0 B12R2.252 C=C(C)c1cc2sccc2s1 271570a_100000694244_200010191111 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.15 C=Cc1cc2sccc2s1 271570a_100011290941_200010191111 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,0,1,0,0,0|3,0,0]=4 3 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,0,1,0,0,0|3,0,0]=4 4 B11R1.90 Cc1ncsc1C=CC(C)O 271570a_200011019289_100009817116 [0,0,1,0,0,0|2,0,1]=4 5 B11R1.124 CC=Cc1c[nH]c(c1)C(=O)N 271570a_100016259895_100000229580 [0,0,1,0,0,0|3,0,0]=4 6 B11R1.124 CC=Cc1ccc([nH]1)C(=O)C 271570a_100016259895_200010494458 [0,0,1,0,0,0|3,0,0]=4 7 B11R1.124 CCSc1c[nH]c(c1)C(=O)N 62a_100000210202_100000229580 [0,0,1,0,0,0|2,0,1]=4 8 B11R1.124 CCSc1c[nH]c(c1)C(=O)N 62a_100000229580_100000210202 [0,0,1,0,0,0|2,0,1]=4 9 B11R1.124 NC(=O)c1cc(c[nH]1)SCF 62a_100000229580_100015361967 [0,0,1,0,0,0|2,0,1]=4 10 B11R1.124 NC(=O)c1cc(c[nH]1)SCF 62a_100015361967_100000229580 [0,0,1,0,0,0|2,0,1]=4 11 B13R2.430 C=C(C)c1ccc2ncsc2c1 271570a_100000694244_100009816678 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.430 C=C(C)c1ccc2scnc2c1 271570a_100000694244_100010005895 [0,0,0,0,0,1|3,0,0]=4 13 B13R2.430 C=C(C)c1cnc2scnc2c1 271570a_100000694244_100010178689 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 CC(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200000210301 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 CC(=O)c1ccc2ccsc2c1 1458a_100000045399_200000210301 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,0,0,0,0,1|2,1,0]=4 17 B13R2.430 CC(=O)c1ccc2ncsc2c1 1458a_100000183663_200000210301 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [0,0,0,0,0,1|2,1,0]=4 19 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.430 CC(=O)c1ccc2scnc2c1 1458a_100000068124_200000210301 [0,0,0,0,0,1|2,0,0]=3 21 B13R2.430 CC(=O)c1ccc2snnc2c1 1458a_100000038608_200000210301 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.430 [13CH3]C(=O)c1ccc2[nH]cnc2c1 1458a_100000184039_200025704644 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.430 [13CH3]C(=O)c1ccc2ccsc2c1 1458a_100000045399_200025704644 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,0,0,0,0,1|2,1,0]=4 25 B13R2.430 [13CH3]C(=O)c1ccc2ncsc2c1 1458a_100000183663_200025704644 [0,0,0,0,0,1|2,0,0]=3 26 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [0,0,0,0,0,1|2,1,0]=4 27 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.430 [13CH3]C(=O)c1ccc2scnc2c1 1458a_100000068124_200025704644 [0,0,0,0,0,1|2,0,0]=3 29 B13R2.430 [13CH3]C(=O)c1ccc2snnc2c1 1458a_100000038608_200025704644 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.435 C=C(C)c1cc2cccnc2[nH]1 271570a_100000694244_100010079843 [0,0,0,0,0,1|3,0,0]=4 31 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.66 CC(O)C=Cc1cncs1 271570a_200011019289_100011934649 [1,0,1,0,0,0|1,0,1]=4 34 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.31 C=Cc1c[nH]c(c1)C(=O)N 271570a_100011290941_100000229580 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [1,0,1,0,0,0|2,0,0]=4 38 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [1,0,1,0,0,0|1,0,1]=4 39 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [1,0,1,0,0,0|1,0,1]=4 40 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [1,0,1,0,0,0|1,0,1]=4 41 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [1,0,1,0,0,0|1,0,1]=4 42 B10R1.96 CCSc1c[nH]c(c1)C=O 62a_100000210202_100000720742 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.96 CCSc1c[nH]c(c1)C=O 62a_100000720742_100000210202 [1,0,1,0,0,0|1,0,1]=4 44 B10R1.96 O=Cc1cc(c[nH]1)SCF 62a_100000720742_100015361967 [1,0,1,0,0,0|1,0,1]=4 45 B10R1.96 O=Cc1cc(c[nH]1)SCF 62a_100015361967_100000720742 [1,0,1,0,0,0|1,0,1]=4 46 B10R2.2 Oc1cc2sccc2s1 271570a_203496583355_200010191111 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.63 COC(=O)c1cc(c([nH]1)C)SC 62a_200000210301_100010501536 [0,1,1,0,0,0|1,0,1]=4 48 B12R1.63 COC(=O)c1cc(c([nH]1)C)S[13CH3] 62a_200025704644_100010501536 [0,1,1,0,0,0|1,0,1]=4 49 B12R1.179 CC=Cc1ccc([nH]1)C(=O)OC 271570a_100016259895_100000687774 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.179 CCSc1c[nH]c(c1)C(=O)OC 62a_100000210202_100000205823 [0,1,1,0,0,0|1,0,1]=4 51 B12R1.179 COC(=O)c1cc(c[nH]1)SCF 62a_100015361967_100000205823 [0,1,1,0,0,0|1,0,1]=4 52 B12R1.337 C=CCSc1c[nH]c(c1)C(=O)N 62a_100000210623_100000229580 [0,1,1,0,0,0|2,0,0]=4 53 B12R1.337 C=CCSc1c[nH]c(c1)C(=O)N 62a_100000229580_100000210623 [0,1,1,0,0,0|2,0,0]=4 54 B12R1.337 NC(=O)c1cc(c[nH]1)SCC=O 62a_100000229580_200015260668 [0,1,1,0,0,0|2,0,0]=4 55 B12R1.337 NC(=O)c1cc(c[nH]1)SCC=O 62a_200015260668_100000229580 [0,1,1,0,0,0|2,0,0]=4 56 B14R2.601 CC(=O)c1ccc2nc(sc2c1)Br 1458a_100009815783_200000210301 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.601 CC(=O)c1ccc2nc(sc2c1)C 1458a_100000695894_200000210301 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.601 CC(=O)c1ccc2nc(sc2c1)Cl 1458a_100000068991_200000210301 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.601 CC(=O)c1ccc2sc(nc2c1)C 1458a_100000016425_200000210301 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.601 Cc1nc2cc(ccc2s1)C(=O)[13CH3] 1458a_100000016425_200025704644 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.601 Cc1nc2ccc(cc2s1)C(=O)[13CH3] 1458a_100000695894_200025704644 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.601 NC(=O)c1ccc2nc(sc2c1)O 271570a_203496583355_100010941663 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.601 [13CH3]C(=O)c1ccc2nc(sc2c1)Br 1458a_100009815783_200025704644 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.601 [13CH3]C(=O)c1ccc2nc(sc2c1)Cl 1458a_100000068991_200025704644 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.966 CCC(=O)c1ccc2ncsc2c1 1458a_100000183663_100000210202 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.966 CCC(=O)c1ccc2scnc2c1 1458a_100000068124_100000210202 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.966 CNC(=O)c1ccc2ncsc2c1 11a_106832991635_100000183663 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.966 CNC(=O)c1ccc2ncsc2c1 1626a_100102657272_100000183663 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.966 CNC(=O)c1ccc2ncsc2c1 240690a_100102657272_100000183663 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.966 CNC(=O)c1ccc2ncsc2c1 527a_100102657272_100000183663 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.966 CNC(=O)c1ccc2scnc2c1 11a_106832991635_100000068124 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.966 CNC(=O)c1ccc2scnc2c1 1626a_100102657272_100000068124 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.966 CNC(=O)c1ccc2scnc2c1 527a_100102657272_100000068124 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.966 O=C(CF)c1ccc2ncsc2c1 1458a_100000183663_100015361967 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.966 O=C(CF)c1ccc2scnc2c1 1458a_100000068124_100015361967 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.10637 COC(=O)c1cc2scc(c2[nH]1)O 271570a_203496583355_200010253063 [0,2,0,0,0,0|1,0,0]=3 77 B14R2.10637 COC(=O)c1cc2scc(c2s1)O 271570a_203496583355_100103148757 [0,2,0,0,0,0|2,0,0]=4 78 B12R2.100 Nc1cc2[nH]cnc2cc1O 271570a_203496583355_200010336578 [0,0,1,1,0,0|2,0,0]=4 79 B12R1.264 C[C@H](NCc1cscn1)C(=O)O 269956a_100000743915_100000205941 [0,0,1,0,0,1|0,0,2]=4 80 B12R1.264 NC(=O)C(=O)NCc1cscn1 240690a_100015185402_100011215815 [0,0,1,0,0,1|2,0,0]=4 81 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [1,0,0,0,0,1|2,0,0]=4 82 B12R2.44 C=Cc1ccc2ncsc2c1 271570a_100011290941_100009816678 [1,0,0,0,0,1|2,0,0]=4 83 B12R2.44 C=Cc1ccc2scnc2c1 271570a_100011290941_100010005895 [1,0,0,0,0,1|2,0,0]=4 84 B12R2.44 C=Cc1cnc2scnc2c1 271570a_100011290941_100010178689 [1,0,0,0,0,1|2,0,0]=4 85 B14R2.1008 CC(=O)Cc1ccc2ncsc2c1 1458a_100000070787_100009847474 [0,0,0,0,0,2|2,0,0]=4 86 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 11a_100011215093_100015343762 [0,0,0,0,0,2|2,0,0]=4 87 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 1626a_100011215093_100015343762 [0,0,0,0,0,2|2,0,0]=4 88 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 22a_100011215093_100000070787 [0,0,0,0,0,2|2,0,0]=4 89 B14R2.1008 CC(=O)Nc1ccc2ncsc2c1 527a_100011215093_100103153847 [0,0,0,0,0,2|2,0,0]=4 90 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 11a_100000047738_100015343762 [0,0,0,0,0,2|2,0,0]=4 91 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 1626a_100000047738_100015343762 [0,0,0,0,0,2|2,0,0]=4 92 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 22a_100000047738_100000070787 [0,0,0,0,0,2|2,0,0]=4 93 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 527a_100000047738_100103153847 [0,0,0,0,0,2|2,0,0]=4