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539 SMILES Strings for Acetyl-CoA carboxylase 1 (ACC1)

Compound NameSMILES String
BDBM152831 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cnc4=NCC=c4c3)NC(=O)c12 |c:23,t:20|
BDBM152845 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4ccncc4c3)NC(=O)c12
BDBM152846 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4cccnc4c3)NC(=O)c12
BDBM152832 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4NC=CC4N=C3)NC(=O)c12 |c:21,25,t:17|
BDBM152847 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C(NN=C4C#N)C=C3)NC(=O)c12 |c:22,27,t:17|
BDBM152848 COc1ccc2ncc(cc2c1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
BDBM152849 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C(NN=C4C(N)=O)C=C3)NC(=O)c12 |c:22,28,t:17|
BDBM152833 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C=NNC4C(Cl)=C3)NC(=O)c12 |c:20,26,t:17|
BDBM152834 COC1=CC(=CC2NN=CC12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2 |c:4,8,t:2|
BDBM152850 COc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
BDBM152851 CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
BDBM152818 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]c(C)nc4c3)NC(=O)c12
BDBM152819 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nn(C)cc4c3)NC(=O)c12
BDBM152835 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C=NN(C)C4C=C3)NC(=O)c12 |c:20,26,t:17|
BDBM152836 CCC1=CC(=CC2C=NNC12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2 |c:4,7,t:2|
BDBM152852 COc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
BDBM152820 COc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152821 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccnc(N)c4c3)NC(=O)c2n1
BDBM152837 CCC1=NNC2C=CC(=CC12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2 |c:6,8,t:2|
BDBM152838 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C(NN=C4C)C=C3)NC(=O)c12 |c:22,26,t:17|
BDBM152822 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(N)nccc4c3)NC(=O)c2n1
BDBM152823 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccnc(Cl)c4c3)NC(=O)c2n1
BDBM152839 COc1cccc2c(OC)cc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
BDBM152840 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cc4ncccc4[nH]3)NC(=O)c12
BDBM152824 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(Cl)nc4c3)NC(=O)c2n1
BDBM152825 CC(C)(C)Nc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152841 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C=NNC4N=C3)NC(=O)c12 |c:20,25,t:17|
BDBM152826 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cc(C)c4n[nH]cc4c3)NC(=O)c12
BDBM152842 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cnc4ccccc4c3)NC(=O)c12
BDBM152843 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4ncccc4c3)NC(=O)c12
BDBM152827 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4n[nH]cc4c3)NC(=O)c12
BDBM152828 CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4n[nH]cc4c3)NC(=O)c12
BDBM152844 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4cnccc4c3)NC(=O)c12
BDBM152829 Cc1cc(cc2c[nH]nc12)C(=O)N1CCC2(CC1)Cc1cnn(c1C(=O)N2)C(C)(C)C
BDBM152830 Cc1[nH]nc2c(C)cc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(c1C(=O)N2)C(C)(C)C
BDBM152861 CC(C)n1cc2CC3(CCN(CC3)C(=O)C3=CC4C=NNC4C=C3)NC(=O)c2n1 |c:19,24,t:16|
BDBM152862 CC(C)n1cc2CC3(CCN(CC3)C(=O)C3=CC4N=C(C)NC4C=C3)NC(=O)c2n1 |c:25,t:16,19|
BDBM152863 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)C3=CC4C=NNC4C=C3)NC(=O)c2n1 |c:20,25,t:17|
BDBM152884 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(N)n[nH]c4c3)NC(=O)c2n1
BDBM152873 COc1cccc2c(OC)cc(nc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152874 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4cn[nH]c4c3)NC(=O)c2n1
BDBM152885 COc1cc(cc2[nH]ncc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152896 COc1n[nH]c2cc(ccc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152864 CC(C)n1cc2CC3(CCN(CC3)C(=O)C3=CC4C=NNC4C(C)=C3)NC(=O)c2n1 |c:19,25,t:16|
BDBM152865 CC(C)n1cc2CC3(CCN(CC3)C(=O)C3=CC4C(NN=C4C)C(C)=C3)NC(=O)c2n1 |c:21,26,t:16|
BDBM152875 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(n[nH]c4c3)C#N)NC(=O)c2n1
BDBM152886 Cn1[nH]c2ccc(cc2c1=O)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152897 COc1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152866 CC1=CC(=CC2C=NNC12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C |c:3,6,t:1|
BDBM152867 CC1=NNC2C1C=C(C=C2C)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C |c:7,9,t:1|
BDBM152876 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nc(C(N)=O)c4c3)NC(=O)c2n1
BDBM152877 COc1ccc(C)c2[nH]c(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152887 COc1cccc2cc(cnc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152888 CNc1ccc2cc(ccc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152898 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(n[nH]c4c3)C(F)(F)F)NC(=O)c2n1
BDBM152868 COc1ccc2cc(ccc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152899 Cn1[nH]c2cc(ccc2c1=O)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152869 CC1=NNC2C1C=C(C=C2C)C(=O)N1CCC2(CC1)Cc1cn(CC(C)(C)O)nc1C(=O)N2 |c:7,9,t:1|
BDBM152878 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4nc(N)ccc4c3)NC(=O)c2n1
BDBM152889 COc1cccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152853 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C(NC=C4Cl)N=C3)NC(=O)c12 |c:22,26,t:17|
BDBM152870 COc1ccc2ncc(cc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152879 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4cnc(N)cc4c3)NC(=O)c2n1
BDBM152890 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(N)nc4c3)NC(=O)c2n1
BDBM152854 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4NC=C(Cl)C4N=C3)NC(=O)c12 |c:26,t:17,21|
BDBM152871 COc1ccc2ccc(cc2c1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152880 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nc(C#N)c4c3)NC(=O)c2n1
BDBM152891 CNc1cc2cc(ccc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152855 CNC1=NC2C=C(C=NC2N1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2 |c:5,7,t:2|
BDBM152856 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C(NN=C4Cl)C=C3)NC(=O)c12 |c:22,26,t:17|
BDBM152872 COc1cccc2cc(ccc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152881 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nc(N)c4c3)NC(=O)c2n1
BDBM152857 CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4N=C(N)NC4C=C3)NC(=O)c12 |c:26,t:17,20|
BDBM152882 Cc1cc(cc2c(Cl)n[nH]c12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152892 COc1cccc2ncc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152893 CNc1nc2cc(ccc2[nH]1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152894 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]c(N)nc4c3)NC(=O)c2n1
BDBM152858 CNc1cccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
BDBM152859 CNC1=NNC2C=CC(=CC12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2 |c:6,8,t:2|
BDBM152860 CNc1cc2ccc(cc2cn1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
BDBM152883 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ncccc4c3)NC(=O)c2n1
BDBM152895 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3cc(c4[nH]ncc4c3)C(F)(F)F)NC(=O)c2n1
BDBM152905 CNc1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152920 CCN(C)c1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152921 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccnc(NC5CCC5)c4c3)NC(=O)c2n1
BDBM152925 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccnc(NC5COC5)c4c3)NC(=O)c2n1
BDBM152906 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4cc(N)ncc4c3)NC(=O)c2n1
BDBM152907 CNc1cc2ccc(cc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152908 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3cnc4[nH]cc(Cl)c4c3)NC(=O)c2n1
BDBM152909 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nnc4c3)NC(=O)c2n1
BDBM152910 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NC5CC5)nc4c3)NC(=O)c2n1
BDBM152911 CC(C)Nc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152912 CCN(C)c1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152922 CCCNc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152923 COCCNc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152900 COc1cc(cc2c(C)n[nH]c12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152901 CNc1n[nH]c2cc(ccc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152913 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NC5CCC5)nc4c3)NC(=O)c2n1
BDBM152914 COCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152915 CCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152916 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NC5COC5)nc4c3)NC(=O)c2n1
BDBM152902 COc1cc2ccc(cc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152926 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NCC(F)(F)F)nc4c3)NC(=O)c2n1
BDBM152903 CNc1nccc2cc(ccc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152917 Cc1n[nH]c2c(C)cc(cc12)C(=O)N1C2CCC1CC1(C2)Cc2cn(nc2C(=O)N1)C(C)(C)C
BDBM152927 CC(F)(F)CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152918 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccnc(NC5CC5)c4c3)NC(=O)c2n1
BDBM152924 CCNc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152904 COc1nccc2cc(ccc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM152919 CC(C)Nc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM97618 CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(N)=O)cc2)cn1
BDBM97622 CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1 |r|
BDBM97614 CC(C)Oc1ncc(Oc2ccc(CCC(C)NC(C)=O)cc2)cn1
BDBM97624 CC(C)Oc1ccc(Oc2ccc(OC[C@H](C)NC(C)=O)cc2)cc1 |r|
BDBM97617 COC(=O)NC(C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1
BDBM97610 CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)cn1 |r|
BDBM50075317 CCC\C(=N/OCC)C1C(=O)CC(CC(C)SCC)CC1=O |(12.1,-2.31,;10.76,-1.55,;9.43,-2.32,;8.09,-1.55,;8.07,-.01,;9.41,.76,;9.41,2.31,;10.74,3.08,;6.76,-2.34,;5.41,-1.57,;5.41,-.02,;4.08,-2.34,;4.08,-3.89,;2.74,-4.65,;2.76,-6.2,;4.09,-6.97,;1.41,-6.97,;.08,-6.2,;-1.25,-6.98,;5.41,-4.66,;6.76,-3.89,;8.09,-4.66,)|
BDBM50132614 CCO\N=C(/CC)C1C(=O)CC(CC1=O)c1c(C)cc(C)cc1C |(10.22,1.24,;8.68,1.25,;7.89,-.09,;6.35,-.08,;5.58,-1.41,;6.35,-2.75,;7.89,-2.75,;4.04,-1.41,;3.27,-.05,;4.04,1.26,;1.73,-.05,;.96,-1.4,;1.73,-2.74,;3.27,-2.74,;4.04,-4.07,;-.58,-1.38,;-1.35,-.05,;-.58,1.28,;-2.89,-.05,;-3.64,-1.4,;-5.18,-1.4,;-2.89,-2.71,;-1.35,-2.71,;-.58,-4.06,)|
BDBM50132615 CCSC(C)CC1CC(=O)C(\C(CC)=N\OC\C=C\Cl)C(=O)C1 |(.65,-7.48,;1.99,-6.71,;3.32,-7.48,;4.66,-6.69,;5.99,-7.46,;4.63,-5.16,;5.96,-4.4,;5.96,-2.85,;7.3,-2.08,;7.3,-.54,;8.64,-2.85,;9.97,-2.06,;11.31,-2.83,;12.65,-2.06,;9.96,-.52,;11.29,.25,;11.29,1.79,;12.62,2.56,;12.62,4.1,;13.95,4.9,;8.64,-4.4,;9.97,-5.17,;7.3,-5.17,)|
BDBM50132616 CC\C(=N/OC\C=C\Cl)C1C(=O)CC(CC1=O)C1CCOCC1 |(10.74,-1.55,;9.41,-2.32,;8.07,-1.55,;8.06,-.01,;9.39,.76,;9.39,2.3,;10.72,3.07,;10.72,4.61,;12.05,5.41,;6.74,-2.33,;5.4,-1.56,;5.4,-.02,;4.07,-2.33,;4.07,-3.88,;5.4,-4.65,;6.74,-3.88,;8.07,-4.65,;2.74,-4.64,;1.41,-3.87,;.08,-4.63,;.08,-6.17,;1.41,-6.94,;2.75,-6.18,)|
BDBM50132617 CCC\C(=N/OCC)C1C(=O)CC(CC1=O)C1CCCSC1 |(12.1,-2.31,;10.76,-1.55,;9.43,-2.32,;8.09,-1.55,;8.07,-.01,;9.41,.76,;9.41,2.31,;10.74,3.08,;6.76,-2.34,;5.41,-1.57,;5.41,-.02,;4.08,-2.34,;4.08,-3.89,;5.41,-4.66,;6.76,-3.89,;8.09,-4.66,;2.74,-4.65,;2.77,-6.18,;1.43,-6.95,;.1,-6.18,;.1,-4.64,;1.43,-3.88,)|
BDBM50132618 CCC\C(=N/OCC=C)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O
BDBM50189615 CNC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
BDBM50189616 CC(C)Oc1ccc(Oc2ncc(s2)C#CCNC(C)=O)cc1
BDBM50189617 O=C([C@@H]1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12)N1CCOCC1 |r|
BDBM50189618 CC(C)Oc1ccc(Oc2[nH+]c(cs2)C#CC(C)NC(C)=O)cc1
BDBM50189619 CC(N)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
BDBM50189620 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cn1
BDBM50189621 COC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
BDBM50189622 CC(NC(N)=O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
BDBM50189623 CC(C)Oc1ccc(Sc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50189624 CC(C)Sc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50189625 COC(=O)N[C@H](C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
BDBM50189626 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(NC(C)=O)C2CC2)cc1
BDBM50189627 CC(C)Oc1ccc(Oc2ccc(cc2)C#CC(C)NC(C)=O)cc1
BDBM50189628 COC(=O)N[C@@H](C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
BDBM50189629 CC(C)Nc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50189630 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50189631 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
BDBM50189632 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(cc2)C(C)C)s1
BDBM50189633 CC(C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1)N(O)C(N)=O
BDBM50189634 CC(O)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1
BDBM50195015 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CCCCC3)cc2)s1
BDBM50195016 CC(C)NC(=O)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50195017 CC(NC(C)=O)C#Cc1cnc(Oc2cccc(OC3CCOC3)c2)s1
BDBM50195018 COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50195019 CC(NC(C)=O)C#Cc1cnc(Oc2cccc(Oc3ccccc3)c2)s1
BDBM50195020 CC(NC(C)=O)C#Cc1cnc(Oc2cccc(OC3CCCCC3)c2)s1
BDBM50195021 CC(C)CNC(=O)c1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50195022 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OC3CCOC3)cc2)s1
BDBM50195023 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(Oc3ccccn3)cc2)s1
BDBM50195024 CC(C)CNC(=O)Oc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1
BDBM50195026 CCCOc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50195027 CC(C)NC(=O)c1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50195028 COc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1
BDBM50195029 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50195030 COC(=O)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50195031 COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1OC
BDBM50195032 CNC(=O)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50195033 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(Oc3nccs3)cc2)s1
BDBM50195034 CC(C)Cc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50195035 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(O)cc2)s1
BDBM50195036 CC(C)Oc1ccccc1Oc1ncc(s1)C#CC(C)NC(C)=O
BDBM50195037 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OC3CCCCC3)cc2)s1
BDBM50195038 CCOc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
BDBM50195039 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(cc2)S(=O)(=O)C(C)C)s1
BDBM50195040 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CCCC3)cc2)s1
BDBM50195041 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OC3CCCC3)cc2)s1
BDBM50195042 CC(C)COc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1
BDBM50195043 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC(O)=O)cc2)s1
BDBM50195044 CC(C)Oc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1
BDBM50195045 CCOc1ccccc1Oc1ncc(s1)C#CC(C)NC(C)=O
BDBM50195046 COc1cc(OC)cc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1
BDBM50195047 CC(NC(C)=O)C#Cc1cnc(Oc2cccc(OC(F)(F)F)c2)s1
BDBM50195048 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CCOC3)cc2)s1
BDBM50195049 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCCCN(C)C)cc2)s1
BDBM50195050 COc1ccccc1Oc1ncc(s1)C#CC(C)NC(C)=O
BDBM50195025 CC(NC(C)=O)C#Cc1cnc(Oc2ccccc2)s1
BDBM50202688 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)NCC(N)=O)cc1
BDBM50202689 CC(C)CONC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
BDBM50202690 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)C(O)=O)cc1 |w:16.17|
BDBM50202691 CC(Nc1cc(C)on1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0|
BDBM50202692 CC(Nc1onc(C)c1C)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0|
BDBM50202693 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)(C)NC(C)=O)cc1
BDBM50202694 CCC(NC(C)=O)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1 |w:2.6|
BDBM50202695 CC(Nc1cc(C)no1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0|
BDBM50202696 CCn1ccc(NC(C)C#Cc2cnc(Oc3ccc(Oc4ccccc4)cc3)s2)n1 |w:7.7|
BDBM50202697 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)N2CCOCC2)cc1
BDBM50202698 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)N(C)C)cc1
BDBM50202699 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)C2CCOC2)cc1 |w:16.17,21.21|
BDBM50202700 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)ON)cc1
BDBM50202701 COC(=O)C(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1 |w:7.7|
BDBM50202702 CC(Nc1nccs1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0|
BDBM50202703 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)NO)cc1
BDBM50202704 CC(Nc1ccon1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0|
BDBM50202705 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(N)=O)cc1
BDBM50202706 CC(Nc1ncc[nH]1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0|
BDBM50202707 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(NC(C)=O)c2ccccc2)cc1
BDBM50202708 CC(Nc1nc2ccccc2s1)C#Cc1cnc(Oc2ccc(Oc3ccccc3)cc2)s1 |w:1.0|
BDBM50202709 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)C2CCCC2)cc1 |w:16.17|
BDBM50202710 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(CO)NC(C)=O)cc1 |w:16.16|
BDBM50202711 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(=O)[C@@H]2CCCN2)cc1 |w:16.17|
BDBM50203982 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(NC(C)=O)c1 |w:17.18|
BDBM50203983 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(Br)c1 |w:17.18|
BDBM50203984 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(c1)[N+]([O-])=O |w:17.18|
BDBM50203964 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(CN(C)C)c1 |w:17.18|
BDBM50203965 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(C=O)c1 |w:17.18|
BDBM50203966 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(CO)c1 |w:17.18|
BDBM50203967 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(c1)C#N |w:17.18|
BDBM50203968 CC(C)COc1cccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c1C |w:18.19|
BDBM50203969 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(F)c1 |w:17.18|
BDBM50203970 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(C)c1 |w:17.18|
BDBM50203971 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CCOC3)cc2Cl)s1 |w:1.0,19.18|
BDBM50203972 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CCCCC3)cc2Cl)s1 |w:1.0|
BDBM50203973 CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(Cl)c1 |w:16.17|
BDBM50203974 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(CN=O)c1
BDBM50203975 CCCOc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(Cl)c1 |w:16.17|
BDBM50203976 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(Cl)c1 |w:17.18|
BDBM50203977 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(N)c1 |w:17.18|
BDBM50203978 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CC3)cc2Cl)s1 |w:1.0|
BDBM50203979 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OC3CCCCC3)cc2Cl)s1 |w:1.0|
BDBM50203980 CC(C)COc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)c(C=C)c1 |w:17.18|
BDBM50203981 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(OCC3CC3)cc2)s1
BDBM50205243 CC(NC(C)=O)C#Cc1cnc(Oc2ccc(NCC3CC3)c(Cl)c2)s1
BDBM50205244 CC(C)Oc1ccc(Oc2ncc(s2)-c2cc(on2)[C@@H](C)NC(C)=O)cc1
BDBM50205245 CNC(=O)NC(C)C#Cc1cnc(Oc2ccc(OCC3CC3)cc2)s1
BDBM50205246 CC(C)Oc1ccc(Oc2ncc(s2)-c2cc(on2)[C@H](C)NC(C)=O)cc1
BDBM50205247 CC(C)Oc1ccc(Oc2ncc(s2)-c2ncc(s2)C(C)NC(C)=O)cc1
BDBM50205248 CC(C)Oc1ccc(Oc2ncc(s2)-c2cc(on2)C(C)NC(C)=O)cc1
BDBM50205249 COC(=O)NC(C)C#Cc1cnc(Oc2ccc(OCC3CC3)cc2)s1
BDBM50205250 CCC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)cc2)s1
BDBM50209010 COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1
BDBM50302330 CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)C(C)C)cc1
BDBM50302331 CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)C2CC2)cc1
BDBM50302332 CCCCC(=O)NC(C)c1ccc(cc1)-c1ccc(Oc2ccc(OCCC)cc2)nc1
BDBM50302333 CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)COC)cc1
BDBM50302334 CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)c2cn[nH]c2)cc1
BDBM50302335 CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)OCC)cc1
BDBM50302336 CCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
BDBM50302337 CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
BDBM50302338 CC(C)Oc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
BDBM50302339 CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
BDBM50302340 CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1
BDBM50302341 CCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
BDBM50302342 CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1
BDBM50302343 CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(cc2)C(=O)c2ccccc2)cc1
BDBM50302344 COCCc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)cc1
BDBM50302345 CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(cc2)-c2c(O)ccc3CCCCc23)cc1
BDBM50302346 CCOc1cccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)c1
BDBM50302347 COc1cccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)c1
BDBM50302348 CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
BDBM50302349 CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)CCC)cc1
BDBM50302350 CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(=O)CC)cc1
BDBM50302351 CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(C)=O)cc1
BDBM50302352 CC(C)Oc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(C)=O)cc1
BDBM50302353 CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2cccc(Oc3ccccc3)c2)nc1
BDBM50302354 CCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)C(C)NC(C)=O)cc1
BDBM50302355 CC(C)Oc1ccc(Oc2ccc(c(C)c2)-c2ccc(cc2)C(C)NC(C)=O)cc1
BDBM50302356 CC(C)Oc1ccc(Oc2ccc(cc2)-c2ccc(cc2C)C(C)NC(C)=O)cc1
BDBM50302357 CC(C)Oc1ccc(Oc2ccc(c(C)c2)-c2ccc(cc2C)C(C)NC(C)=O)cc1
BDBM50302358 CCCOc1cccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)c2cn[nH]c2)c1
BDBM50302359 CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)OCC)cc1
BDBM50302360 CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)C(C)O)cc1
BDBM50302361 CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)C2CC2)cc1
BDBM50302362 CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)COC)cc1
BDBM50302363 CCCCC(=O)NC(C)c1ccc(cc1)-c1ccc(Oc2ccc(OCCC)cc2)cc1
BDBM50302364 CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)C(C)C)cc1
BDBM50302365 CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)CCC)cc1
BDBM50302366 CC(NC(C)=O)c1ccc(cc1)-c1ccc(Oc2cccc(Oc3ccccc3)c2)cc1
BDBM50302367 CCCOc1ccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(=O)CC)cc1
BDBM50302368 CCCOc1cccc(Oc2ccc(cc2)-c2ccc(cc2)C(C)NC(C)=O)c1
BDBM50302369 CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)[C@H](C)NC(C)=O)cc1 |r|
BDBM50302370 CCCOc1ccc(Oc2ccc(cn2)-c2ccc(cc2)[C@@H](C)NC(C)=O)cc1 |r|
BDBM50311816 CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)N1CCN(CC1)C(=O)c1cc(nc(c1)-c1ccc(C)cc1)-c1ccc(C)cc1
BDBM50314885 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4c(C)n[nH]c4c3)CC(=O)c12
BDBM50314886 CCc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(C)c(C)cc1O2
BDBM50314887 CCc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1c(OC)cccc1O2
BDBM50314888 COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c12
BDBM50314889 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)C(N)=O)CC(=O)c12
BDBM50314890 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc[nH]c4c3)CC(=O)c12
BDBM50314891 COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4nc[nH]c4c3)CC(=O)c12
BDBM50314892 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12
BDBM50314893 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nn[nH]c4c3)CC(=O)c12
BDBM50314894 CNC(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1c(OC)cccc1O2
BDBM50314895 COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]c(cc4c3)C(N)=O)CC(=O)c12
BDBM50314896 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccccc3)CC(=O)c12
BDBM50314897 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccccn3)CC(=O)c12
BDBM50314898 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3cccnc3)CC(=O)c12
BDBM50314899 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccncc3)CC(=O)c12
BDBM50314900 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccnnc3)CC(=O)c12
BDBM50314901 COc1cccc2OC3(CCN(CC3)C(=O)c3ccc4nc([nH]c4c3)-c3ccn(C)n3)CC(=O)c12
BDBM50314902 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)C(O)=O
BDBM50314903 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cn[nH]c1
BDBM50314904 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cnn(C)c1
BDBM50314905 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1cc[nH]n1
BDBM50314906 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccn(C)n1
BDBM50314907 Cc1cc(n[nH]1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
BDBM50314908 Cc1ccc2cc(CC3CCN(CC3)C(=O)c3ccnc4ccccc34)ccc2n1
BDBM50314909 Cc1ccc2cc(CC3CCN(CC3)C(=O)c3c4ccccc4cc4ccccc34)ccc2n1
BDBM50314910 Cc1ccc2cc(CC3CCN(CC3)C(=O)c3cccc4nc(ccc34)-c3ccccc3)ccc2n1
BDBM50314911 Cc1ccc2cc(CC3CCN(CC3)C(=O)c3cccc4cn[nH]c34)ccc2n1
BDBM50314912 Cc1ccc2cc(CC3CCN(CC3)C(=O)c3cccc(c3)-c3cn[nH]c3)ccc2n1
BDBM50314913 Cc1ccc2cc(CC3CCN(CC3)C(=O)c3cccc(c3)-c3cc[nH]n3)ccc2n1
BDBM50314914 Cc1cc2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c2cc1C
BDBM50314915 Cc1ccc2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c2c1
BDBM50314916 Cc1ccc2C(=O)CC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)Oc2c1
BDBM50314917 COc1ccc2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c2c1
BDBM50314918 Clc1ccc2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c2c1
BDBM50314919 Cc1cc(C)c2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c2c1
BDBM50314920 COc1cccc2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c12
BDBM50314921 COc1c(Cl)ccc2OC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)CC(=O)c12
BDBM50314922 COc1ccc2C(=O)CC3(CCN(CC3)C(=O)c3cccc4cn[nH]c34)Oc2c1
BDBM50314923 O=C(N1CCC2(CC1)CC(=O)c1ccc(cc1O2)-c1ccccc1)c1cccc2cn[nH]c12
BDBM50314924 Cc1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2cc1C
BDBM50314925 COc1cccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
BDBM50314926 Cc1n[nH]c2cc(ccc12)C(=O)N1CCC2(CC1)CC(=O)c1cc(C)c(C)cc1O2
BDBM50314927 Cc1nc(co1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
BDBM50314928 Cc1ncc(o1)-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
BDBM50314929 Cc1noc(C)c1-c1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2c1
BDBM50314930 Cn1ccc(n1)-c1nc2ccc(cc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ncc1O2)-c1cnn(C)c1
BDBM50314931 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ncc1O2)-c1cnn(C)c1
BDBM50314932 COc1cc2C(=O)CC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)Oc2cn1
BDBM50314933 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1ncccc1O2
BDBM50314934 Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1ncccc1O2
BDBM50314935 Cc1ccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2n1
BDBM50314936 Cc1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1ncccc1O2
BDBM50314937 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nc(N)ccc1O2
BDBM50314938 CC(C)Oc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
BDBM50314939 COc1nc(C)cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
BDBM50314940 CC(C)COc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
BDBM50314941 COc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
BDBM50314942 CCOc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c12
BDBM50314943 CC(C)Oc1nccc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c12
BDBM50338559 CCNC(=O)Nc1sc2cc(C)ccc2c1C(=O)N1CCN(CC1)C1CCN(CC1)C(=O)C(C)(C)C(F)(F)F
BDBM50332544 CC(C)OC1CN=C(Oc2ccc(CCC(C)NC(C)=O)cc2)C=N1 |c:24,t:6|
BDBM50332545 CC(C)Oc1ccc(Oc2ccc(CCC(C)NC(C)=O)cc2)nn1
BDBM50332547 CC(C)Oc1ccc(Oc2ccc(CC[C@@H](C)NC(C)=O)cc2)cn1 |r|
BDBM50332549 CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(C)=O)cc2)nc1 |r|
BDBM50332552 CC(CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1)NC(C)=O
BDBM50332553 CC(=O)NCCCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1
BDBM50332554 CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cn1 |r,wU:10.13,wD:7.6,(36.32,-14.16,;34.99,-14.93,;34.99,-16.47,;33.65,-14.16,;32.32,-14.93,;30.99,-14.16,;29.65,-14.92,;28.32,-14.16,;28.32,-12.61,;26.98,-11.84,;25.66,-12.62,;25.66,-14.16,;26.99,-14.92,;24.32,-11.84,;22.99,-12.63,;23,-14.18,;21.66,-14.95,;20.33,-14.18,;18.99,-14.95,;17.66,-14.18,;16.33,-14.94,;14.99,-14.18,;13.66,-14.94,;13.66,-16.48,;15,-17.25,;16.33,-16.48,;20.33,-12.63,;21.66,-11.86,)|
BDBM50332555 CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OC2CCCC2)cc1 |r,wU:10.13,wD:7.6,(11.2,-15.46,;9.86,-16.23,;9.86,-17.77,;8.53,-15.46,;7.2,-16.23,;5.86,-15.46,;4.52,-16.22,;3.19,-15.46,;3.19,-13.92,;1.86,-13.14,;.53,-13.92,;.53,-15.46,;1.86,-16.23,;-.81,-13.14,;-2.14,-13.93,;-3.47,-13.17,;-4.8,-13.94,;-4.8,-15.48,;-6.14,-16.25,;-7.38,-15.33,;-7.36,-13.79,;-8.83,-13.3,;-9.74,-14.54,;-8.85,-15.79,;-3.47,-16.25,;-2.13,-15.48,)|
BDBM50332556 CC(=O)NCCC[C@H]1OC[C@@H](CO1)Oc1ccc(OCc2ccccc2)cc1 |r,wU:10.13,wD:7.6,(38.26,-7.62,;36.93,-8.39,;36.93,-9.93,;35.6,-7.62,;34.26,-8.39,;32.93,-7.62,;31.59,-8.38,;30.26,-7.62,;30.26,-6.08,;28.92,-5.31,;27.6,-6.08,;27.6,-7.62,;28.93,-8.39,;26.26,-5.3,;24.93,-6.09,;23.59,-5.33,;22.27,-6.1,;22.26,-7.64,;20.93,-8.41,;19.6,-7.64,;18.26,-8.41,;16.93,-7.64,;15.59,-8.41,;15.59,-9.95,;16.93,-10.72,;18.26,-9.95,;23.6,-8.41,;24.93,-7.64,)|
BDBM50332557 CC(=O)NCCCC1OCC(Cc2cccc(OCC3CCC3)c2)CO1 |(58.42,-1,;57.09,-1.77,;57.09,-3.31,;55.76,-1,;54.42,-1.77,;53.09,-1,;51.76,-1.77,;50.42,-1,;49.09,-1.77,;47.76,-1.01,;47.76,.54,;46.42,1.3,;45.09,.53,;43.75,1.29,;42.43,.52,;42.42,-1.02,;43.76,-1.79,;43.76,-3.33,;42.42,-4.1,;42.42,-5.64,;41.34,-6.73,;42.43,-7.82,;43.52,-6.73,;45.09,-1.02,;49.08,1.31,;50.42,.54,)|
BDBM50332558 CC(=O)NCCCC1OCC(Cc2cccc(OCCc3ccccc3)c2)CO1 |(48.06,4.95,;46.72,4.18,;46.72,2.64,;45.39,4.95,;44.06,4.18,;42.72,4.95,;41.39,4.18,;40.05,4.95,;38.72,4.18,;37.39,4.94,;37.39,6.49,;36.05,7.25,;34.72,6.48,;33.39,7.24,;32.06,6.47,;32.06,4.93,;33.39,4.16,;33.39,2.62,;32.06,1.85,;32.05,.31,;30.72,-.46,;29.39,.31,;28.06,-.46,;28.06,-2,;29.4,-2.77,;30.73,-2,;34.73,4.93,;38.71,7.26,;40.05,6.49,)|
BDBM50332559 CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CC3)c2)CO1 |(27.94,3.91,;26.61,3.14,;26.61,1.6,;25.28,3.91,;23.94,3.14,;22.61,3.91,;21.27,3.14,;19.94,3.91,;18.61,3.14,;17.28,3.9,;17.28,5.45,;15.94,6.21,;14.61,5.44,;13.27,6.2,;11.94,5.43,;11.94,3.88,;13.28,3.11,;13.28,1.57,;11.94,.8,;11.94,-.74,;10.61,-1.51,;9.07,-1.51,;9.84,-2.84,;14.61,3.89,;18.6,6.22,;19.94,5.45,)|
BDBM50332560 CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CCCC3)c2)CO1 |(9.05,3.9,;7.72,3.13,;7.72,1.59,;6.38,3.9,;5.05,3.13,;3.72,3.9,;2.38,3.13,;1.05,3.9,;-.29,3.13,;-1.62,3.89,;-1.62,5.44,;-2.95,6.2,;-4.28,5.43,;-5.62,6.19,;-6.95,5.42,;-6.95,3.88,;-5.62,3.11,;-5.62,1.57,;-6.95,.8,;-6.95,-.74,;-8.19,-1.66,;-9.66,-1.2,;-10.55,-2.46,;-9.63,-3.7,;-8.17,-3.2,;-4.28,3.88,;-.29,6.21,;1.05,5.44,)|
BDBM50332561 CC(=O)NCCCC1OCC(CO1)c1cccc2cc(OC3CCCC3)ccc12 |(24.94,-24.48,;24.15,-23.15,;24.9,-21.81,;22.61,-23.18,;21.83,-21.85,;20.29,-21.88,;19.5,-20.55,;17.96,-20.57,;17.2,-21.92,;15.67,-21.94,;14.88,-20.62,;15.62,-19.27,;17.16,-19.25,;13.34,-20.65,;12.55,-19.33,;11,-19.36,;10.26,-20.71,;11.05,-22.02,;10.31,-23.37,;11.1,-24.69,;10.35,-26.03,;8.82,-26.06,;7.89,-24.83,;6.43,-25.33,;6.46,-26.87,;7.93,-27.32,;12.65,-24.66,;13.4,-23.32,;12.6,-22,)|
BDBM50332562 CC(C)Oc1ccc(Oc2ncc(s2)C#C[C@H](C)NC(C)=O)cc1 |r|
BDBM50332563 CC(C)Oc1ccc(O[C@H]2CC[C@H](CC[C@H](C)NC(C)=O)CC2)cn1 |r,wU:15.15,9.8,wD:12.12,(-5.64,-6.46,;-4.31,-5.7,;-4.3,-4.16,;-2.97,-6.47,;-1.64,-5.7,;-.3,-6.47,;1.03,-5.7,;1.03,-4.15,;2.36,-3.37,;3.7,-4.14,;5.02,-3.36,;6.35,-4.11,;6.36,-5.66,;7.7,-6.43,;9.03,-5.65,;10.37,-6.41,;10.35,-7.95,;11.7,-5.63,;13.03,-6.4,;14.36,-5.62,;13.04,-7.94,;5.03,-6.44,;3.7,-5.67,;-.31,-3.38,;-1.64,-4.15,)|
BDBM50332564 CC(C)Oc1ccc(O[C@H]2CC[C@@H](CC2)OC[C@H](C)NC(C)=O)cn1 |r,wU:17.18,9.8,wD:12.15,(37.18,-12.08,;38.51,-11.31,;38.51,-9.77,;39.84,-12.08,;41.18,-11.31,;42.51,-12.08,;43.85,-11.31,;43.84,-9.77,;45.17,-8.99,;46.51,-9.75,;47.83,-8.97,;49.17,-9.73,;49.18,-11.28,;47.85,-12.05,;46.51,-11.29,;50.52,-12.04,;51.85,-11.26,;53.18,-12.03,;53.17,-13.56,;54.51,-11.25,;55.85,-12.01,;57.18,-11.24,;55.86,-13.55,;42.51,-9,;41.18,-9.77,)|
BDBM50355917 CCN(CC)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12
BDBM50355918 CCN(CC)C(=O)c1cccc(c1)N1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12
BDBM50355919 CCN1Cc2ccc(cc2C1=O)N1CCN(CC1)C(=O)c1c2ccccc2cc2ccccc12
BDBM50355920 CCN1CCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O
BDBM50355921 CCN1CCCC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C1=O
BDBM50355922 CC1CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C(=O)O1
BDBM50355923 CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c3ccccc3cc3ccccc23)C(=O)O1
BDBM50355924 CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2csc3ccccc23)C(=O)O1
BDBM50355925 Cc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
BDBM50355926 CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(N)sc3ccccc23)C(=O)O1
BDBM50355927 CC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
BDBM50355928 CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C(=O)O1
BDBM50355929 CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
BDBM50355930 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
BDBM50355931 CC1(C)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(=O)NC3CCCCC3)sc3ccccc23)C(=O)O1
BDBM50355932 CCCS(=O)(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
BDBM50355933 CCN(CC)C(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
BDBM50355934 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r|
BDBM50355935 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCC[C@@]2(CC(C)(C)OC2=O)C1 |r|
BDBM50350735 Cc1cc(cc(n1)-c1ccccc1)C(=O)NC[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 |r,wU:20.22,wD:17.18,(34.77,-24.46,;36.11,-23.69,;36.12,-22.16,;37.45,-21.39,;38.78,-22.15,;38.78,-23.69,;37.44,-24.46,;40.11,-24.45,;40.11,-25.99,;41.45,-26.76,;42.78,-25.99,;42.77,-24.44,;41.44,-23.68,;37.45,-19.85,;38.79,-19.08,;36.12,-19.08,;36.12,-17.54,;34.79,-16.77,;34.79,-15.23,;33.46,-14.45,;32.13,-15.23,;30.79,-14.46,;30.79,-12.92,;29.45,-12.15,;29.45,-10.61,;28.12,-12.93,;26.79,-12.16,;25.46,-12.94,;26.78,-10.62,;25.45,-11.39,;32.13,-16.77,;33.46,-17.53,)|
BDBM50350737 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(Cl)nc3ccccc23)CC1 |r,wU:9.8,wD:12.12,(-8.21,-30.81,;-6.87,-30.03,;-6.88,-28.49,;-8.21,-29.26,;-5.54,-30.8,;-4.2,-30.03,;-4.21,-28.48,;-2.87,-30.79,;-2.86,-32.33,;-1.53,-33.1,;-.2,-32.32,;1.13,-33.1,;1.13,-34.64,;2.47,-35.41,;2.46,-36.95,;3.8,-37.73,;5.13,-36.96,;3.8,-39.27,;5.13,-40.03,;5.13,-41.57,;6.47,-42.33,;3.79,-42.34,;2.46,-41.57,;1.13,-42.33,;-.19,-41.56,;-.19,-40.02,;1.14,-39.26,;2.46,-40.03,;-.2,-35.4,;-1.53,-34.64,)|
BDBM50350739 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2ccncc2)CC1 |r,wU:9.8,wD:12.12,(19.57,-29.47,;20.91,-28.69,;20.9,-27.15,;19.57,-27.92,;22.24,-29.46,;23.58,-28.68,;23.57,-27.14,;24.91,-29.45,;24.92,-30.99,;26.26,-31.76,;27.59,-30.98,;28.92,-31.76,;28.92,-33.3,;30.25,-34.07,;30.25,-35.62,;31.58,-36.39,;32.92,-35.62,;31.58,-37.93,;32.91,-38.69,;32.91,-40.23,;31.57,-41,;30.24,-40.23,;28.92,-40.99,;27.59,-40.23,;27.59,-38.69,;28.93,-37.93,;30.25,-38.7,;34.24,-40.99,;34.24,-42.54,;35.58,-43.3,;36.91,-42.53,;36.91,-40.98,;35.57,-40.22,;27.59,-34.06,;26.26,-33.3,)|
BDBM50350740 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cn[nH]c2)CC1 |r,wU:9.8,wD:12.12,(32.95,-30.15,;34.28,-29.38,;34.28,-27.84,;32.94,-28.61,;35.62,-30.14,;36.95,-29.37,;36.95,-27.83,;38.29,-30.14,;38.29,-31.68,;39.63,-32.44,;40.96,-31.67,;42.29,-32.44,;42.29,-33.98,;43.62,-34.76,;43.62,-36.3,;44.95,-37.07,;46.29,-36.3,;44.95,-38.61,;46.28,-39.37,;46.29,-40.91,;44.95,-41.68,;43.61,-40.91,;42.29,-41.67,;40.97,-40.91,;40.97,-39.37,;42.3,-38.61,;43.62,-39.38,;47.62,-41.67,;47.79,-43.2,;49.3,-43.52,;50.06,-42.18,;49.03,-41.04,;40.96,-34.75,;39.63,-33.98,)|
BDBM50350741 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCNCC2)CC1 |r,wU:9.8,wD:12.12,(47.1,-29.44,;48.43,-28.67,;48.42,-27.13,;47.09,-27.9,;49.76,-29.44,;51.1,-28.66,;51.09,-27.12,;52.43,-29.43,;52.44,-30.97,;53.78,-31.74,;55.11,-30.96,;56.44,-31.74,;56.44,-33.28,;57.77,-34.05,;57.77,-35.59,;59.1,-36.37,;60.44,-35.6,;59.1,-37.91,;60.43,-38.67,;60.44,-40.21,;59.09,-40.98,;57.76,-40.21,;56.44,-40.97,;55.11,-40.21,;55.11,-38.67,;56.45,-37.9,;57.77,-38.68,;61.76,-40.97,;61.77,-42.52,;63.1,-43.28,;64.44,-42.51,;64.43,-40.96,;63.09,-40.2,;55.11,-34.04,;53.78,-33.28,)|
BDBM50350742 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2ccc(CN)cc2)CC1 |r,wU:9.8,wD:12.12,(10.59,-6.18,;9.25,-5.41,;10.02,-4.07,;8.48,-6.74,;7.92,-4.64,;6.58,-5.41,;6.58,-6.95,;5.25,-4.64,;3.92,-5.41,;2.58,-4.64,;1.25,-5.41,;-.08,-4.64,;-.08,-3.1,;-1.42,-2.33,;-1.42,-.79,;-2.75,-.02,;-4.09,-.79,;-2.75,1.52,;-4.09,2.29,;-4.09,3.83,;-2.75,4.6,;-1.42,3.83,;-.08,4.6,;1.25,3.83,;1.25,2.29,;-.08,1.52,;-1.42,2.29,;-5.42,4.6,;-6.75,3.83,;-8.09,4.6,;-8.09,6.14,;-9.42,6.91,;-10.75,6.14,;-6.75,6.91,;-5.42,6.14,;1.25,-2.33,;2.58,-3.1,)|
BDBM50350743 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2ccc(cc2)C(O)=O)CC1 |r,wU:9.8,wD:12.12,(23.09,6.93,;24.42,7.7,;24.42,9.25,;23.08,8.47,;25.76,6.94,;27.09,7.71,;27.09,9.25,;28.43,6.94,;28.43,5.4,;29.77,4.64,;31.1,5.41,;32.43,4.64,;32.43,3.1,;33.76,2.32,;33.76,.78,;35.09,.01,;36.43,.78,;35.09,-1.53,;36.42,-2.29,;36.43,-3.83,;35.09,-4.6,;33.75,-3.83,;32.43,-4.59,;31.11,-3.83,;31.11,-2.29,;32.44,-1.53,;33.76,-2.3,;37.75,-4.59,;37.75,-6.14,;39.09,-6.9,;40.42,-6.13,;40.42,-4.58,;39.08,-3.82,;41.76,-6.9,;43.09,-6.12,;41.77,-8.44,;31.1,2.33,;29.77,3.1,)|
BDBM50350744 CN(C)CCn1cc(cn1)-c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:20.21,wD:17.17,(63.93,-12.54,;62.4,-12.38,;61.49,-13.63,;61.77,-10.98,;60.24,-10.82,;59.61,-9.41,;58.11,-9.09,;57.94,-7.57,;59.35,-6.94,;60.38,-8.08,;56.61,-6.81,;56.61,-5.27,;55.28,-4.51,;55.28,-2.97,;56.61,-2.2,;53.95,-2.2,;53.95,-.66,;52.61,.12,;52.61,1.66,;51.28,2.43,;49.96,1.66,;48.62,2.42,;48.61,3.96,;47.28,4.73,;47.27,6.27,;45.95,3.96,;44.61,4.72,;43.28,3.95,;44.6,6.26,;43.27,5.49,;49.96,.12,;51.28,-.65,;53.95,-5.28,;52.62,-4.51,;51.29,-5.27,;51.29,-6.81,;52.61,-7.57,;53.94,-6.81,;55.27,-7.58,)|
BDBM50350745 CN(C)CCN1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(5.51,-31.62,;5.5,-30.07,;6.83,-29.3,;4.16,-29.31,;4.16,-27.77,;2.82,-27,;1.49,-27.77,;.15,-27.01,;.15,-25.46,;1.48,-24.69,;2.81,-25.45,;-1.18,-24.7,;-1.18,-23.16,;-2.51,-22.4,;-2.51,-20.86,;-1.18,-20.09,;-3.85,-20.08,;-3.84,-18.54,;-5.18,-17.77,;-5.18,-16.23,;-6.51,-15.45,;-7.84,-16.23,;-9.18,-15.46,;-9.18,-13.92,;-10.53,-13.15,;-10.54,-11.61,;-11.85,-13.93,;-13.19,-13.16,;-14.52,-13.94,;-13.2,-11.62,;-14.53,-12.39,;-7.84,-17.77,;-6.51,-18.53,;-3.85,-23.17,;-5.17,-22.4,;-6.5,-23.16,;-6.5,-24.7,;-5.18,-25.46,;-3.85,-24.7,;-2.52,-25.47,)|
BDBM50350746 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCO)CC2)CC1 |r,wU:9.8,wD:12.12,(5.98,-14.79,;7.31,-14.02,;7.31,-12.48,;5.97,-13.25,;8.65,-14.79,;9.98,-14.01,;9.98,-12.47,;11.32,-14.78,;11.32,-16.32,;12.66,-17.09,;13.99,-16.31,;15.32,-17.09,;15.32,-18.63,;16.65,-19.4,;16.65,-20.94,;17.98,-21.71,;19.32,-20.94,;17.98,-23.25,;19.31,-24.01,;19.32,-25.55,;17.98,-26.33,;16.64,-25.55,;15.32,-26.31,;14,-25.55,;14,-24.01,;15.33,-23.25,;16.65,-24.02,;20.64,-26.32,;20.65,-27.86,;21.98,-28.63,;23.31,-27.85,;24.65,-28.62,;24.66,-30.16,;25.99,-30.92,;23.31,-26.3,;21.97,-25.54,;13.99,-19.39,;12.66,-18.63,)|
BDBM50350747 CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(43.4,-32.84,;43.39,-31.3,;44.72,-30.52,;42.06,-30.53,;42.05,-28.99,;40.71,-28.23,;39.38,-29,;38.05,-28.23,;38.04,-26.69,;39.37,-25.92,;40.71,-26.68,;36.72,-25.92,;36.71,-24.39,;35.38,-23.63,;35.38,-22.09,;36.72,-21.32,;34.05,-21.31,;34.05,-19.77,;32.72,-19,;32.72,-17.46,;31.39,-16.68,;30.06,-17.46,;28.73,-16.7,;28.72,-15.15,;27.38,-14.39,;27.38,-12.85,;26.05,-15.16,;24.72,-14.4,;23.38,-15.17,;24.71,-12.86,;23.38,-13.62,;30.06,-19,;31.39,-19.77,;34.05,-24.39,;32.73,-23.62,;31.4,-24.38,;31.4,-25.92,;32.72,-26.69,;34.04,-25.93,;35.38,-26.7,)|
BDBM50350748 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN)CC2)CC1 |r,wU:9.8,wD:12.12,(42.97,-14.06,;44.3,-13.29,;44.3,-11.75,;42.96,-12.52,;45.64,-14.05,;46.97,-13.28,;46.97,-11.74,;48.31,-14.05,;48.31,-15.59,;49.65,-16.35,;50.98,-15.58,;52.31,-16.35,;52.31,-17.89,;53.64,-18.67,;53.64,-20.21,;54.97,-20.98,;56.31,-20.21,;54.97,-22.52,;56.3,-23.28,;56.31,-24.82,;54.97,-25.6,;53.63,-24.82,;52.31,-25.58,;50.99,-24.82,;50.99,-23.28,;52.32,-22.52,;53.64,-23.29,;57.63,-25.58,;57.64,-27.13,;58.97,-27.89,;60.3,-27.12,;61.64,-27.89,;61.65,-29.43,;62.98,-30.19,;60.3,-25.57,;58.96,-24.81,;50.98,-18.66,;49.65,-17.89,)|
BDBM50350749 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CN)CC2)CC1 |r,wU:9.8,wD:12.12,(-9.87,-35.11,;-8.54,-34.34,;-8.54,-32.8,;-9.88,-33.57,;-7.2,-35.11,;-5.87,-34.33,;-5.87,-32.79,;-4.53,-35.1,;-4.53,-36.64,;-3.19,-37.41,;-1.86,-36.63,;-.53,-37.41,;-.53,-38.95,;.8,-39.72,;.8,-41.26,;2.13,-42.03,;3.47,-41.26,;2.13,-43.57,;3.46,-44.33,;3.47,-45.87,;2.13,-46.65,;.79,-45.87,;-.53,-46.63,;-1.85,-45.87,;-1.85,-44.33,;-.52,-43.57,;.8,-44.34,;4.79,-46.64,;4.79,-48.18,;6.13,-48.95,;7.46,-48.17,;8.8,-48.94,;8.81,-50.48,;7.46,-46.62,;6.12,-45.86,;-1.86,-39.71,;-3.19,-38.95,)|
BDBM50350750 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN3CC(O)C3)CC2)CC1 |r,wU:9.8,wD:12.12,(30.79,-33.91,;32.12,-33.14,;32.12,-31.6,;30.78,-32.37,;33.46,-33.9,;34.79,-33.13,;34.79,-31.59,;36.13,-33.9,;36.13,-35.44,;37.47,-36.2,;38.8,-35.43,;40.12,-36.2,;40.12,-37.74,;41.46,-38.51,;41.46,-40.05,;42.79,-40.83,;44.12,-40.06,;42.79,-42.37,;44.12,-43.13,;44.12,-44.66,;42.78,-45.44,;41.45,-44.67,;40.12,-45.43,;38.8,-44.66,;38.8,-43.12,;40.13,-42.36,;41.46,-43.13,;45.45,-45.43,;45.45,-46.97,;46.78,-47.74,;48.12,-46.97,;49.45,-47.73,;50.78,-46.96,;52.12,-47.72,;52.52,-49.2,;54.01,-48.8,;55.35,-49.57,;53.61,-47.31,;48.11,-45.42,;46.77,-44.66,;38.8,-38.51,;37.47,-37.74,)|
BDBM50350751 CCOC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN(C)C)CC2)CC1 |r,wU:7.6,wD:10.10,(-8.16,2.85,;-6.83,3.62,;-5.49,2.85,;-4.16,3.62,;-4.16,5.16,;-2.83,2.85,;-2.82,1.31,;-1.49,.55,;-.15,1.32,;1.18,.55,;1.19,-.99,;2.52,-1.76,;2.53,-3.3,;3.87,-4.06,;5.2,-3.28,;3.88,-5.6,;5.21,-6.36,;5.22,-7.91,;3.89,-8.68,;2.55,-7.91,;1.22,-8.69,;-.11,-7.92,;-.11,-6.38,;1.22,-5.61,;2.55,-6.37,;6.56,-8.67,;6.55,-10.21,;7.88,-10.97,;9.22,-10.2,;10.55,-10.97,;10.55,-12.51,;11.88,-13.28,;11.88,-14.82,;13.22,-12.51,;9.22,-8.66,;7.88,-7.89,;-.15,-1.77,;-1.48,-1,)|
BDBM50350752 CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC3CCOCC3)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(33.6,-14.34,;33.6,-12.8,;34.93,-12.03,;32.26,-12.03,;32.26,-10.49,;30.93,-9.72,;29.59,-10.48,;28.26,-9.72,;28.27,-8.19,;29.59,-7.4,;30.93,-8.17,;26.93,-7.42,;26.92,-5.87,;25.59,-5.11,;25.58,-3.57,;26.91,-2.8,;24.24,-2.81,;24.23,-1.27,;22.9,-.51,;22.89,1.04,;21.56,1.8,;20.22,1.03,;18.89,1.8,;18.89,3.34,;17.55,4.11,;17.55,5.65,;16.22,3.34,;14.88,4.1,;14.89,5.65,;13.56,6.41,;12.22,5.65,;12.22,4.11,;13.56,3.33,;20.23,-.51,;21.57,-1.28,;24.26,-5.88,;22.93,-5.12,;21.6,-5.89,;21.6,-7.43,;22.93,-8.21,;24.26,-7.43,;25.6,-8.19,)|
BDBM50350753 CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OCC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(58.23,-15.48,;58.23,-13.94,;59.57,-13.17,;56.9,-13.17,;56.9,-11.63,;55.57,-10.86,;54.23,-11.62,;52.9,-10.86,;52.91,-9.33,;54.23,-8.54,;55.57,-9.31,;51.57,-8.56,;51.56,-7.01,;50.23,-6.25,;50.22,-4.71,;51.55,-3.94,;48.88,-3.95,;48.87,-2.41,;47.54,-1.65,;47.53,-.1,;46.2,.66,;44.86,-.11,;43.53,.66,;43.53,2.2,;42.19,2.97,;42.19,4.51,;40.86,2.2,;39.52,2.96,;38.19,2.19,;36.86,2.96,;38.19,.65,;36.85,1.43,;44.87,-1.65,;46.2,-2.42,;48.9,-7.03,;47.57,-6.26,;46.24,-7.03,;46.24,-8.58,;47.57,-9.35,;48.9,-8.57,;50.24,-9.33,)|
BDBM50350754 CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](COC(=O)NC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(13.42,-34.17,;13.42,-32.63,;14.76,-31.86,;12.09,-31.86,;12.09,-30.32,;10.76,-29.55,;9.42,-30.32,;8.09,-29.56,;8.1,-28.02,;9.42,-27.24,;10.75,-28.01,;6.76,-27.26,;6.75,-25.71,;5.42,-24.95,;5.41,-23.41,;6.74,-22.63,;4.07,-22.65,;4.06,-21.11,;2.73,-20.34,;2.72,-18.8,;1.39,-18.04,;.05,-18.81,;-1.28,-18.04,;-1.29,-16.5,;-2.62,-15.73,;-2.62,-14.19,;-3.95,-16.5,;-5.29,-15.73,;-5.29,-14.19,;-6.62,-16.5,;-6.62,-14.96,;.06,-20.35,;1.39,-21.12,;4.09,-25.72,;2.76,-24.96,;1.43,-25.73,;1.43,-27.27,;2.76,-28.04,;4.09,-27.26,;5.43,-28.03,)|
BDBM50350755 CN(C)CCOC1CN(C1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:20.21,wD:17.17,(31.97,-47.6,;30.63,-46.83,;30.63,-45.29,;29.3,-47.6,;27.96,-46.83,;26.63,-47.6,;25.29,-46.83,;23.81,-47.23,;23.42,-45.76,;24.9,-45.35,;22.09,-44.99,;22.09,-43.46,;20.76,-42.69,;20.76,-41.15,;22.1,-40.39,;19.43,-40.38,;19.43,-38.84,;18.1,-38.07,;18.1,-36.53,;16.77,-35.75,;15.44,-36.53,;14.1,-35.76,;14.1,-34.22,;12.76,-33.45,;12.75,-31.91,;11.43,-34.23,;10.09,-33.46,;8.76,-34.24,;10.09,-31.92,;8.75,-32.69,;15.44,-38.07,;16.77,-38.83,;19.43,-43.46,;18.11,-42.69,;16.77,-43.45,;16.77,-44.99,;18.1,-45.76,;19.42,-45,;20.75,-45.77,)|
BDBM50350728 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cccc(CN)c2)CC1 |r,wU:9.8,wD:12.12,(-10.3,5.18,;-8.97,5.96,;-8.98,7.5,;-10.31,6.73,;-7.64,5.19,;-6.3,5.97,;-6.31,7.51,;-4.97,5.2,;-4.96,3.66,;-3.63,2.89,;-2.3,3.67,;-.97,2.89,;-.97,1.35,;.37,.58,;.36,-.96,;1.7,-1.73,;3.03,-.96,;1.69,-3.27,;3.02,-4.03,;3.03,-5.57,;1.69,-6.35,;.36,-5.58,;-.97,-6.33,;-2.29,-5.57,;-2.29,-4.03,;-.96,-3.27,;.36,-4.04,;4.36,-6.34,;4.36,-7.88,;5.69,-8.65,;7.03,-7.87,;7.02,-6.33,;8.35,-5.55,;9.69,-6.31,;5.68,-5.56,;-2.3,.59,;-3.63,1.35,)|
BDBM50350734 CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2ccnc(c2)-c2ccccc2)CC1 |r,wU:9.8,wD:12.12,(9.28,-12.46,;10.62,-11.69,;10.61,-10.15,;9.28,-10.92,;11.95,-12.46,;13.28,-11.68,;13.28,-10.14,;14.62,-12.45,;14.62,-13.99,;15.96,-14.75,;17.29,-13.98,;18.62,-14.75,;18.62,-16.29,;19.95,-17.07,;19.95,-18.61,;21.28,-19.38,;22.62,-18.61,;21.28,-20.92,;19.95,-21.69,;19.94,-23.22,;21.27,-23.99,;22.61,-23.21,;22.61,-21.68,;23.94,-23.98,;23.94,-25.52,;25.28,-26.29,;26.61,-25.52,;26.6,-23.97,;25.27,-23.21,;17.29,-17.06,;15.96,-16.29,)|
BDBM50365269 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(C)cc1O2
BDBM50365270 Cc1c2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2nn1C
BDBM50365271 CCn1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2n1
BDBM50365272 CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC2=O)c1C
BDBM50365273 CCCn1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2n1
BDBM50365274 CC(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2n1
BDBM50365275 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(Cc3ccccc3)cc1O2
BDBM50365276 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCC1
BDBM50365277 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCCC1
BDBM50365278 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCCCC1
BDBM50365279 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
BDBM50365280 CCn1nc2c(OC3(CCN(CC3)C(=O)c3ccc4[nH]nc(C)c4c3)CC2=O)c1C
BDBM50365281 CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC2=O)c1C
BDBM50365282 CCc1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2
BDBM50365283 CCc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2
BDBM50365284 CCOc1cc(cc2c(C)n[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2
BDBM50365285 CCOc1cc(cc2c(CC)n[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2
BDBM50365286 CCn1nc2c(OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC2=O)c1C
BDBM50365287 CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]cc(C)c4c3)CC2=O)c1C
BDBM50365288 CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4nc[nH]c4c3)CC2=O)c1C
BDBM50365289 CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4nc(C)[nH]c4c3)CC2=O)c1C
BDBM50365290 CC(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c2n1
BDBM50365291 Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(C3CCOC3)c(C)c1O2
BDBM50365292 Cc1cc(cc2[nH]cnc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
BDBM50365293 Cc1nc2c(C)cc(cc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
BDBM50365294 Cn1ncc2ccc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C
BDBM50365295 CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4nc[nH]c4c3)CC(=O)c2n1
BDBM50383742 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)OC(=O)N(CC)C2=O
BDBM50383743 CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)NC(=O)N(C(C)C)C2=O
BDBM50383744 CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)N=C(C)N(C(C)C)C2=O |t:34|
BDBM50383745 CCN1C(=O)CC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C1=O
BDBM50383746 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(=O)N(CC)C2=O)C1
BDBM50383747 CCN1C(=O)OC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C1=O
BDBM50383748 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)NC(=O)N(CC)C2=O
BDBM50383749 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)N(C)C(=O)N(CC)C2=O
BDBM50383750 CCN1C(C)=NC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C1=O |c:4|
BDBM50383751 CCN1C(CC)=NC2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)C1=O |c:5|
BDBM50383752 CCN1C(=O)C2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(N)=O)sc3ccccc23)N=C1C(C)C |c:36|
BDBM50383753 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCNC2=O)C1
BDBM50383754 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCN(C)C2=O)C1
BDBM50383755 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCN(CC)C2=O)C1
BDBM50383756 CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(CCN(C(C)C)C2=O)C1
BDBM50383757 CCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
BDBM50383758 CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
BDBM50383759 CCNC(=O)Nc1sc2cccnc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
BDBM50383760 CCNC(=O)Nc1sc2nccnc2c1C(=O)N1CCC(CC1)N1CCCC2(CC(C)(C)OC2=O)C1
BDBM50383761 CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(C)(C)OC2=O)C1 |r|
BDBM50383762 CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CCN(C(C)C)C2=O)C1 |r|
BDBM50383763 CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCC[C@]2(CC(=O)N(C(C)C)C2=O)C1 |r|
BDBM50383764 CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)OC(=O)N(C(C)C)C2=O
BDBM50388654 CNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O
BDBM50388655 CCNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O
BDBM50388656 COc1cccc2c(C(=O)N3CCC(CC3)N3CCCC4(C3)C(=O)N3CCCCN3C4=O)c(NC(N)=O)sc12
BDBM50388657 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCCN1C2=O
BDBM50388658 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCN1C2=O
BDBM50388659 CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCN1C2=O
BDBM50388660 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O
BDBM50388661 CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O
BDBM50388662 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCN1C2=O
BDBM50388663 CCN1N(CC)C(=O)C2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(=O)NC)sc3ccccc23)C1=O
BDBM50388664 CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N(C)N(C)C2=O
BDBM50394658 CC(C)Oc1ccc(cc1)C1=NC(CSc2nc3ncccc3o2)CO1 |t:11|
BDBM50426521 CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)C2)C(C)(C)C
BDBM50426522 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4ccc(N)nc4c3)CC(=O)c12
BDBM50426523 COc1ccc2ncc(cc2c1)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
BDBM50426524 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]c(cc4c3)C(N)=O)CC(=O)c12
BDBM50446514 CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r|
BDBM50446515 CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C(C)(C)NC(C)=O)c(C)c1 |r|
BDBM50446516 CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@@H](C)NC(C)=O)c(C)c1 |r|
BDBM50446517 CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)[C@H](C)NC(C)=O)c(C)c1 |r|
BDBM50446518 CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CNC(C)=O)n2)c(C)c1 |r|
BDBM50446519 CCOc1cnc(N2CCN([C@@H](C)C2)c2noc(n2)C(C)(F)F)c(C)c1 |r|
BDBM50446520 CCOc1cc(C)c(cn1)N1CCN([C@@H](C)C1)c1noc(CC)n1 |r|
BDBM50446511 CCCOc1ccc(N2CCN(CC2)c2noc(CC)n2)c(C)c1
BDBM50446512 CCCOc1ccc(c(C)c1)-c1ccc(cc1)-c1noc(CC)n1
BDBM50446513 CCCOc1ccc(cc1)-c1ccc(cc1)-c1noc(CC)n1
BDBM50446521 CCOc1cnc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r|
BDBM50446522 CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C(C)(F)F)c(C)c1 |r|
BDBM50446523 CCCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(c1)C(F)(F)F |r|
BDBM50446524 CCCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(Cl)c1 |r|
BDBM50446525 CCc1nc(no1)N1CCN(C[C@@H]1C)c1ccc(OC(F)(F)F)cc1C |r|
BDBM50446526 CCc1nc(no1)N1CCN(C[C@@H]1C)c1ccc(Oc2ccccc2)cc1C |r|
BDBM50446527 CCc1nc(no1)N1CCN(C[C@@H]1C)c1ccc(OC(C)C)cc1C |r|
BDBM50446528 CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r|
BDBM50446529 CCc1nc(no1)N1CCN(C[C@@H]1C)c1ccc(OC)cc1C |r|
BDBM50446530 CCCOc1ccc(N2CCN(C(C2)C(F)(F)F)c2noc(CC)n2)c(C)c1
BDBM50446531 CCCOc1ccc(N2CCN([C@H](C2)C(C)C)c2noc(CC)n2)c(C)c1 |r|
BDBM50446532 CCCOc1ccc(N2CCN([C@@H](CC)C2)c2noc(CC)n2)c(C)c1 |r|
BDBM50446533 CCCOc1ccc(cc1)N1CCN(CC1C)c1noc(CC)n1
BDBM50446534 CCCOc1ccc(cc1)N1CCN([C@@H](C)C1)c1noc(CC)n1 |r|
BDBM50446535 CCCOc1ccc(N2CCN([C@@H](C)C2)c2noc(CC)n2)c(C)c1 |r|
BDBM50446536 CCCOc1ccc(N2CCN([C@H](C)C2)c2noc(CC)n2)c(C)c1 |r|
BDBM50439626 CN1C(=O)c2nn(cc2CC11CCN(CC1)C(=O)c1cc(C)c2[nH]nc(C)c2c1)C(C)(C)C
BDBM50439627 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)NC(=O)c2n1
BDBM50439628 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)NC(=O)c12
BDBM50439629 COc1cc2cc(ccc2cn1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM50439630 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nc(c4c3)C(F)(F)F)NC(=O)c2n1
BDBM50439631 Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(c1C(=O)N2)C(C)(C)C
BDBM50439632 CC(C)n1cc2CC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)NC(=O)c2n1
BDBM50439633 Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM50439634 COc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM50439635 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3cnc4c(Cl)c[nH]c4c3)NC(=O)c2n1
BDBM50439636 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]cc(Cl)c4c3)NC(=O)c2n1
BDBM50439637 CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2n1
BDBM50439638 CNc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM50439639 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4[nH]nc(Cl)c4c3)NC(=O)c2n1
BDBM50439640 Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C1CCC1
BDBM50439641 COc1nccc2ccc(cc12)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM50439642 CN(C)c1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM50439643 CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM50439644 CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(Cl)c[nH]c4c3)NC(=O)c2n1
BDBM50439645 CCC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)NC(=O)c2n1
BDBM50439646 CCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C
BDBM50439647 Cc1ccc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c2c1
BDBM97611 CC(CCc1ccc(Oc2ccc(OCc3ccccc3)nc2)cc1)NC(C)=O
BDBM97616 CC(C)Oc1ccc(Oc2ccc(CCC(C)NC=O)cc2)cn1
BDBM50069756 COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1 |r|
BDBM50069757 CCOC(=O)N1CCN(CC1)c1nc(C)nc2sc3CCCCc3c12
BDBM50034371 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4nc(C)[nH]c4c3)CC(=O)c12
BDBM50034495 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12
BDBM50034494 CC(C)n1ncc2CC3(CCN(CC3)C(=O)c3cnc4cc[nH]c4c3)CC(=O)c12
BDBM50034496 CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12
BDBM50034497 CCn1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12
BDBM50034498 CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)C(C)(C)C(=O)c2n1
BDBM50034499 CC1C(=O)c2nn(cc2OC11CCN(CC1)C(=O)c1ccc2[nH]ncc2c1)C(C)(C)C
BDBM50127716 CC1N(CC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OC(C)(C)C
BDBM50127718 C[C@@H](OC(=O)N1CCC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1 |r|
BDBM50127721 CC(C)OC(=O)N1CCC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1
BDBM50127750 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CN(C2)C(=O)OC(C)(C)C)CC1
BDBM196503 CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:5.8,2.1,c:12,(-8.09,-.31,;-6.75,-1.08,;-5.42,-.31,;-5.42,1.23,;-4.09,2,;-2.75,1.23,;-2.75,-.31,;-4.09,-1.08,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;-.38,2,;-1.29,.75,;-.52,-.58,;1.16,2,;1.93,.67,;3.47,.67,;4.24,2,;3.47,3.33,;1.93,3.33,;1.16,4.67,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,)|
BDBM196504 CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:5.8,2.1,c:12,(-7.43,1.12,;-6.34,.03,;-4.85,.43,;-4.45,1.92,;-2.96,2.32,;-1.87,1.23,;-2.27,-.26,;-3.76,-.66,;-1.87,2.77,;-.41,3.25,;.36,4.58,;.5,2,;-.41,.75,;2.04,2,;2.81,.67,;4.35,.67,;5.12,2,;4.35,3.33,;2.81,3.33,;2.04,4.67,;5.12,-.67,;4.35,-2,;5.12,-3.33,;6.66,-3.33,;7.43,-4.67,;7.43,-2,;6.66,-.67,)|
BDBM196505 COC1CCC2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)c(Cl)c1 |c:12,(-7.43,1.12,;-6.34,.03,;-4.85,.43,;-4.45,1.92,;-2.96,2.32,;-1.87,1.23,;-2.27,-.26,;-3.76,-.66,;-1.87,2.77,;-.41,3.25,;.36,4.58,;.5,2,;-.41,.75,;2.04,2,;2.81,.67,;4.35,.67,;5.12,2,;4.35,3.33,;2.81,3.33,;2.04,4.67,;5.12,-.67,;6.66,-.67,;7.43,-2,;6.66,-3.33,;7.43,-4.67,;5.12,-3.33,;4.35,-4.67,;4.35,-2,)|
BDBM50127711 C[C@@H]1N(CCC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OCC(C)(C)C |r|
BDBM50127712 C[C@@H]1CC2(CN1C(=O)OCC(C)(C)C)CCN(C(C)C2)C(=O)c1cc(C)c2[nH]ncc2c1 |r|
BDBM50127713 C[C@H]1CC2(CN1C(=O)OCC(C)(C)C)CCN(C(C)C2)C(=O)c1cc(C)c2[nH]ncc2c1 |r|
BDBM50127714 CC1CC2(CCN(C2)C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C)c2[nH]ncc2c1
BDBM50127717 CC1CC2(CN(C2)C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C)c2[nH]ncc2c1
BDBM50127719 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCc2ccccc2)CC1
BDBM50127720 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OCC(C)(C)C)CC1
BDBM50127722 C[C@@H](OC(=O)N1CC2(C1)CCN(CC2)C(=O)c1cc(C)c2[nH]ncc2c1)c1ccccc1 |r|
BDBM50127723 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CN(C2)C(=O)OCC(C)(C)C)CC1
BDBM50127724 Cc1cc(cc2cn[nH]c12)C(=O)N1CC2(CN(C2)C(=O)OC(C)(C)C)C1
BDBM50127725 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)C1
BDBM50127751 Cc1cc(cc2cn[nH]c12)C(=O)N1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C
BDBM50127752 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CCN(C2)C(=O)OC(C)(C)C)CC1
BDBM50127753 Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(C1)CCN(CC2)C(=O)OC(C)(C)C
BDBM50127710 C[C@H]1N(CCC11CCN(CC1)C(=O)c1cc(C)c2[nH]ncc2c1)C(=O)OCC(C)(C)C |r|
BDBM64583 C[C@@H](CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1)NC(C)=O |r|