0 B12R2.252 C=C(C)c1cc2sccc2s1 271570a_100000694244_200010191111 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.15 C=Cc1cc2sccc2s1 271570a_100011290941_200010191111 [1,0,0,0,0,0|2,0,0]=3 2 B11R2.15 CSc1cc2sccc2s1 62a_200000210301_200010191111 [1,0,0,0,0,0|3,0,0]=4 3 B11R2.15 [13CH3]Sc1cc2sccc2s1 62a_200025704644_200010191111 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.35 CC(=Cc1ccco1)C(=O)[13CH3] 1458a_100011995979_200025704644 [0,0,1,0,0,0|2,1,0]=4 5 B11R1.35 CC(=O)C(=Cc1ccco1)C 1458a_100011995979_200000210301 [0,0,1,0,0,0|2,1,0]=4 6 B11R1.48 C=Cc1sc(cc1C)C(=O)C 271570a_100011290941_100000729792 [0,0,1,0,0,0|3,0,0]=4 7 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,0,1,0,0,0|2,0,0]=3 8 B11R1.90 CC(O)C=Cc1sccc1Br 271570a_200011019289_100012361411 [0,0,1,0,0,0|2,0,1]=4 9 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,0,1,0,0,0|2,0,0]=3 10 B11R1.90 Cc1ccsc1C=CC(C)O 271570a_200011019289_100000742657 [0,0,1,0,0,0|2,0,1]=4 11 B11R1.124 C=C=Cc1c[nH]c(c1)C(=O)N 271570a_100015277604_100000229580 [0,0,1,0,0,0|2,0,1]=4 12 B11R1.124 C=C=Cc1ccc([nH]1)C(=O)C 271570a_100015277604_200010494458 [0,0,1,0,0,0|2,0,1]=4 13 B11R1.124 CC=Cc1c[nH]c(c1)C(=O)N 271570a_100016259895_100000229580 [0,0,1,0,0,0|2,0,1]=4 14 B11R1.124 CC=Cc1ccc([nH]1)C(=O)C 271570a_100016259895_200010494458 [0,0,1,0,0,0|2,0,0]=3 15 B11R1.124 CC=Cc1ccc(o1)C(=O)C 271570a_100016259895_100000229899 [0,0,1,0,0,0|3,0,0]=4 16 B11R1.124 CC=Cc1ccc(s1)C(=O)C 271570a_100016259895_100000183331 [0,0,1,0,0,0|3,0,0]=4 17 B11R1.124 CC=Cc1ccc(s1)C(=O)N 271570a_100016259895_100000162267 [0,0,1,0,0,0|3,0,0]=4 18 B11R1.124 CCSc1c[nH]c(c1)C(=O)N 62a_100000210202_100000229580 [0,0,1,0,0,0|1,0,2]=4 19 B11R1.124 CCSc1c[nH]c(c1)C(=O)N 62a_100000229580_100000210202 [0,0,1,0,0,0|1,0,2]=4 20 B11R1.124 NC(=O)c1cc(c[nH]1)SCF 62a_100000229580_100015361967 [0,0,1,0,0,0|2,0,1]=4 21 B11R1.124 NC(=O)c1cc(c[nH]1)SCF 62a_100015361967_100000229580 [0,0,1,0,0,0|2,0,1]=4 22 B13R2.430 C=C(C)c1cc2sccc2cn1 271570a_100000694244_200016184645 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.430 C=C(C)c1ccc2ccsc2c1 271570a_100000694244_100009888917 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 C=C(C)c1ccc2sccc2c1 271570a_100000694244_100009814439 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.430 C=C(C)c1ccc2sccc2n1 271570a_100000694244_100012000956 [0,0,0,0,0,1|2,0,1]=4 26 B13R2.430 C=C(C)c1cnc2sccc2c1 271570a_100000694244_100010135160 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.430 C=C(C)c1ncc2sccc2n1 271570a_100000694244_100000117912 [0,0,0,0,0,1|2,0,1]=4 28 B13R2.430 CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200000210301 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200000210301 [0,0,0,0,0,1|3,0,0]=4 30 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,0,0,0,0,1|2,1,0]=4 31 B13R2.430 CC(=O)c1ccc2ccsc2c1 1458a_100000045399_200000210301 [0,0,0,0,0,1|2,0,0]=3 32 B13R2.430 CC(=O)c1ccc2ncsc2c1 1458a_100000183663_200000210301 [0,0,0,0,0,1|3,0,0]=4 33 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,0,0,0,0,1|2,1,0]=4 34 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.430 CC(=O)c1ccc2scnc2c1 1458a_100000068124_200000210301 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200025704644 [0,0,0,0,0,1|3,0,0]=4 37 B13R2.430 [13CH3]C(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200025704644 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,0,0,0,0,1|2,1,0]=4 39 B13R2.430 [13CH3]C(=O)c1ccc2ccsc2c1 1458a_100000045399_200025704644 [0,0,0,0,0,1|2,0,0]=3 40 B13R2.430 [13CH3]C(=O)c1ccc2ncsc2c1 1458a_100000183663_200025704644 [0,0,0,0,0,1|3,0,0]=4 41 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,0,0,0,0,1|2,1,0]=4 42 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,0,0,0,0,1|2,0,0]=3 43 B13R2.430 [13CH3]C(=O)c1ccc2scnc2c1 1458a_100000068124_200025704644 [0,0,0,0,0,1|3,0,0]=4 44 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,0,0,0,0,1|3,0,0]=4 45 B13R2.435 C=C(C)c1cc2cccnc2[nH]1 271570a_100000694244_100010079843 [0,0,0,0,0,1|3,0,0]=4 46 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,0,0,1|3,0,0]=4 47 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,0,0,1|3,0,0]=4 48 B13R2.543 CC(=Cc1cc2sccc2s1)C 271570a_100102525489_200010191111 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,0,1,0,0,0|1,0,0]=3 50 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.66 CC(O)C=Cc1cccs1 271570a_200011019289_100011215356 [1,0,1,0,0,0|1,0,1]=4 53 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,0,1,0,0,0|1,0,0]=3 54 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [1,0,1,0,0,0|2,0,0]=4 55 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.31 C=Cc1c[nH]c(c1)C(=O)N 271570a_100011290941_100000229580 [1,0,1,0,0,0|1,0,0]=3 57 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [1,0,1,0,0,0|1,0,0]=3 58 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.31 C=Cc1ccc(s1)C(=O)N 271570a_100011290941_100000162267 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.31 C=Cc1coc(c1)C(=O)N 271570a_100011290941_200009817131 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.31 C=Cc1csc(c1)C(=O)C 271570a_100011290941_100000718618 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.31 C=Cc1csc(c1)C(=O)N 271570a_100011290941_100009812991 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [1,0,1,0,0,0|1,0,1]=4 65 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [1,0,1,0,0,0|1,0,1]=4 66 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [1,0,1,0,0,0|1,0,1]=4 67 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [1,0,1,0,0,0|1,0,1]=4 68 B10R1.35 C=Cc1sc(cc1C)C=O 271570a_100011290941_100000761930 [1,0,1,0,0,0|2,0,0]=4 69 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [1,0,1,0,0,0|2,0,0]=4 70 B10R1.96 CC=Cc1ccc(s1)C=O 271570a_100016259895_100000179771 [1,0,1,0,0,0|2,0,0]=4 71 B10R1.96 CCSc1c[nH]c(c1)C=O 62a_100000210202_100000720742 [1,0,1,0,0,0|0,0,2]=4 72 B10R1.96 CCSc1c[nH]c(c1)C=O 62a_100000720742_100000210202 [1,0,1,0,0,0|0,0,2]=4 73 B10R1.96 O=Cc1cc(c[nH]1)SCF 62a_100000720742_100015361967 [1,0,1,0,0,0|1,0,1]=4 74 B10R1.96 O=Cc1cc(c[nH]1)SCF 62a_100015361967_100000720742 [1,0,1,0,0,0|1,0,1]=4 75 B10R2.2 Oc1cc2sccc2s1 271570a_203496583355_200010191111 [2,0,0,0,0,0|1,0,0]=3 76 B12R1.63 C=Cc1sc(cc1C)C(=O)OC 271570a_100011290941_100011219469 [0,1,1,0,0,0|2,0,0]=4 77 B12R1.63 C=Cc1sc(cc1N)C(=O)OC 271570a_100011290941_200010749435 [0,1,1,0,0,0|2,0,0]=4 78 B12R1.63 COC(=O)c1cc(c([nH]1)C)SC 62a_200000210301_100010501536 [0,1,1,0,0,0|0,0,2]=4 79 B12R1.63 COC(=O)c1cc(c([nH]1)C)S[13CH3] 62a_200025704644_100010501536 [0,1,1,0,0,0|0,0,2]=4 80 B12R1.81 CC(O)C=Cc1sccc1CN 271570a_200011019289_100000727803 [0,1,1,0,0,0|1,0,1]=4 81 B12R1.353 CCC(=O)C=Cc1sccc1C 1458a_100000185125_100000210202 [0,1,1,0,0,0|2,0,0]=4 82 B12R1.353 CNC(=O)C=Cc1sccc1C 11a_106832991635_100000185125 [0,1,1,0,0,0|2,0,0]=4 83 B12R1.353 CNC(=O)C=Cc1sccc1C 1626a_100102657272_100000185125 [0,1,1,0,0,0|2,0,0]=4 84 B12R1.353 CNC(=O)C=Cc1sccc1C 240690a_100102657272_100000185125 [0,1,1,0,0,0|2,0,0]=4 85 B12R1.353 CNC(=O)C=Cc1sccc1C 527a_100102657272_100000185125 [0,1,1,0,0,0|2,0,0]=4 86 B12R1.353 Cc1ccsc1C=CC(=O)CF 1458a_100000185125_100015361967 [0,1,1,0,0,0|2,0,0]=4 87 B12R1.179 C=C=Cc1ccc([nH]1)C(=O)OC 271570a_100015277604_100000687774 [0,1,1,0,0,0|1,0,1]=4 88 B12R1.179 CC=Cc1ccc([nH]1)C(=O)OC 271570a_100016259895_100000687774 [0,1,1,0,0,0|1,0,0]=3 89 B12R1.179 CC=Cc1ccc(o1)C(=O)OC 271570a_100016259895_100000148852 [0,1,1,0,0,0|2,0,0]=4 90 B12R1.179 CC=Cc1ccc(s1)C(=O)OC 271570a_100016259895_100000148107 [0,1,1,0,0,0|2,0,0]=4 91 B12R1.179 CC=Cc1ncc([nH]1)C(=O)OC 271570a_100016259895_106744473586 [0,1,1,0,0,0|2,0,0]=4 92 B12R1.179 CCSc1c[nH]c(c1)C(=O)OC 62a_100000210202_100000205823 [0,1,1,0,0,0|0,0,2]=4 93 B12R1.179 COC(=O)c1cc(c[nH]1)SCF 62a_100015361967_100000205823 [0,1,1,0,0,0|1,0,1]=4 94 B12R1.337 C=CCSc1c[nH]c(c1)C(=O)N 62a_100000210623_100000229580 [0,1,1,0,0,0|1,0,0]=3 95 B12R1.337 C=CCSc1c[nH]c(c1)C(=O)N 62a_100000229580_100000210623 [0,1,1,0,0,0|1,0,0]=3 96 B12R1.337 C=CCSc1coc(c1)C(=O)N 62a_100000210623_200009817131 [0,1,1,0,0,0|2,0,0]=4 97 B12R1.337 C=CCSc1coc(c1)C(=O)N 62a_200009817131_100000210623 [0,1,1,0,0,0|2,0,0]=4 98 B12R1.337 C=CCSc1csc(c1)C(=O)C 62a_100000210623_100000718618 [0,1,1,0,0,0|2,0,0]=4 99 B12R1.337 C=CCSc1csc(c1)C(=O)C 62a_100000718618_100000210623 [0,1,1,0,0,0|2,0,0]=4 100 B12R1.337 C=CCSc1csc(c1)C(=O)N 62a_100000210623_100009812991 [0,1,1,0,0,0|2,0,0]=4 101 B12R1.337 C=CCSc1csc(c1)C(=O)N 62a_100009812991_100000210623 [0,1,1,0,0,0|2,0,0]=4 102 B12R1.337 NC(=O)c1cc(c[nH]1)SCC=O 62a_100000229580_200015260668 [0,1,1,0,0,0|1,0,1]=4 103 B12R1.337 NC(=O)c1cc(c[nH]1)SCC=O 62a_200015260668_100000229580 [0,1,1,0,0,0|1,0,1]=4 104 B12R1.389 CC(=O)c1ccc([nH]1)C=C(C)C 271570a_100102525489_200010494458 [0,1,1,0,0,0|2,0,0]=4 105 B12R2.39 C=C=Cc1cc2sccc2s1 271570a_100015277604_200010191111 [1,1,0,0,0,0|2,0,0]=4 106 B12R2.39 CC=Cc1cc2sccc2s1 271570a_100016259895_200010191111 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.966 CCC(=O)c1ccc2ccsc2c1 1458a_100000045399_100000210202 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.966 CCC(=O)c1ccc2sccc2c1 1458a_100000766740_100000210202 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.966 CNC(=O)c1ccc2ccsc2c1 11a_106832991635_100000045399 [0,1,0,0,0,1|2,0,0]=4 110 B14R2.966 CNC(=O)c1ccc2ccsc2c1 1626a_100102657272_100000045399 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.966 CNC(=O)c1ccc2ccsc2c1 240690a_100102657272_100000045399 [0,1,0,0,0,1|2,0,0]=4 112 B14R2.966 CNC(=O)c1ccc2ccsc2c1 527a_100102657272_100000045399 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.966 CNC(=O)c1ccc2sccc2c1 11a_106832991635_100000766740 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.966 CNC(=O)c1ccc2sccc2c1 1626a_100102657272_100000766740 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.966 CNC(=O)c1ccc2sccc2c1 240690a_100102657272_100000766740 [0,1,0,0,0,1|2,0,0]=4 116 B14R2.966 CNC(=O)c1ccc2sccc2c1 527a_100102657272_100000766740 [0,1,0,0,0,1|2,0,0]=4 117 B14R2.966 O=C(CF)c1ccc2ccsc2c1 1458a_100000045399_100015361967 [0,1,0,0,0,1|2,0,0]=4 118 B14R2.966 O=C(CF)c1ccc2sccc2c1 1458a_100000766740_100015361967 [0,1,0,0,0,1|2,0,0]=4 119 B14R2.5998 C=C(C)c1c[nH]c2ccsc2c1=O 271570a_100000694244_100012569241 [0,1,0,0,0,1|2,0,0]=4 120 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,1,0,0,0,1|2,0,0]=4 121 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,1,0,0,0,1|2,0,0]=4 122 B14R2.10637 COC(=O)c1cc2scc(c2[nH]1)O 271570a_203496583355_200010253063 [0,2,0,0,0,0|0,0,0]=2 123 B14R2.10637 COC(=O)c1cc2scc(c2s1)O 271570a_203496583355_100103148757 [0,2,0,0,0,0|1,0,0]=3 124 B12R2.100 Nc1cc2[nH]ccc2cc1O 271570a_203496583355_100010212544 [0,0,1,1,0,0|2,0,0]=4 125 B12R1.264 C[C@H](NCc1ccsc1)C(=O)O 269956a_100000743915_100011261437 [0,0,1,0,0,1|0,0,2]=4 126 B12R1.264 NC(=O)C(=O)NCc1ccsc1 240690a_100000186416_100011215815 [0,0,1,0,0,1|2,0,0]=4 127 B12R1.130 O=C(O)CNCc1ccsc1Br 269956a_100016091260_100009814289 [0,0,1,0,0,1|1,0,1]=4 128 B12R1.130 O=C(O)CNCc1ccsc1Cl 269956a_100016091260_100010167017 [0,0,1,0,0,1|1,0,1]=4 129 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,0,0,0,0,1|2,0,0]=4 130 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [1,0,0,0,0,1|2,0,0]=4 131 B12R2.44 C=Cc1cc2sccc2cn1 271570a_100011290941_200016184645 [1,0,0,0,0,1|1,0,1]=4 132 B12R2.44 C=Cc1ccc2ccsc2c1 271570a_100011290941_100009888917 [1,0,0,0,0,1|2,0,0]=4 133 B12R2.44 C=Cc1ccc2sccc2c1 271570a_100011290941_100009814439 [1,0,0,0,0,1|2,0,0]=4 134 B12R2.44 C=Cc1ccc2sccc2n1 271570a_100011290941_100012000956 [1,0,0,0,0,1|1,0,1]=4 135 B12R2.44 C=Cc1cnc2sccc2c1 271570a_100011290941_100010135160 [1,0,0,0,0,1|2,0,0]=4 136 B12R2.44 C=Cc1ncc2sccc2n1 271570a_100011290941_100000117912 [1,0,0,0,0,1|1,0,1]=4 137 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 11a_100000681076_100015343762 [0,0,0,0,0,2|2,0,0]=4 138 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 1626a_100000681076_100015343762 [0,0,0,0,0,2|2,0,0]=4 139 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 22a_100000681076_100000070787 [0,0,0,0,0,2|2,0,0]=4 140 B14R2.1008 CC(=O)Nc1ccc2sccc2c1 527a_100000681076_100103153847 [0,0,0,0,0,2|2,0,0]=4 141 B14R2.770 NC(=O)CSc1cc2sccc2s1 62a_100000747473_200010191111 [0,0,0,0,0,2|2,0,0]=4 142 B14R2.770 O=C([O-])CSc1cc2sccc2s1 62a_100020667443_200010191111 [0,0,0,0,0,2|1,0,1]=4