O)=O)c1ccc(c(F)c1)-c1ccc2OCOc2c1
BDBM50172485 CC(C)(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F
BDBM50172483 CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(Cl)c(Cl)c1
BDBM50172469 CC(C(O)=O)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1
BDBM50172472 CC(C(N)=O)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1
BDBM50172473 C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
BDBM50173649 Nc1ccc(\C=C\c2ccc(O)cc2)cc1
BDBM50173650 CN(C)c1ccc(\C=C\c2ccc(OCC3COC(C)(C)OC3)cc2)cc1
BDBM50173640 CN(C)c1ccc(\C=C\c2ccc(O)cc2)cc1
BDBM50173642 CNc1ccc(\C=C\c2ccc(OCC(CO)CO)cc2)cc1
BDBM50173643 CN(C)c1ccc(\C=C\c2ccc(OCC(CO)CO)cc2)cc1
BDBM50173645 COc1ccc(cc1)S(=O)(=O)OCC(CO)COc1ccc(\C=C\c2ccc(cc2)N(C)C)cc1
BDBM50173646 Nc1ccc(\C=C\c2ccc(OCC(CO)CF)cc2)cc1
BDBM50173647 CNc1ccc(\C=C\c2ccc(O)cc2)cc1
BDBM50173648 CN(C)c1ccc(\C=C\c2ccc(OCC(CO)Cc3ccc(Br)cc3)cc2)cc1
BDBM50172470 CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F
BDBM50172471 OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCOCC2)cc1
BDBM50172474 CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(OC2CCCCC2)cc1
BDBM50172475 CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)C1CCCCC1
BDBM50172478 CC(C(=O)OC(C)(C)C)c1ccc(c(F)c1)-c1cc(Cl)cc(Cl)c1
BDBM50172459 OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
BDBM50172460 CC1(C)CC(CC(C)(C)C1)Oc1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
BDBM50172461 OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(O)cc1
BDBM50172462 OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCC(CC2)C(F)(F)F)cc1 |(5.41,-14.61,;4.08,-15.38,;4.08,-16.92,;2.74,-14.63,;1.31,-14.05,;2.4,-12.96,;1.41,-15.41,;.08,-14.64,;-1.25,-15.41,;-1.25,-16.95,;.08,-17.72,;.08,-19.26,;1.41,-16.95,;-2.59,-17.72,;-2.58,-19.26,;-3.91,-20.03,;-5.25,-19.26,;-6.6,-20.03,;-7.93,-19.26,;-7.93,-17.72,;-9.26,-16.95,;-10.59,-17.72,;-10.59,-19.26,;-9.26,-20.03,;-11.92,-16.94,;-13.12,-16.22,;-12.16,-15.34,;-13.42,-17.51,;-5.25,-17.72,;-3.92,-16.95,)|
BDBM50172463 OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F
BDBM50172464 CC(c1nnn[nH]1)c1ccc(c(F)c1)-c1ccc(cc1)C(F)(F)F
BDBM50172465 OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
BDBM50172466 CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
BDBM50172467 CC1(C)CCC(CC1)c1ccc(cc1)-c1ccc(cc1F)C1(CC1)C(O)=O
BDBM50172468 OC(=O)C1(CC1)c1ccc(-c2csc3ccccc23)c(F)c1
BDBM50178534 CNc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
BDBM50178536 COc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
BDBM50178537 Nc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
BDBM50178542 COc1ccc(cc1)-c1ccc(s1)-c1ccc(N)cc1
BDBM50178547 Nc1ccc(cc1)-c1ccc(s1)-c1ccc(N)cc1
BDBM50178535 COc1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)N(C)C
BDBM50178538 CN(C)c1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
BDBM50178539 COc1ccc(cc1)-c1ccc(s1)-c1ccc(NCCF)cc1
BDBM50178540 CSc1ccc(cc1)-c1ccc(s1)-c1ccc(SC)cc1
BDBM50178541 COc1ccccc1-c1ccc(s1)-c1ccccc1OC
BDBM50178543 COc1ccc(cc1)-c1ccc(s1)-c1ccc(OC)cc1
BDBM50178544 COc1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)[N+]([O-])=O
BDBM50178545 [O-][N+](=O)c1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)[N+]([O-])=O
BDBM50178546 Oc1ccc(cc1)-c1ccc(s1)-c1ccc(NCCF)cc1
BDBM50176892 CN(C)c1ccc(cc1)-c1cc(=O)c2cc(I)ccc2o1
BDBM50176894 COc1ccc(cc1)-c1cc(=O)c2cc(I)ccc2o1
BDBM50176895 Oc1ccc(cc1)-c1cc(=O)c2cc(I)ccc2o1
BDBM50176896 CNc1ccc(cc1)-c1cc(=O)c2cc(I)ccc2o1
BDBM50182403 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
BDBM50182409 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3)c2)C1=O)C(N)=O
BDBM50185057 CCCC(=O)OC[C@@H](COOOP(O)(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCC
BDBM50185058 CN(C)c1ccc(cc1)-c1cn2cc(CCF)ccc2n1
BDBM50185059 CN(C)c1ccc(cc1)-c1cn2cc(CCCF)ccc2n1
BDBM50185992 Nc1ccc(\C=C\C=C\C=C\c2ccc(N)cc2)cc1
BDBM50185993 Nc1ccc(\C=C\C=C\C=C\c2ccc(NCCF)cc2)cc1
BDBM50185945 COc1ccc2oc(cc2c1)-c1ccc(cc1)N(C)C
BDBM50185946 COc1ccc2oc(cc2c1)-c1ccc(N)cc1
BDBM50185947 CNc1ccc(cc1)-c1cc2cc(OC)ccc2o1
BDBM50185948 CNc1ccc(cc1)-c1cc2cc(O)ccc2o1
BDBM50185949 Nc1ccc(cc1)-c1cc2cc(O)ccc2o1
BDBM50185950 CN(C)c1ccc(cc1)-c1cc2cc(O)ccc2o1
BDBM50185986 Oc1ccc(\C=C\C=C\C=C\c2ccc(O)cc2)cc1
BDBM50185987 [#6]-[#7](-[#6]-[#6]F)-c1ccc2cc(ccc2c1)-[#6](\[#6])=[#6](\C#N)C#N
BDBM50185988 COc1ccc(\C=C\C=C\C=C\c2ccc(OC)cc2)cc1
BDBM50185989 [O-][N+](=O)c1ccc(\C=C\C=C\C=C\c2ccc(cc2)[N+]([O-])=O)cc1
BDBM50185990 CN(C)c1ccc(\C=C\C=C\C=C\c2ccc(cc2)N(C)C)cc1
BDBM50185991 CNc1ccc(\C=C\C=C\C=C\c2ccc(NC)cc2)cc1
BDBM50195679 COc1cc(C=CC(C)=O)ccc1O |w:5.4|
BDBM50195680 COc1cc(C=CC(C)=O)ccc1OCCF |w:5.4|
BDBM50195681 COc1cc(C=CC(=O)CC(C)=O)cc(I)c1O |w:5.4|
BDBM50195682 COc1cc(C=CC(C)=O)cc(I)c1O |w:5.4|
BDBM50195683 COc1cc(C=CC(=O)CC(=O)C=Cc2cc(I)c(O)c(OC)c2)ccc1O |w:6.6,13.13|
BDBM50195684 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OCCCF)c(OC)c2)ccc1O |w:6.6,13.13|
BDBM50195685 COc1cc(C=CC(=O)CC(C)=O)ccc1OCCCF |w:5.4|
BDBM50195686 COc1cc(C=CC(=O)CC(C)=O)ccc1OCCF |w:5.4|
BDBM50195687 COc1cc(C=CC(C)=O)ccc1OCCCF |w:5.4|
BDBM50196898 Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCC(CC2)N2CCCCC2)CCC[C@H]1c1ccccc1
BDBM50196629 Clc1ccc(cc1)S(=O)(=O)N1C(COC(=O)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 |w:11.12|
BDBM50204084 OC(=O)c1cc(\C=C\c2ccc(\C=C\c3ccc(O)c(c3)C(O)=O)c(I)c2)ccc1O
BDBM50210026 Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)NCCCn2ccnc2)CC[C@H]1c1ccccc1
BDBM50210027 Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)NC2CCN(Cc3ccccc3)CC2)CCc2ccccc12
BDBM50210028 Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)NCCCn2ccnc2)CCc2ccccc12
BDBM50210029 Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)NC2CCN(Cc3ccccc3)CC2)CCc2ccccc12
BDBM50210030 OCCN1CCN(CC1)C(=O)OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:15.15|
BDBM50210031 CN1CCN(CC1)C(=O)OCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:12.12|
BDBM50210032 OCCN1CCN(CC1)C(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
BDBM50210033 CN1CCCC1CCNC(=O)OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
BDBM50210034 CN1CCCC1CCNC(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
BDBM50210035 Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)N2CCN(CC2)C2CCCCC2)CCc2ccccc12 |w:11.12|
BDBM50210036 CN1CCCC1CCNC(=O)OCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
BDBM50210037 OCCN1CCN(CC1)C(=O)OCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:14.14|
BDBM50210038 CN1CCN(CC1)C(=O)OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 |w:13.13|
BDBM50210039 Clc1ccc(cc1)S(=O)(=O)N1C(CCOC(=O)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 |w:11.12|
BDBM50210040 Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)NCCCn2ccnc2)CCc2ccccc12
BDBM50210041 Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)NC2CCN(Cc3ccccc3)CC2)CC[C@H]1c1ccccc1
BDBM50210042 Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)N2CCC(CC2)N2CCCCC2)CCc2ccccc12 |w:11.12|
BDBM50210043 Clc1ccc(cc1)S(=O)(=O)N1C(CCCOC(=O)N2CCN(CC2)C2CCCCC2)CCc2ccccc12 |w:11.12|
BDBM50210044 Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCN(CC2)C2CCCCC2)CC[C@H]1c1ccccc1
BDBM50210045 Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCC(CC2)N2CCCCC2)CC[C@H]1c1ccccc1
BDBM50210046 CN1CCN(CC1)C(=O)OC[C@H]1CC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
BDBM50220270 OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
BDBM50220271 Clc1ccc(cc1)S(=O)(=O)N1[C@@H](CCC[C@@H]1C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1)C1CC1
BDBM50220272 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC[C@@H](O)C1
BDBM50220273 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1cc(F)cc(F)c1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
BDBM50220274 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CCO)(CC1)OC
BDBM50220275 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO |w:26.28,29.32,TLB:22:24:31:27.28|
BDBM50220276 CCC1(O)CCN(CC1)C(=O)O[C@H]1CCC2CCCC1N2S(=O)(=O)c1ccc(Cl)cc1 |w:19.19,15.16,THB:11:12:16.17.18:20|
BDBM50220277 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(O)(CC)CC1
BDBM50220278 OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](CC(F)(F)F)N1S(=O)(=O)c1ccc(Cl)cc1
BDBM50220279 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
BDBM50220280 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)C[C@@H]1C
BDBM50220281 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
BDBM50220282 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1cc(F)cc(F)c1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
BDBM50220283 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
BDBM50220284 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
BDBM50220285 OCCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
BDBM50220286 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCCO)CC1
BDBM50220287 Clc1ccc(cc1)S(=O)(=O)N1C2CCCC1[C@H](CC2)OC(=O)N1CCC(CC1)N1CCCCC1 |w:11.12,15.15,TLB:19:16:12.13.14:10|
BDBM50220288 CCC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
BDBM50220289 CCC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CC[C@@H](O)C1
BDBM50220290 CC(C)(CO)N1CCN(CC1)C(=O)O[C@H]1CCC2CCCC1N2S(=O)(=O)c1ccc(Cl)cc1 |w:17.18,21.21,THB:13:14:18.19.20:22|
BDBM50220291 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
BDBM50220292 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)[C@@H](C)C1
BDBM50220293 CCCC1(O)CCN(C1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](CC)N1S(=O)(=O)c1ccc(Cl)cc1 |w:3.3|
BDBM50220294 O[C@@H]1CCN(C1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
BDBM50220295 O[C@@H]1CCN(C1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
BDBM50220296 CC(C)(CO)N1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
BDBM50220297 Fc1cc(F)cc(c1)[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
BDBM50220298 OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1
BDBM50220299 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)N1CCN(CC1)C(C)(C)CO
BDBM50220300 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO |w:27.29,30.33,TLB:23:25:32:28.29|
BDBM50220301 Clc1ccc(cc1)S(=O)(=O)N1C2CCCC1[C@@H](CC2)OC(=O)N1CCC(CC1)N1CCCCC1 |w:11.12,15.15,TLB:19:16:12.13.14:10|
BDBM50220302 FC(F)(F)C[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCC(CC1)N1CCCCC1
BDBM50220303 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCN(CCO)CC1
BDBM50220304 CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(F)cc1)C1(CC1)OC(=O)N1CC2CCC(C1)N2CCO |w:26.28,29.32,TLB:22:24:31:27.28|
BDBM50249479 FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
BDBM50264046 CNc1ccc(\C=C\c2cc3ccc(OC)cc3o2)cc1
BDBM50264047 COc1ccc2oc(\C=C\c3ccc(N(C)C)c(OC)c3)cc2c1
BDBM50264048 COc1ccc2cc(\C=C\c3ccc(N(C)C)c(OC)c3)oc2c1
BDBM50263827 CN(C)c1ccc(\C=C\c2cc3ccccc3o2)cc1
BDBM50263930 COc1ccc2cc(\C=C\c3ccc(cc3)N(C)C)oc2c1
BDBM50263931 CN(C)c1ccc(\C=C\c2cc3ccc(O)cc3o2)cc1
BDBM50263932 CN(C)c1ccc(\C=C\c2cc3ccc(C)cc3o2)cc1
BDBM50263933 CN(C)c1ccc(\C=C\c2cc3ccc(F)cc3o2)cc1
BDBM50263934 CN(C)c1ccc(\C=C\c2cc3ccc(Cl)cc3o2)cc1
BDBM50263935 CN(C)c1ccc(\C=C\c2cc3ccc(Br)cc3o2)cc1
BDBM50263995 CN(C)c1ccc(\C=C\c2cc3ccc(I)cc3o2)cc1
BDBM50263997 CNc1ccc(\C=C\c2cc3cc(OC)ccc3o2)cc1
BDBM50263828 COc1ccc2oc(\C=C\c3ccc(cc3)N(C)C)cc2c1
BDBM50263996 COc1ccc2oc(\C=C\c3ccc(N)cc3)cc2c1
BDBM50263998 Nc1ccc(\C=C\c2cc3cc(O)ccc3o2)cc1
BDBM50263880 CN(C)c1ccc(\C=C\c2cc3cc(O)ccc3o2)cc1
BDBM50263881 CN(C)c1ccc(\C=C\c2cc3cc(C)ccc3o2)cc1
BDBM50263882 CN(C)c1ccc(\C=C\c2cc3cc(F)ccc3o2)cc1
BDBM50263883 CN(C)c1ccc(\C=C\c2cc3cc(Cl)ccc3o2)cc1
BDBM50263884 CN(C)c1ccc(\C=C\c2cc3cc(Br)ccc3o2)cc1
BDBM50263885 CN(C)c1ccc(\C=C\c2cc3cc(I)ccc3o2)cc1
BDBM50263999 CNc1ccc(\C=C\c2cc3cc(O)ccc3o2)cc1
BDBM50264000 COc1ccc2cc(\C=C\c3ccc(N)cc3)oc2c1
BDBM50275723 CCN(CCCCCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCCCCN(CC)Cc1ccccc1OC)c3=O)Cc1ccccc1OC
BDBM50296231 C[C@]12[C@H](O)CC(=O)c3coc(c13)C(=O)c1c3CCC(=O)c3ccc21 |r|
BDBM50305469 CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1 |c:3|
BDBM50300229 CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 |c:3|
BDBM50305483 CN1C(N)=NC(C2CCCCC2)(C2CCCCC2)C1=O |c:3|
BDBM50305467 CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 |c:3|
BDBM50300710 NC1=NC(C2=NCCCN12)(c1ccccc1)c1ccccc1 |t:1,4|
BDBM50314993 Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO
BDBM50314994 Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO
BDBM50314995 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1
BDBM50314996 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(OCCO)c(N)n1
BDBM50314997 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Nc3cncnc3)cc2)n1
BDBM50314998 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccs3)cc2)n1
BDBM50314999 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cnccn3)cc2)n1
BDBM50315000 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)n1
BDBM50315001 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1
BDBM50315002 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccc3)cc2)n1
BDBM50315003 Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1
BDBM50315004 Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1
BDBM50315005 CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
BDBM50315006 COc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
BDBM50315007 Nc1cccc(Cn2c(ccc2-c2ccccc2)-c2ccccc2)n1
BDBM50315282 Fc1ccc(F)c2c1OC[C@H]1C[C@@H](CC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)C(F)(F)F |r|
BDBM50315283 Fc1ccc(F)c2c1OC[C@H]1C[C@@H](CC[C@@]21S(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)C1CC1 |r|
BDBM50334369 CN(C)c1ccc(cc1)C#CC(=O)c1ccc(I)cc1
BDBM50334370 CN(C)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
BDBM50334371 COc1ccc(cc1)C#CC(=O)c1ccc(I)cc1
BDBM50334372 Oc1ccc(cc1)C#CC(=O)c1ccc(I)cc1
BDBM50370673 CN(C)c1ccc(\C=C\c2ccc(OCC(CO)CF)cc2)cc1
BDBM50398211 COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1
BDBM50410859 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3Cl)c2)C1=O)C(N)=O
BDBM50410860 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3cccc(OC)c3)c2)C1=O)C(N)=O
BDBM50410861 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(cc3)C(F)(F)F)c2)C1=O)C(N)=O
BDBM50410862 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NC1CCCC1
BDBM50410863 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(NN3CCCCC3)c2)C1=O)C(N)=O
BDBM50410864 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(F)c(Cl)c3)c2)C1=O)C(N)=O
BDBM50410865 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NCc1ccco1
BDBM50410866 CCCCNC(=O)[C@@H](CCC)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O
BDBM50410867 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(OC)cc3)c2)C1=O)C(N)=O
BDBM50410868 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc4OCOc4c3)c2)C1=O)C(N)=O
BDBM50410869 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2ccccc2)C1=O)C(=O)NO
BDBM50410870 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NC\C=C\Cc1ccccc1
BDBM50410871 CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3cccc(C)c3)c2)C1=O)C(N)=O
BDBM50422738 CNc1ccc(\C=C\c2ccc(OCC(CO)CF)cc2)cc1
BDBM50022087 Oc1ccc(\C=C2/Oc3c(ccc(O)c3O)C2=O)cc1O
BDBM50022088 COc1c(oc2c(O)c(O)ccc2c1=O)-c1ccc(O)c(O)c1
BDBM50020858 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2)cc(OC)c1O
BDBM50020859 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(OC)c1O
BDBM50020860 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Cl)c1O
BDBM50020861 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(Br)c1O
BDBM50020862 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccc(Cl)cc2)cc(O)c1O
BDBM50020863 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)ccc1O
BDBM50020864 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2ccncc2C)cc(OC)c1O
BDBM50020865 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(Cl)c2)cc(OC)c1O
BDBM50020867 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(c2)C(F)(F)F)cc(Cl)c1O
BDBM50020869 COc1cc(\C=c2/sc3nc(cn3c2=O)-c2cccc(OC(F)(F)F)c2)cc(F)c1O
BDBM145852 OCCOCCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145855 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(c2)C(F)(F)F)ccc1O
BDBM145857 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cncc(c2)C(F)(F)F)ccc1O
BDBM145858 COC(=O)CCC(C(=O)\C=C\c1ccc(O)c(c1)C(F)(F)F)C(=O)\C=C\c1ccc(O)c(c1)C(F)(F)F
BDBM145859 Oc1ccc(\C=C\C(=O)C(CCC#N)C(=O)\C=C\c2ccc(O)c(OC(F)(F)F)c2)cc1OC(F)(F)F
BDBM145860 CC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145861 COC(=O)CCC(C(=O)\C=C\c1ccco1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145840 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC(F)(F)F)c2)cc1OC(F)(F)F
BDBM145841 COC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145842 CC(C)(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145843 COC(=O)CC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145844 COC(=O)CCCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145845 CCOC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145846 CC(C)(C)OC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145847 OC(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145848 CCOC(=O)C(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145849 COC(=O)CCC(C(=O)\C=C\c1ccc(O[Na])c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O[Na])c(OC(F)(F)F)c1
BDBM145850 COCOCCCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145851 CN(C)C(=O)CCC(C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1)C(=O)\C=C\c1ccc(O)c(OC(F)(F)F)c1
BDBM145853 COC(=O)COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)cc1OC
BDBM145854 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OCC(O)=O)c(OC)c2)ccc1O
BDBM145856 CNc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(NC)c(c2)C(F)(F)F)cc1C(F)(F)F
BDBM50091055 [H][C@@]12CCC(=O)[C@@]1(C)[C@H](O)CC1=C2C(=O)c2occ3[C@@H](O)CC[C@@]1(C)c23 |r,c:12|
BDBM186050 COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
BDBM162703 FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc2C[C@@H]3CC[C@H](Cc2c1)[C@@H]3NS(=O)(=O)c1ccc(Cl)s1 |r|
BDBM162704 FC(F)(F)c1ccc(CC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1 |r|
BDBM162705 FC(F)(F)c1ccc(c(CCC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)c1)C(F)(F)F |r,TLB:16:17:26:20.21,THB:25:24:26:20.21|
BDBM162706 Fc1ccc(OCCC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1 |r|
BDBM162707 Fc1ccc(\C=C\C(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1 |r|
BDBM162708 FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)cc1 |r|
BDBM162709 CN1c2ccccc2C(=N[C@H](NCC(=O)Nc2ccc3C[C@@H]4CC[C@H](Cc3c2)[C@@H]4NS(=O)(=O)c2ccc(Cl)s2)C1=O)c1ccccc1 |r,c:9|
BDBM186051 COCC[C@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
BDBM186052 COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:5|
BDBM186053 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
BDBM186054 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,t:2|
BDBM186055 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
BDBM186056 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F |r,t:2|
BDBM186057 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F |r,t:2|
BDBM186058 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F |r,t:2|
BDBM186059 COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(C)c1 |r,t:19|
BDBM186060 COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)c1 |r,t:22|
BDBM186061 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)nc2N)ccc1F |r,t:2|
BDBM186063 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C#CCO)ccc1F |r,t:2|
BDBM186064 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F |r,t:2|
BDBM186065 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2N)ccc1F |r,t:2|
BDBM186066 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncccc2Cl)ccc1F |r,t:2|
BDBM186067 COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:22|
BDBM186068 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)F)ccc1F |r,t:2|
BDBM186069 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCl)nc2N)ccc1F |r,t:2|
BDBM186070 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)cc2Cl)ccc1F |r,t:2|
BDBM186071 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F |r,t:2|
BDBM186072 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)cc2Cl)ccc1F |r,t:2|
BDBM186073 CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:20|
BDBM186074 COCCc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|
BDBM186075 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
BDBM186076 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nccnc2N)ccc1F |r,t:2|
BDBM186077 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#CCO)ccc1F |r,t:2|
BDBM186078 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)F)ccc1F |r,t:2|
BDBM186079 CC(F)(F)c1nc(N)c(nc1Cl)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:26|
BDBM186080 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
BDBM186081 CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:21|
BDBM186082 CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|
BDBM186048 C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
BDBM186047 Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F)C#N |r,t:21|
BDBM186049 CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F |r,c:5|
BDBM60791 CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:20|
BDBM50095988 [I-].CCN1\C(Sc2ccc(OCCCO[N+]([O-])=O)cc12)=C\C=C\c1sc2ccccc2[n+]1CC
BDBM50095989 [I-].CCN1\C(Sc2ccc(Oc3no[n+]([O-])c3-c3ccccc3)cc12)=C\C=C\c1sc2ccccc2[n+]1CC
BDBM50095990 [I-].CCCOc1ccc2S\C(=C/C=C/c3sc4ccccc4[n+]3CC)N(CC)c2c1
BDBM50095987 [I-].CCN1\C(Sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc12)=C\C=C\c1sc2ccccc2[n+]1CC
BDBM50103937 COc1cccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1
BDBM50135201 CC1=NN(C(=O)C1)c1cc(C)ccc1C |t:1|
BDBM50135202 COc1cc(nc(OC)n1)N1N=C(C)CC1=O |t:12|
BDBM50103928 COc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50103930 CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1
BDBM50103932 [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50103961 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC
BDBM50103963 COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1OC
BDBM50103964 [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
BDBM50103968 CN(C)c1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)cc1
BDBM50103969 CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50103970 COc1ccc(CN2C(=O)\C(=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1
BDBM50103971 CN(C)c1ccc(\C=C2/C(=O)N(c3ccccc23)c2ccncc2)cc1
BDBM50103972 CCOC(=O)N1C(=O)\C(=C/c2ccc(cc2)N(C)C)c2ccccc12
BDBM50103976 CN(C)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1
BDBM50103979 CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ncccc23)cc1
BDBM50103980 CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccc(O)cc23)cc1
BDBM50134229 CC1=NN(C(=O)C1)c1ccc(cc1)N(c1ccccc1)c1ccccc1 |t:1|
BDBM50134230 CC1=NN(C(=O)C1)c1ccc(cc1)-n1cccc1 |t:1|
BDBM50134233 CC1=NN(C(=O)C1)c1ccc(cc1)-c1ccccc1 |t:1|
BDBM50134234 COc1ccc(cc1)-c1ccc(cc1)N1N=C(C)CC1=O |t:17|
BDBM50104058 CN(C)c1ccc(\C=C\C=C2/C(=O)N(C)c3ccccc23)cc1
BDBM50104060 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3ccccc23)cc1
BDBM50103981 O=C1N(Cc2ccccc2)c2ccccc2\C1=C\C=C\c1ccccc1
BDBM195584 COc1ccc2nc3ccc(=O)cc3oc2c1
BDBM195585 FCCn1cc(COc2ccc3nc4ccc(=O)cc4oc3c2)nn1
BDBM195588 Ic1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1
BDBM195589 COc1ccc(OCCOCCOc2ccc3nc4ccc(=O)cc4oc3c2)cc1
BDBM195591 Oc1ccc2nc3ccc(=O)cc3oc2c1
BDBM195592 COCCOc1ccc2nc3ccc(=O)cc3oc2c1
BDBM195593 COCCOCCOc1ccc2nc3ccc(=O)cc3oc2c1
BDBM195594 COc1ccc(OCCOc2ccc3nc4ccc(=O)cc4oc3c2)cc1
BDBM195595 BrCCOc1ccc2nc3ccc(=O)cc3oc2c1
BDBM195596 CC(=O)OCCOc1ccc2nc3ccc(=O)cc3oc2c1
BDBM195597 COc1ccc(COc2ccc3nc4ccc(=O)cc4oc3c2)cc1
BDBM195598 COc1cccc(COc2ccc3nc4ccc(=O)cc4oc3c2)c1
BDBM195599 FCCOc1ccc2nc3ccc(=O)cc3oc2c1
BDBM50122575 OC(=O)c1c(O)cc2c3ccccc3[nH]c2c1O
BDBM50096210 Oc1ccc(cc1)-c1cc([nH]n1)-c1c(O)cccc1O
BDBM195600 O=c1ccc2nc3ccc(OC#C)cc3oc2c1
BDBM50104107 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ncccc23)cc1
BDBM50104105 CN(C)c1ccc(\C=C\C=C2/C(=O)N(c3ccccc23)c2ccncc2)cc1
BDBM50104106 CCOC(=O)N1C(=O)\C(=C/C=C/c2ccc(cc2)N(C)C)c2ccccc12
BDBM50104108 [O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50104109 [O-][N+](=O)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50104110 [O-][N+](=O)c1ccc(\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50104111 [O-][N+](=O)c1ccc(\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50135197 CCc1ccccc1N1N=C(C)CC1=O |t:10|
BDBM50135198 CC1=NN(C(=O)C1)c1cccnc1 |t:1|
BDBM50135203 CC1=NN(C(=O)C1)c1cc(F)ccc1C |t:1|
BDBM50139069 COc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
BDBM50104144 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(N)cc3)c3ccccc23)cc1
BDBM50104115 [O-][N+](=O)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
BDBM50104116 Nc1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50103965 [O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)N(Cc3ccc(OCCF)cc3)c3ccccc23)cc1
BDBM50103966 CN(C)c1ccc(\C=C2/C(=O)Nc3ncccc23)cc1
BDBM50104145 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1
BDBM50104034 COc1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50104103 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
BDBM50134228 COc1cccc(c1)N1N=C(C)CC1=O |t:10|
BDBM50134231 CC1=NN(C(=O)C1)c1cccc(COCc2ccccc2)c1 |t:1|
BDBM50091056 C[C@@]1(O)c2c(coc2C(=O)c2c3CCC(=O)c3ccc12)[C@@H](O)CCO |r|
BDBM50091057 C[C@@]1(O)c2c(CCCO)coc2C(=O)c2c3CCC(=O)c3ccc12 |r|
BDBM50091058 C[C@@]1(O)c2c(CCO)coc2C(=O)c2c3CCC(=O)c3ccc12 |r|
BDBM50091059 C[C@]1(O)c2c(coc2C(=O)c2c3CCC(=O)c3ccc12)[C@@H](O)CCO |r|
BDBM50091061 [H][C@@]12CCC(=O)[C@@]1(C)C[C@H](O)C1=C2C(=O)c2occ3c2[C@]1(C)CCC3=O |r,c:12|
BDBM50140172 COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
BDBM200301 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)CCn3cccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200302 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3ccccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200303 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3cccnc3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200304 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)Cc3ncon3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200305 Cc1nc(CS(=O)(=O)CC[C@@H]2OCC[C@@]3(C2COc2c(F)ccc(F)c32)S(=O)(=O)c2ccc(Cl)cc2)no1 |r|
BDBM200306 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccc(=O)[nH]c3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM50104143 CN(C)c1ccc(\C=C\C=C2/C(=O)N(c3ccccc23)c2ccccc2)cc1
BDBM200307 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cccnn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200308 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cnccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200309 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccnnc3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200310 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ncccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200311 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccncn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200312 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3cncnc3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200313 COc1ccc(cn1)S(=O)(=O)CC[C@@H]1OCC[C@@]2(C1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200314 Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)c3ccc[nH]c3=O)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM200315 Nc1ncccc1S(=O)(=O)CC[C@@H]1OCC[C@@]2(C1COc1c(F)ccc(F)c21)S(=O)(=O)c1ccc(Cl)cc1 |r|
BDBM50134235 CC1=NN(C(=O)C1)c1ccc(cc1)-c1cccnc1 |t:1|
BDBM50103927 CN(C)c1ccc(\C=C\C=C2/C(=O)Nc3ccccc23)cc1
BDBM50103929 O=C1Nc2ccccc2\C1=C\C=C\c1ccccc1
BDBM50103931 COc1ccc(CN2C(=O)\C(=C/c3ccc(cc3)N(C)C)c3cccnc23)cc1
BDBM50103933 [O-][N+](=O)c1ccc(\C=C\C=C2\C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50103934 COc1ccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
BDBM50103935 COc1ccc(CN2C(=O)\C(=C\C=C\c3ccc(cc3)[N+]([O-])=O)c3ccccc23)cc1
BDBM50103936 COc1cccc(CN2C(=O)\C(=C/C=C/c3ccc(cc3)[N+]([O-])=O)c3ccccc23)c1
BDBM50104059 CN(C)c1ccc(\C=C\C=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
BDBM50091060 C[C@]12[C@@H](O)C[C@H](O)c3coc(c13)C(=O)c1c3CCC(=O)c3ccc21 |r|
BDBM50095985 [O-]S(=O)(=O)C(F)(F)F.CCN1\C(Sc2ccc(OCCCO[N+]([O-])=O)cc12)=C\C=C\c1sc2ccc(OCCCO[N+]([O-])=O)cc2[n+]1CC
BDBM50095986 [O-]S(=O)(=O)C(F)(F)F.CCN1\C(Sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc12)=C\C=C\c1sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc2[n+]1CC
BDBM50096209 COc1cc(ccc1O)-c1cc([nH]n1)-c1c(O)cccc1O
BDBM50096211 Oc1ccc(cc1O)-c1cc([nH]n1)-c1c(O)cccc1O
BDBM50096212 COc1cc(cc(OC)c1O)-c1cc([nH]n1)-c1c(O)cccc1O
BDBM50152737 Cc1ccc(cc1)-c1cc(NCCNc2cc([nH]n2)-c2cccs2)n[nH]1
BDBM50152738 CN(C)c1ccc(cc1)-c1cc(NCCNc2cc([nH]n2)-c2ccc(cc2)N(C)C)n[nH]1
BDBM50152739 Fc1ccc(cc1)-c1cc(NCCNc2cc([nH]n2)-c2ccc(F)cc2)n[nH]1
BDBM50165321 COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
BDBM50165322 COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC
BDBM50165323 COc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)c(OC)c1OC
BDBM50165324 Oc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
BDBM50165327 Clc1ccc(CC(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
BDBM50165333 COc1cc(OC)cc(c1)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
BDBM50165334 COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
BDBM50165336 COc1ccc(C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)c(OC)c1OC
BDBM50165343 COc1cc(ccc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
BDBM50177781 Nc1nc(NCC2CCCCC2)nc2ccccc12
BDBM50177782 CC(C)Nc1nc(N)c2ccccc2n1
BDBM50177783 CCCNc1nc(N)c2ccccc2n1
BDBM50177784 Nc1nc(NCCc2ccccc2)nc2ccccc12
BDBM50177786 Nc1nc(NCc2cccc(F)c2)nc2ccccc12
BDBM50177787 Nc1nc(NCc2ccc(Br)cc2)nc2ccccc12
BDBM50177788 Nc1nc(NCc2cccc(Br)c2)nc2ccccc12
BDBM50177789 Nc1nc(NCc2ccc(Cl)cc2)nc2ccccc12
BDBM50177791 Nc1nc(NCc2ccc(cc2)C(F)(F)F)nc2ccccc12
BDBM50177792 Nc1nc(NCc2cccc(c2)C(F)(F)F)nc2ccccc12
BDBM50177793 COc1ccc(CNc2nc(N)c3ccccc3n2)cc1
BDBM50177794 COc1cccc(CNc2nc(N)c3ccccc3n2)c1
BDBM50177795 Cc1ccc(CNc2nc(N)c3ccccc3n2)cc1
BDBM50177796 Cc1cccc(CNc2nc(N)c3ccccc3n2)c1
BDBM50177799 Nc1nc(NCc2ccccc2)nc2ccccc12
BDBM50177800 [Na+].[Na+].Oc1ccc2cc(cc(c2c1\N=N\c1ccccc1)S([O-])(=O)=O)S([O-])(=O)=O
BDBM50177805 Nc1nc(NCCc2ccccc2)c2ccccc2n1
BDBM50177807 Nc1nc(NCc2ccc(F)cc2)c2ccccc2n1
BDBM50177808 Nc1nc(NCc2cccc(F)c2)c2ccccc2n1
BDBM50177816 Nc1nc(NCc2cccc(Br)c2)c2ccccc2n1
BDBM50177820 Nc1nc(NCc2cccc(Cl)c2)c2ccccc2n1
BDBM50177821 Nc1nc(NCc2ccc(cc2)C(F)(F)F)c2ccccc2n1
BDBM50177823 Nc1nc(NCc2cccc(c2)C(F)(F)F)c2ccccc2n1
BDBM50177824 COc1ccc(CNc2nc(N)nc3ccccc23)cc1
BDBM50177831 Cc1cccc(CNc2nc(N)nc3ccccc23)c1
BDBM50177832 Nc1nc(NCc2ccccc2)c2ccccc2n1
BDBM50183043 O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-c2ccccc2)-c2ccccc2)-[#6](=O)-c2ccccc-12
BDBM50183044 O=[#6]-1\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-c2ncccn2)-[#6](=O)-c2ccccc-12
BDBM50177809 Nc1nc(NCc2ccc(Br)cc2)c2ccccc2n1
BDBM50177839 CC(C)Nc1nc(N)nc2ccccc12
BDBM50177840 CCCNc1nc(N)nc2ccccc12
BDBM50177843 COc1cccc(CNc2nc(N)nc3ccccc23)c1
BDBM50183042 O=[#6](-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1)-c1ccco1
BDBM50165354 Clc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1
BDBM50177785 Nc1nc(NCc2ccc(F)cc2)nc2ccccc12
BDBM50177790 Nc1nc(NCc2cccc(Cl)c2)nc2ccccc12
BDBM50177801 Nc1nc(NCC2CCCCC2)c2ccccc2n1
BDBM50177818 Nc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1
BDBM50177828 Cc1ccc(CNc2nc(N)nc3ccccc23)cc1
BDBM50165345 COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1OC
BDBM50165344 Oc1ccc(cc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12
BDBM50165346 COc1cc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
BDBM50165347 COc1ccc(\C=C\C(=O)OCC(=O)Nc2c3CCCCc3nc3ccccc23)cc1O
BDBM50165358 O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1c2CCCCc2nc2ccccc12