0 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.20 C=Cc1cccnc1CN 271570a_100011290941_100020591323 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.20 C=Cc1cccnc1CO 271570a_100011290941_100011996772 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [0,0,0,0,0,0|1,1,2]=4 11 B10R1.20 C=Cc1cccnc1SC 271570a_100011290941_100011465278 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.20 C=Cc1cncnc1CC 271570a_100011290941_100009816992 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.20 C=Cc1ncccc1CN 271570a_100011290941_100015189234 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.20 C=Cc1ncccc1CO 271570a_100011290941_100000748726 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.20 C=Cc1ncccc1NC 271570a_100011290941_200011806188 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [0,0,0,0,0,0|1,1,2]=4 17 B10R1.20 C=Cc1nccnc1C#N 271570a_100011290941_100000040484 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.20 C=Cc1nccnc1CC 271570a_100011290941_100011995844 [0,0,0,0,0,0|1,0,1]=2 19 B10R1.20 C=Cc1nccnc1CN 271570a_100011290941_100000729963 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.20 C=Cc1nccnc1CO 271570a_100011290941_100000057004 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.20 C=Cc1nccnc1NC 271570a_100011290941_100011529439 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.20 C=Cc1nccnc1NN 271570a_100011290941_100000755098 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [0,0,0,0,0,0|0,1,2]=3 24 B10R1.20 C=Cc1ncncc1CC 271570a_100011290941_200000100055 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [0,0,0,0,0,0|2,1,0]=3 32 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [0,0,0,0,0,0|2,1,0]=3 33 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [0,0,0,0,0,0|2,1,0]=3 34 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [0,0,0,0,0,0|2,1,0]=3 35 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.20 CCc1ccncc1SC 62a_100009819861_200000210301 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.20 CCc1ccncc1SC 62a_200000210301_100009819861 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.20 CCc1ccncc1S[13CH3] 62a_100009819861_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.20 CCc1ccncc1S[13CH3] 62a_200025704644_100009819861 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.20 CCc1cnccc1SC 62a_100025704421_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.20 CCc1cnccc1SC 62a_200000210301_100025704421 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.20 CCc1cnccc1S[13CH3] 62a_100025704421_200025704644 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.20 CCc1cnccc1S[13CH3] 62a_200025704644_100025704421 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.20 CCc1cncnc1NC 27a_100102657272_200000100055 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.20 CCc1cncnc1SC 62a_200000100055_200000210301 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.20 CCc1cncnc1SC 62a_200000210301_200000100055 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.20 CCc1cncnc1S[13CH3] 62a_200000100055_200025704644 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.20 CCc1cncnc1S[13CH3] 62a_200025704644_200000100055 [0,0,0,0,0,0|2,0,0]=2 52 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [0,0,0,0,0,0|1,0,0]=1 53 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [0,0,0,0,0,0|1,0,0]=1 54 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [0,0,0,0,0,0|1,0,0]=1 55 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [0,0,0,0,0,0|1,0,0]=1 56 B10R1.20 CCc1nccnc1NC 27a_100102657272_100011995844 [0,0,0,0,0,0|1,0,0]=1 57 B10R1.20 CCc1nccnc1SC 62a_100011995844_200000210301 [0,0,0,0,0,0|0,0,0]=0 58 B10R1.20 CCc1nccnc1SC 62a_200000210301_100011995844 [0,0,0,0,0,0|0,0,0]=0 59 B10R1.20 CCc1nccnc1S[13CH3] 62a_100011995844_200025704644 [0,0,0,0,0,0|0,0,0]=0 60 B10R1.20 CCc1nccnc1S[13CH3] 62a_200025704644_100011995844 [0,0,0,0,0,0|0,0,0]=0 61 B10R1.20 CCc1ncncc1NC 27a_100102657272_100009816992 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.20 CCc1ncncc1SC 62a_100009816992_200000210301 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.20 CCc1ncncc1SC 62a_200000210301_100009816992 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.20 CCc1ncncc1S[13CH3] 62a_100009816992_200025704644 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.20 CCc1ncncc1S[13CH3] 62a_200025704644_100009816992 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.20 CNc1ccccc1CO 34a_100000212039_200000210301 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [0,0,0,0,0,0|3,1,0]=4 68 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [0,0,0,0,0,0|3,1,0]=4 69 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [0,0,0,0,0,0|3,1,0]=4 70 B10R1.20 CNc1ccccc1SC 34a_100000211160_200000210301 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.20 CNc1ccccc1SC 62a_100020606079_200000210301 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.20 CNc1ccccc1SC 62a_200000210301_100020606079 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.20 CNc1ccccc1S[13CH3] 62a_100020606079_200025704644 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.20 CNc1ccccc1S[13CH3] 62a_200025704644_100020606079 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.20 CNc1cccnc1SC 62a_200000210301_200011806188 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.20 CNc1cccnc1S[13CH3] 62a_200025704644_200011806188 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.20 CNc1ccncc1SC 62a_100010069531_200000210301 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.20 CNc1ccncc1SC 62a_200000210301_100010069531 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.20 CNc1ccncc1S[13CH3] 62a_100010069531_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.20 CNc1ccncc1S[13CH3] 62a_200025704644_100010069531 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.20 CNc1ncccc1C#N 27a_100102657272_100000211984 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.20 CNc1ncccc1SC 62a_100000700899_200000210301 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.20 CNc1ncccc1SC 62a_200000210301_100000700899 [0,0,0,0,0,0|2,0,0]=2 84 B10R1.20 CNc1ncccc1S[13CH3] 62a_100000700899_200025704644 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.20 CNc1ncccc1S[13CH3] 62a_200025704644_100000700899 [0,0,0,0,0,0|2,0,0]=2 86 B10R1.20 CNc1nccnc1C#N 27a_100102657272_100000040484 [0,0,0,0,0,0|2,0,1]=3 87 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [0,0,0,0,0,0|1,1,0]=2 88 B10R1.20 CNc1nccnc1SC 62a_200000210301_100011529439 [0,0,0,0,0,0|1,0,0]=1 89 B10R1.20 CNc1nccnc1S[13CH3] 62a_200025704644_100011529439 [0,0,0,0,0,0|1,0,0]=1 90 B10R1.20 CNc1ncncc1OC 27a_100102657272_100012001275 [0,0,0,0,0,0|3,1,0]=4 91 B10R1.20 CNc1ncncc1SC 62a_200000210301_200012180720 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.20 CNc1ncncc1SC 62a_200012180720_200000210301 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.20 CNc1ncncc1S[13CH3] 62a_200012180720_200025704644 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.20 CNc1ncncc1S[13CH3] 62a_200025704644_200012180720 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [0,0,0,0,0,0|3,1,0]=4 96 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [0,0,0,0,0,0|3,1,0]=4 97 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [0,0,0,0,0,0|3,1,0]=4 98 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [0,0,0,0,0,0|3,1,0]=4 99 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [0,0,0,0,0,0|3,1,0]=4 100 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.20 COc1cccnc1C#N 34a_100000722750_200000210301 [0,0,0,0,0,0|2,1,1]=4 106 B10R1.20 COc1cccnc1C#N 7a_100000722750_200000210301 [0,0,0,0,0,0|2,1,1]=4 107 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [0,0,0,0,0,0|2,1,0]=3 108 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [0,0,0,0,0,0|2,1,0]=3 109 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [0,0,0,0,0,0|2,1,0]=3 110 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [0,0,0,0,0,0|2,1,0]=3 111 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [0,0,0,0,0,0|2,1,0]=3 112 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [0,0,0,0,0,0|2,1,0]=3 113 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [0,0,0,0,0,0|2,1,0]=3 114 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [0,0,0,0,0,0|2,0,0]=2 115 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [0,0,0,0,0,0|2,0,0]=2 116 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [0,0,0,0,0,0|2,0,0]=2 117 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [0,0,0,0,0,0|2,0,0]=2 118 B10R1.20 COc1ccncc1SC 62a_100011997281_200000210301 [0,0,0,0,0,0|4,0,0]=4 119 B10R1.20 COc1ccncc1SC 62a_200000210301_100011997281 [0,0,0,0,0,0|4,0,0]=4 120 B10R1.20 COc1ccncc1S[13CH3] 62a_100011997281_200025704644 [0,0,0,0,0,0|4,0,0]=4 121 B10R1.20 COc1ccncc1S[13CH3] 62a_200025704644_100011997281 [0,0,0,0,0,0|4,0,0]=4 122 B10R1.20 COc1cnccc1SC 62a_100016988167_200000210301 [0,0,0,0,0,0|4,0,0]=4 123 B10R1.20 COc1cnccc1SC 62a_200000210301_100016988167 [0,0,0,0,0,0|4,0,0]=4 124 B10R1.20 COc1cnccc1S[13CH3] 62a_100016988167_200025704644 [0,0,0,0,0,0|4,0,0]=4 125 B10R1.20 COc1cnccc1S[13CH3] 62a_200025704644_100016988167 [0,0,0,0,0,0|4,0,0]=4 126 B10R1.20 COc1cncnc1SC 62a_100012001275_200000210301 [0,0,0,0,0,0|3,0,0]=3 127 B10R1.20 COc1cncnc1SC 62a_200000210301_100012001275 [0,0,0,0,0,0|3,0,0]=3 128 B10R1.20 COc1cncnc1S[13CH3] 62a_100012001275_200025704644 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.20 COc1cncnc1S[13CH3] 62a_200025704644_100012001275 [0,0,0,0,0,0|3,0,0]=3 130 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [0,0,0,0,0,0|2,1,0]=3 131 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [0,0,0,0,0,0|2,1,0]=3 132 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [0,0,0,0,0,0|2,0,0]=2 133 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [0,0,0,0,0,0|2,0,0]=2 134 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [0,0,0,0,0,0|2,0,0]=2 135 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [0,0,0,0,0,0|2,0,0]=2 136 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [0,0,0,0,0,0|1,0,0]=1 137 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [0,0,0,0,0,0|1,0,0]=1 138 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [0,0,0,0,0,0|1,0,0]=1 139 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [0,0,0,0,0,0|1,0,0]=1 140 B10R1.20 COc1ncncc1SC 62a_100000719902_200000210301 [0,0,0,0,0,0|3,0,0]=3 141 B10R1.20 COc1ncncc1SC 62a_200000210301_100000719902 [0,0,0,0,0,0|3,0,0]=3 142 B10R1.20 COc1ncncc1S[13CH3] 62a_100000719902_200025704644 [0,0,0,0,0,0|3,0,0]=3 143 B10R1.20 COc1ncncc1S[13CH3] 62a_200025704644_100000719902 [0,0,0,0,0,0|3,0,0]=3 144 B10R1.20 CSc1ccccc1C#N 62a_200000210301_100000188569 [0,0,0,0,0,0|3,0,1]=4 145 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [0,0,0,0,0,0|3,0,1]=4 146 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [0,0,0,0,0,0|3,0,1]=4 147 B10R1.20 CSc1ccccc1CN 62a_100000689332_200000210301 [0,0,0,0,0,0|3,0,0]=3 148 B10R1.20 CSc1ccccc1CN 62a_200000210301_100000689332 [0,0,0,0,0,0|3,0,0]=3 149 B10R1.20 CSc1ccccc1CO 62a_100000187465_200000210301 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.20 CSc1ccccc1CO 62a_200000210301_100000187465 [0,0,0,0,0,0|3,0,0]=3 151 B10R1.20 CSc1ccccc1NN 62a_100000241748_200000210301 [0,0,0,0,0,0|4,0,0]=4 152 B10R1.20 CSc1ccccc1NN 62a_200000210301_100000241748 [0,0,0,0,0,0|4,0,0]=4 153 B10R1.20 CSc1ccccc1N[13CH3] 34a_100000211160_200025704644 [0,0,0,0,0,0|3,0,0]=3 154 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [0,0,0,0,0,0|3,0,0]=3 155 B10R1.20 CSc1ccccc1SC 62a_100011217816_200000210301 [0,0,0,0,0,0|3,0,0]=3 156 B10R1.20 CSc1ccccc1SC 62a_200000210301_100011217816 [0,0,0,0,0,0|3,0,0]=3 157 B10R1.20 CSc1ccccc1S[13CH3] 62a_100011217816_200025704644 [0,0,0,0,0,0|3,0,0]=3 158 B10R1.20 CSc1ccccc1S[13CH3] 62a_200025704644_100011217816 [0,0,0,0,0,0|3,0,0]=3 159 B10R1.20 CSc1cccnc1C#N 62a_200000210301_100000685805 [0,0,0,0,0,0|2,0,1]=3 160 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [0,0,0,0,0,0|2,0,1]=3 161 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [0,0,0,0,0,0|2,0,1]=3 162 B10R1.20 CSc1cccnc1CN 62a_100020591323_200000210301 [0,0,0,0,0,0|2,0,0]=2 163 B10R1.20 CSc1cccnc1CN 62a_200000210301_100020591323 [0,0,0,0,0,0|2,0,0]=2 164 B10R1.20 CSc1cccnc1CO 62a_100011996772_200000210301 [0,0,0,0,0,0|2,0,0]=2 165 B10R1.20 CSc1cccnc1CO 62a_200000210301_100011996772 [0,0,0,0,0,0|2,0,0]=2 166 B10R1.20 CSc1cccnc1NN 62a_100011464834_200000210301 [0,0,0,0,0,0|3,0,0]=3 167 B10R1.20 CSc1cccnc1NN 62a_200000210301_100011464834 [0,0,0,0,0,0|3,0,0]=3 168 B10R1.20 CSc1cccnc1SC 62a_100011465278_200000210301 [0,0,0,0,0,0|2,0,0]=2 169 B10R1.20 CSc1cccnc1SC 62a_200000210301_100011465278 [0,0,0,0,0,0|2,0,0]=2 170 B10R1.20 CSc1ccncc1CO 62a_100000117392_200000210301 [0,0,0,0,0,0|4,0,0]=4 171 B10R1.20 CSc1ccncc1CO 62a_200000210301_100000117392 [0,0,0,0,0,0|4,0,0]=4 172 B10R1.20 CSc1cnccc1CN 62a_100020640021_200000210301 [0,0,0,0,0,0|4,0,0]=4 173 B10R1.20 CSc1cnccc1CN 62a_200000210301_100020640021 [0,0,0,0,0,0|4,0,0]=4 174 B10R1.20 CSc1cnccc1CO 62a_100009873359_200000210301 [0,0,0,0,0,0|4,0,0]=4 175 B10R1.20 CSc1cnccc1CO 62a_200000210301_100009873359 [0,0,0,0,0,0|4,0,0]=4 176 B10R1.20 CSc1cncnc1C#N 62a_200000210301_100012001395 [0,0,0,0,0,0|3,0,1]=4 177 B10R1.20 CSc1ncccc1C#N 62a_200000210301_100000211984 [0,0,0,0,0,0|2,0,1]=3 178 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [0,0,0,0,0,0|2,0,1]=3 179 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [0,0,0,0,0,0|2,0,1]=3 180 B10R1.20 CSc1ncccc1CN 62a_100015189234_200000210301 [0,0,0,0,0,0|2,0,0]=2 181 B10R1.20 CSc1ncccc1CN 62a_200000210301_100015189234 [0,0,0,0,0,0|2,0,0]=2 182 B10R1.20 CSc1ncccc1CO 62a_100000748726_200000210301 [0,0,0,0,0,0|2,0,0]=2 183 B10R1.20 CSc1ncccc1CO 62a_200000210301_100000748726 [0,0,0,0,0,0|2,0,0]=2 184 B10R1.20 CSc1ncccc1S[13CH3] 62a_100011465278_200025704644 [0,0,0,0,0,0|2,0,0]=2 185 B10R1.20 CSc1ncccc1S[13CH3] 62a_200025704644_100011465278 [0,0,0,0,0,0|2,0,0]=2 186 B10R1.20 CSc1nccnc1C#N 62a_200000210301_100000040484 [0,0,0,0,0,0|1,0,1]=2 187 B10R1.20 CSc1nccnc1C=O 62a_100000051000_200000210301 [0,0,0,0,0,0|1,0,1]=2 188 B10R1.20 CSc1nccnc1C=O 62a_200000210301_100000051000 [0,0,0,0,0,0|1,0,1]=2 189 B10R1.20 CSc1nccnc1CN 62a_100000729963_200000210301 [0,0,0,0,0,0|1,0,0]=1 190 B10R1.20 CSc1nccnc1CN 62a_200000210301_100000729963 [0,0,0,0,0,0|1,0,0]=1 191 B10R1.20 CSc1nccnc1CO 62a_100000057004_200000210301 [0,0,0,0,0,0|1,0,0]=1 192 B10R1.20 CSc1nccnc1CO 62a_200000210301_100000057004 [0,0,0,0,0,0|1,0,0]=1 193 B10R1.20 CSc1nccnc1NN 62a_200000210301_100000755098 [0,0,0,0,0,0|2,0,0]=2 194 B10R1.20 CSc1ncncc1C#N 62a_200000210301_100000687955 [0,0,0,0,0,0|3,0,1]=4 195 B10R1.20 CSc1nnccc1C#N 62a_200000210301_100000100742 [0,0,0,0,0,0|3,0,1]=4 196 B10R1.20 [13CH3]Nc1ccccc1CO 34a_100000212039_200025704644 [0,0,0,0,0,0|4,0,0]=4 197 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [0,0,0,0,0,0|3,1,0]=4 198 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [0,0,0,0,0,0|3,1,0]=4 199 B10R1.20 [13CH3]Oc1cccnc1C#N 34a_100000722750_200025704644 [0,0,0,0,0,0|2,1,1]=4 200 B10R1.20 [13CH3]Oc1cccnc1C#N 7a_100000722750_200025704644 [0,0,0,0,0,0|2,1,1]=4 201 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [0,0,0,0,0,0|2,1,0]=3 202 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [0,0,0,0,0,0|2,1,0]=3 203 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [0,0,0,0,0,0|2,1,0]=3 204 B10R1.20 [13CH3]Sc1ccccc1C#N 62a_200025704644_100000188569 [0,0,0,0,0,0|3,0,1]=4 205 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [0,0,0,0,0,0|3,0,1]=4 206 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [0,0,0,0,0,0|3,0,1]=4 207 B10R1.20 [13CH3]Sc1ccccc1CN 62a_100000689332_200025704644 [0,0,0,0,0,0|3,0,0]=3 208 B10R1.20 [13CH3]Sc1ccccc1CN 62a_200025704644_100000689332 [0,0,0,0,0,0|3,0,0]=3 209 B10R1.20 [13CH3]Sc1ccccc1CO 62a_100000187465_200025704644 [0,0,0,0,0,0|3,0,0]=3 210 B10R1.20 [13CH3]Sc1ccccc1CO 62a_200025704644_100000187465 [0,0,0,0,0,0|3,0,0]=3 211 B10R1.20 [13CH3]Sc1ccccc1NN 62a_100000241748_200025704644 [0,0,0,0,0,0|4,0,0]=4 212 B10R1.20 [13CH3]Sc1ccccc1NN 62a_200025704644_100000241748 [0,0,0,0,0,0|4,0,0]=4 213 B10R1.20 [13CH3]Sc1cccnc1C#N 62a_200025704644_100000685805 [0,0,0,0,0,0|2,0,1]=3 214 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [0,0,0,0,0,0|2,0,1]=3 215 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [0,0,0,0,0,0|2,0,1]=3 216 B10R1.20 [13CH3]Sc1cccnc1CN 62a_100020591323_200025704644 [0,0,0,0,0,0|2,0,0]=2 217 B10R1.20 [13CH3]Sc1cccnc1CN 62a_200025704644_100020591323 [0,0,0,0,0,0|2,0,0]=2 218 B10R1.20 [13CH3]Sc1cccnc1CO 62a_100011996772_200025704644 [0,0,0,0,0,0|2,0,0]=2 219 B10R1.20 [13CH3]Sc1cccnc1CO 62a_200025704644_100011996772 [0,0,0,0,0,0|2,0,0]=2 220 B10R1.20 [13CH3]Sc1cccnc1NN 62a_100011464834_200025704644 [0,0,0,0,0,0|3,0,0]=3 221 B10R1.20 [13CH3]Sc1cccnc1NN 62a_200025704644_100011464834 [0,0,0,0,0,0|3,0,0]=3 222 B10R1.20 [13CH3]Sc1ccncc1CO 62a_100000117392_200025704644 [0,0,0,0,0,0|4,0,0]=4 223 B10R1.20 [13CH3]Sc1ccncc1CO 62a_200025704644_100000117392 [0,0,0,0,0,0|4,0,0]=4 224 B10R1.20 [13CH3]Sc1cnccc1CN 62a_100020640021_200025704644 [0,0,0,0,0,0|4,0,0]=4 225 B10R1.20 [13CH3]Sc1cnccc1CN 62a_200025704644_100020640021 [0,0,0,0,0,0|4,0,0]=4 226 B10R1.20 [13CH3]Sc1cnccc1CO 62a_100009873359_200025704644 [0,0,0,0,0,0|4,0,0]=4 227 B10R1.20 [13CH3]Sc1cnccc1CO 62a_200025704644_100009873359 [0,0,0,0,0,0|4,0,0]=4 228 B10R1.20 [13CH3]Sc1cncnc1C#N 62a_200025704644_100012001395 [0,0,0,0,0,0|3,0,1]=4 229 B10R1.20 [13CH3]Sc1ncccc1C#N 62a_200025704644_100000211984 [0,0,0,0,0,0|2,0,1]=3 230 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [0,0,0,0,0,0|2,0,1]=3 231 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [0,0,0,0,0,0|2,0,1]=3 232 B10R1.20 [13CH3]Sc1ncccc1CN 62a_100015189234_200025704644 [0,0,0,0,0,0|2,0,0]=2 233 B10R1.20 [13CH3]Sc1ncccc1CN 62a_200025704644_100015189234 [0,0,0,0,0,0|2,0,0]=2 234 B10R1.20 [13CH3]Sc1ncccc1CO 62a_100000748726_200025704644 [0,0,0,0,0,0|2,0,0]=2 235 B10R1.20 [13CH3]Sc1ncccc1CO 62a_200025704644_100000748726 [0,0,0,0,0,0|2,0,0]=2 236 B10R1.20 [13CH3]Sc1nccnc1C#N 62a_200025704644_100000040484 [0,0,0,0,0,0|1,0,1]=2 237 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_100000051000_200025704644 [0,0,0,0,0,0|1,0,1]=2 238 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_200025704644_100000051000 [0,0,0,0,0,0|1,0,1]=2 239 B10R1.20 [13CH3]Sc1nccnc1CN 62a_100000729963_200025704644 [0,0,0,0,0,0|1,0,0]=1 240 B10R1.20 [13CH3]Sc1nccnc1CN 62a_200025704644_100000729963 [0,0,0,0,0,0|1,0,0]=1 241 B10R1.20 [13CH3]Sc1nccnc1CO 62a_100000057004_200025704644 [0,0,0,0,0,0|1,0,0]=1 242 B10R1.20 [13CH3]Sc1nccnc1CO 62a_200025704644_100000057004 [0,0,0,0,0,0|1,0,0]=1 243 B10R1.20 [13CH3]Sc1nccnc1NN 62a_200025704644_100000755098 [0,0,0,0,0,0|2,0,0]=2 244 B10R1.20 [13CH3]Sc1ncncc1C#N 62a_200025704644_100000687955 [0,0,0,0,0,0|3,0,1]=4 245 B10R1.20 [13CH3]Sc1nnccc1C#N 62a_200025704644_100000100742 [0,0,0,0,0,0|3,0,1]=4 246 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [1,0,0,0,0,0|1,0,2]=4 247 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,0,0,0,0,0|1,0,2]=4 248 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [1,0,0,0,0,0|0,0,2]=3 249 B9R1.15 C=Cc1nccnc1F 271570a_100011290941_200010125657 [1,0,0,0,0,0|1,0,2]=4 250 B9R1.15 C=Cc1nccnc1N 271570a_100011290941_100000747729 [1,0,0,0,0,0|1,0,2]=4 251 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [1,0,0,0,0,0|2,1,0]=4 252 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [1,0,0,0,0,0|2,1,0]=4 253 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,0,0,0,0,0|1,1,0]=3 254 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [1,0,0,0,0,0|0,1,0]=2 255 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [1,0,0,0,0,0|2,1,0]=4 256 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,0,0,0,0,0|3,0,0]=4 257 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [1,0,0,0,0,0|2,1,0]=4 258 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [1,0,0,0,0,0|2,1,0]=4 260 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [1,0,0,0,0,0|1,0,0]=2 261 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [1,0,0,0,0,0|2,0,0]=3 262 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [1,0,0,0,0,0|1,1,0]=3 263 B9R1.15 CNc1ncncc1C 27a_100102657272_100011998708 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.15 CNc1nnccc1C 27a_100102657272_100000089043 [1,0,0,0,0,0|3,0,0]=4 265 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,0,0,0,0,0|2,1,0]=4 266 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,0,0,0,0,0|2,1,0]=4 267 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [1,0,0,0,0,0|2,1,0]=4 268 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [1,0,0,0,0,0|2,1,0]=4 269 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [1,0,0,0,0,0|1,1,0]=3 270 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [1,0,0,0,0,0|1,1,0]=3 271 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [1,0,0,0,0,0|2,1,0]=4 272 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [1,0,0,0,0,0|2,1,0]=4 273 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [1,0,0,0,0,0|2,1,0]=4 274 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [1,0,0,0,0,0|2,1,0]=4 275 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [1,0,0,0,0,0|2,1,0]=4 276 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [1,0,0,0,0,0|2,1,0]=4 277 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [1,0,0,0,0,0|2,1,0]=4 278 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [1,0,0,0,0,0|2,1,0]=4 279 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [1,0,0,0,0,0|2,1,0]=4 280 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [1,0,0,0,0,0|2,1,0]=4 281 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [1,0,0,0,0,0|2,1,0]=4 282 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [1,0,0,0,0,0|2,1,0]=4 283 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [1,0,0,0,0,0|2,1,0]=4 284 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [1,0,0,0,0,0|0,1,0]=2 285 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [1,0,0,0,0,0|1,1,0]=3 286 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,0,0,0,0,0|2,0,0]=3 290 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,0,0,0,0,0|2,0,0]=3 291 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [1,0,0,0,0,0|3,0,0]=4 294 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [1,0,0,0,0,0|3,0,0]=4 298 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [1,0,0,0,0,0|2,0,0]=3 301 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [1,0,0,0,0,0|2,0,0]=3 302 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [1,0,0,0,0,0|1,0,0]=2 303 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [1,0,0,0,0,0|1,0,0]=2 304 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [1,0,0,0,0,0|2,0,0]=3 305 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [1,0,0,0,0,0|2,0,0]=3 306 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [1,0,0,0,0,0|2,0,0]=3 307 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [1,0,0,0,0,0|2,0,0]=3 308 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [1,0,0,0,0,0|2,0,0]=3 309 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [1,0,0,0,0,0|2,0,0]=3 310 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [1,0,0,0,0,0|2,0,0]=3 311 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [1,0,0,0,0,0|2,0,0]=3 312 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [1,0,0,0,0,0|3,0,0]=4 313 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [1,0,0,0,0,0|3,0,0]=4 314 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [1,0,0,0,0,0|3,0,0]=4 315 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [1,0,0,0,0,0|3,0,0]=4 316 B9R1.15 CSc1cncnc1Br 62a_200000210301_200012461658 [1,0,0,0,0,0|3,0,0]=4 317 B9R1.15 CSc1cncnc1Br 62a_200012461658_200000210301 [1,0,0,0,0,0|3,0,0]=4 318 B9R1.15 CSc1cncnc1C 62a_100009819671_200000210301 [1,0,0,0,0,0|2,0,0]=3 319 B9R1.15 CSc1cncnc1C 62a_200000210301_100009819671 [1,0,0,0,0,0|2,0,0]=3 320 B9R1.15 CSc1cncnc1Cl 62a_100000758962_200000210301 [1,0,0,0,0,0|3,0,0]=4 321 B9R1.15 CSc1cncnc1Cl 62a_200000210301_100000758962 [1,0,0,0,0,0|3,0,0]=4 322 B9R1.15 CSc1cncnc1N 62a_100011996079_200000210301 [1,0,0,0,0,0|3,0,0]=4 323 B9R1.15 CSc1cncnc1N 62a_200000210301_100011996079 [1,0,0,0,0,0|3,0,0]=4 324 B9R1.15 CSc1cncnc1O 62a_100000751107_200000210301 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.15 CSc1cncnc1O 62a_200000210301_100000751107 [1,0,0,0,0,0|3,0,0]=4 326 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [1,0,0,0,0,0|1,0,1]=3 327 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [1,0,0,0,0,0|2,0,0]=3 328 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [1,0,0,0,0,0|2,0,0]=3 329 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [1,0,0,0,0,0|1,0,0]=2 330 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [1,0,0,0,0,0|1,0,0]=2 331 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [1,0,0,0,0,0|2,0,0]=3 332 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [1,0,0,0,0,0|2,0,0]=3 333 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [1,0,0,0,0,0|2,0,0]=3 336 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [1,0,0,0,0,0|2,0,0]=3 337 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [1,0,0,0,0,0|2,0,0]=3 338 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [1,0,0,0,0,0|2,0,0]=3 339 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [1,0,0,0,0,0|2,0,0]=3 340 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [1,0,0,0,0,0|0,0,0]=1 341 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [1,0,0,0,0,0|0,0,0]=1 342 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [1,0,0,0,0,0|1,0,0]=2 343 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [1,0,0,0,0,0|1,0,0]=2 344 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [1,0,0,0,0,0|1,0,0]=2 345 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [1,0,0,0,0,0|1,0,0]=2 346 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [1,0,0,0,0,0|1,0,0]=2 347 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [1,0,0,0,0,0|1,0,0]=2 348 B9R1.15 CSc1ncncc1C 62a_100011998708_200000210301 [1,0,0,0,0,0|2,0,0]=3 349 B9R1.15 CSc1ncncc1C 62a_200000210301_100011998708 [1,0,0,0,0,0|2,0,0]=3 350 B9R1.15 CSc1ncncc1F 62a_100000069762_200000210301 [1,0,0,0,0,0|3,0,0]=4 351 B9R1.15 CSc1ncncc1F 62a_200000210301_100000069762 [1,0,0,0,0,0|3,0,0]=4 352 B9R1.15 CSc1ncncc1N 62a_100000709731_200000210301 [1,0,0,0,0,0|3,0,0]=4 353 B9R1.15 CSc1ncncc1N 62a_200000210301_100000709731 [1,0,0,0,0,0|3,0,0]=4 354 B9R1.15 CSc1nnccc1C 62a_200000210301_100000089043 [1,0,0,0,0,0|2,0,0]=3 355 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [1,0,0,0,0,0|3,0,0]=4 356 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,0,0,0,0,0|3,0,0]=4 357 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,0,0,0,0,0|2,1,0]=4 358 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,0,0,0,0,0|2,1,0]=4 359 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,0,0,0,0,0|2,0,0]=3 360 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,0,0,0,0,0|2,0,0]=3 361 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [1,0,0,0,0,0|1,0,0]=2 362 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [1,0,0,0,0,0|1,0,0]=2 363 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [1,0,0,0,0,0|3,0,0]=4 364 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [1,0,0,0,0,0|3,0,0]=4 365 B9R1.15 Cc1ccnnc1S[13CH3] 62a_200025704644_100000089043 [1,0,0,0,0,0|2,0,0]=3 366 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [1,0,0,0,0,0|3,0,0]=4 367 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [1,0,0,0,0,0|3,0,0]=4 368 B9R1.15 Cc1cncnc1S[13CH3] 62a_100011998708_200025704644 [1,0,0,0,0,0|2,0,0]=3 369 B9R1.15 Cc1cncnc1S[13CH3] 62a_200025704644_100011998708 [1,0,0,0,0,0|2,0,0]=3 370 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [1,0,0,0,0,0|1,1,0]=3 371 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [1,0,0,0,0,0|1,1,0]=3 372 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [1,0,0,0,0,0|1,0,0]=2 373 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [1,0,0,0,0,0|1,0,0]=2 374 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [1,0,0,0,0,0|0,1,0]=2 375 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [1,0,0,0,0,0|0,0,0]=1 376 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [1,0,0,0,0,0|0,0,0]=1 377 B9R1.15 Cc1ncncc1S[13CH3] 62a_100009819671_200025704644 [1,0,0,0,0,0|2,0,0]=3 378 B9R1.15 Cc1ncncc1S[13CH3] 62a_200025704644_100009819671 [1,0,0,0,0,0|2,0,0]=3 379 B9R1.15 N#Cc1nccnc1O 271570a_203496583355_100000040484 [1,0,0,0,0,0|1,1,1]=4 380 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [1,0,0,0,0,0|2,1,0]=4 381 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [1,0,0,0,0,0|2,1,0]=4 382 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [1,0,0,0,0,0|1,1,0]=3 383 B9R1.15 NNc1nccnc1O 271570a_203496583355_100000755098 [1,0,0,0,0,0|2,1,0]=4 384 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [1,0,0,0,0,0|2,1,0]=4 385 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [1,0,0,0,0,0|2,1,0]=4 386 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [1,0,0,0,0,0|1,1,0]=3 387 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [1,0,0,0,0,0|2,1,0]=4 388 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [1,0,0,0,0,0|2,1,0]=4 389 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [1,0,0,0,0,0|2,1,0]=4 390 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [1,0,0,0,0,0|2,1,0]=4 391 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [1,0,0,0,0,0|2,1,0]=4 392 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [1,0,0,0,0,0|2,1,0]=4 393 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [1,0,0,0,0,0|2,1,0]=4 394 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [1,0,0,0,0,0|2,1,0]=4 395 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [1,0,0,0,0,0|2,1,0]=4 396 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [1,0,0,0,0,0|2,1,0]=4 397 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [1,0,0,0,0,0|2,1,0]=4 398 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [1,0,0,0,0,0|2,1,0]=4 399 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [1,0,0,0,0,0|2,1,0]=4 400 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [1,0,0,0,0,0|3,0,0]=4 401 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [1,0,0,0,0,0|3,0,0]=4 402 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [1,0,0,0,0,0|3,0,0]=4 403 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [1,0,0,0,0,0|3,0,0]=4 404 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [1,0,0,0,0,0|3,0,0]=4 406 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [1,0,0,0,0,0|3,0,0]=4 407 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [1,0,0,0,0,0|3,0,0]=4 408 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [1,0,0,0,0,0|3,0,0]=4 409 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [1,0,0,0,0,0|2,0,0]=3 411 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [1,0,0,0,0,0|2,0,0]=3 412 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [1,0,0,0,0,0|2,0,0]=3 413 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [1,0,0,0,0,0|2,0,0]=3 414 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [1,0,0,0,0,0|2,0,0]=3 415 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [1,0,0,0,0,0|2,0,0]=3 416 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [1,0,0,0,0,0|2,0,0]=3 417 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [1,0,0,0,0,0|2,0,0]=3 418 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [1,0,0,0,0,0|2,0,0]=3 419 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [1,0,0,0,0,0|2,0,0]=3 420 B9R1.15 [13CH3]Sc1cncnc1Br 62a_200012461658_200025704644 [1,0,0,0,0,0|3,0,0]=4 421 B9R1.15 [13CH3]Sc1cncnc1Br 62a_200025704644_200012461658 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.15 [13CH3]Sc1cncnc1Cl 62a_100000758962_200025704644 [1,0,0,0,0,0|3,0,0]=4 423 B9R1.15 [13CH3]Sc1cncnc1Cl 62a_200025704644_100000758962 [1,0,0,0,0,0|3,0,0]=4 424 B9R1.15 [13CH3]Sc1cncnc1N 62a_100011996079_200025704644 [1,0,0,0,0,0|3,0,0]=4 425 B9R1.15 [13CH3]Sc1cncnc1N 62a_200025704644_100011996079 [1,0,0,0,0,0|3,0,0]=4 426 B9R1.15 [13CH3]Sc1cncnc1O 62a_100000751107_200025704644 [1,0,0,0,0,0|3,0,0]=4 427 B9R1.15 [13CH3]Sc1cncnc1O 62a_200025704644_100000751107 [1,0,0,0,0,0|3,0,0]=4 428 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [1,0,0,0,0,0|1,0,1]=3 429 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [1,0,0,0,0,0|2,0,0]=3 430 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [1,0,0,0,0,0|2,0,0]=3 431 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [1,0,0,0,0,0|2,0,0]=3 432 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [1,0,0,0,0,0|2,0,0]=3 433 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [1,0,0,0,0,0|2,0,0]=3 434 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [1,0,0,0,0,0|2,0,0]=3 435 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [1,0,0,0,0,0|2,0,0]=3 436 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [1,0,0,0,0,0|2,0,0]=3 437 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [1,0,0,0,0,0|2,0,0]=3 438 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [1,0,0,0,0,0|2,0,0]=3 439 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [1,0,0,0,0,0|1,0,0]=2 440 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [1,0,0,0,0,0|1,0,0]=2 441 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [1,0,0,0,0,0|1,0,0]=2 442 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [1,0,0,0,0,0|1,0,0]=2 443 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [1,0,0,0,0,0|1,0,0]=2 444 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [1,0,0,0,0,0|1,0,0]=2 445 B9R1.15 [13CH3]Sc1ncncc1F 62a_100000069762_200025704644 [1,0,0,0,0,0|3,0,0]=4 446 B9R1.15 [13CH3]Sc1ncncc1F 62a_200025704644_100000069762 [1,0,0,0,0,0|3,0,0]=4 447 B9R1.15 [13CH3]Sc1ncncc1N 62a_100000709731_200025704644 [1,0,0,0,0,0|3,0,0]=4 448 B9R1.15 [13CH3]Sc1ncncc1N 62a_200025704644_100000709731 [1,0,0,0,0,0|3,0,0]=4 449 B11R1.37 C=Cc1cc(cnc1CC)N 271570a_100011290941_100013085292 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.37 C=Cc1ncc(cc1SC)C 271570a_100011290941_100010884634 [0,1,0,0,0,0|1,0,2]=4 451 B11R1.37 C=Cc1ncc(nc1OC)Br 271570a_100011290941_100010214903 [0,1,0,0,0,0|0,1,2]=4 452 B11R1.37 C=Cc1ncc(nc1OC)N 271570a_100011290941_100010128448 [0,1,0,0,0,0|0,1,2]=4 453 B11R1.37 CCc1cc(ccc1NC)Br 2230a_100000686106_200000210301 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.37 CCc1cc(ccc1NC)Br 34a_100000686106_200000210301 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.37 CCc1cc(ccc1NC)Br 7a_100000686106_200000210301 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.37 CCc1cc(ccc1NC)Cl 2230a_100012017146_200000210301 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.37 CCc1cc(ccc1NC)Cl 34a_100012017146_200000210301 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.37 CCc1cc(ccc1NC)Cl 7a_100012017146_200000210301 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.37 CCc1cc(ccc1NC)I 2230a_100000014069_200000210301 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.37 CCc1cc(ccc1NC)I 34a_100000014069_200000210301 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.37 CCc1cc(ccc1NC)I 7a_100000014069_200000210301 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.37 CCc1cc(ccc1N[13CH3])Br 2230a_100000686106_200025704644 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.37 CCc1cc(ccc1N[13CH3])Br 34a_100000686106_200025704644 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.37 CCc1cc(ccc1N[13CH3])Br 7a_100000686106_200025704644 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 2230a_100012017146_200025704644 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 34a_100012017146_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 7a_100012017146_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.37 CCc1cc(ccc1N[13CH3])I 2230a_100000014069_200025704644 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.37 CCc1cc(ccc1N[13CH3])I 34a_100000014069_200025704644 [0,1,0,0,0,0|3,0,0]=4 470 B11R1.37 CCc1cc(ccc1N[13CH3])I 7a_100000014069_200025704644 [0,1,0,0,0,0|3,0,0]=4 471 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [0,1,0,0,0,0|2,1,0]=4 472 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [0,1,0,0,0,0|2,1,0]=4 473 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [0,1,0,0,0,0|2,1,0]=4 474 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [0,1,0,0,0,0|2,1,0]=4 475 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [0,1,0,0,0,0|2,1,0]=4 476 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [0,1,0,0,0,0|2,1,0]=4 477 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [0,1,0,0,0,0|2,1,0]=4 478 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [0,1,0,0,0,0|2,1,0]=4 479 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [0,1,0,0,0,0|2,1,0]=4 480 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [0,1,0,0,0,0|2,1,0]=4 481 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [0,1,0,0,0,0|2,1,0]=4 482 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [0,1,0,0,0,0|2,1,0]=4 483 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [0,1,0,0,0,0|2,1,0]=4 484 B11R1.37 CCc1cc(ccc1SC)Br 62a_100011216195_200000210301 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.37 CCc1cc(ccc1SC)Br 62a_200000210301_100011216195 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.37 CCc1cc(ccc1SC)N 62a_100010109747_200000210301 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.37 CCc1cc(ccc1SC)N 62a_200000210301_100010109747 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_100011216195_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_200025704644_100011216195 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_100010109747_200025704644 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_200025704644_100010109747 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.37 CCc1ccc(cc1NC)Br 2230a_100012354963_200000210301 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.37 CCc1ccc(cc1NC)Br 34a_100012354963_200000210301 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.37 CCc1ccc(cc1NC)Br 7a_100012354963_200000210301 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.37 CCc1ccc(cc1NC)Cl 2230a_200012281948_200000210301 [0,1,0,0,0,0|3,0,0]=4 496 B11R1.37 CCc1ccc(cc1NC)Cl 34a_200012281948_200000210301 [0,1,0,0,0,0|3,0,0]=4 497 B11R1.37 CCc1ccc(cc1NC)Cl 7a_200012281948_200000210301 [0,1,0,0,0,0|3,0,0]=4 498 B11R1.37 CCc1ccc(cc1N[13CH3])Br 2230a_100012354963_200025704644 [0,1,0,0,0,0|3,0,0]=4 499 B11R1.37 CCc1ccc(cc1N[13CH3])Br 34a_100012354963_200025704644 [0,1,0,0,0,0|3,0,0]=4 500 B11R1.37 CCc1ccc(cc1N[13CH3])Br 7a_100012354963_200025704644 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 2230a_200012281948_200025704644 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 34a_200012281948_200025704644 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 7a_200012281948_200025704644 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [0,1,0,0,0,0|2,1,0]=4 505 B11R1.37 CCc1cnc(cc1SC)C 62a_100010291839_200000210301 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.37 CCc1cnc(cc1SC)C 62a_200000210301_100010291839 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.37 CCc1cnc(cc1S[13CH3])C 62a_100010291839_200025704644 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.37 CCc1cnc(cc1S[13CH3])C 62a_200025704644_100010291839 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.37 CCc1cnc(nc1NC)C 27a_100102657272_200000069817 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.37 CCc1cnc(nc1SC)C 62a_200000069817_200000210301 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.37 CCc1cnc(nc1SC)C 62a_200000210301_200000069817 [0,1,0,0,0,0|2,0,0]=3 512 B11R1.37 CCc1cnc(nc1S[13CH3])C 62a_200000069817_200025704644 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.37 CCc1cnc(nc1S[13CH3])C 62a_200025704644_200000069817 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [0,1,0,0,0,0|1,1,0]=3 515 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [0,1,0,0,0,0|1,1,0]=3 516 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [0,1,0,0,0,0|1,1,0]=3 517 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [0,1,0,0,0,0|1,1,0]=3 518 B11R1.37 CCc1ncc(cc1SC)N 62a_100013085292_200000210301 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.37 CCc1ncc(cc1SC)N 62a_200000210301_100013085292 [0,1,0,0,0,0|1,0,0]=2 520 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_100013085292_200025704644 [0,1,0,0,0,0|1,0,0]=2 521 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_200025704644_100013085292 [0,1,0,0,0,0|1,0,0]=2 522 B11R1.37 CNc1cc(ccc1SC)Cl 34a_100000745667_200000210301 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.37 CNc1cc(ccc1SC)F 62a_100020633008_200000210301 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.37 CNc1cc(ccc1SC)F 62a_200000210301_100020633008 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_100020633008_200025704644 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_200025704644_100020633008 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.37 CNc1ccc(cc1SC)C 62a_100000221369_200000210301 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.37 CNc1ccc(cc1SC)C 62a_200000210301_100000221369 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.37 CNc1ccc(cc1SC)F 62a_100011246292_200000210301 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.37 CNc1ccc(cc1SC)F 62a_200000210301_100011246292 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_100000221369_200025704644 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_200025704644_100000221369 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_100011246292_200025704644 [0,1,0,0,0,0|3,0,0]=4 534 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_200025704644_100011246292 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.37 CNc1nc(cnc1C#N)N 27a_100102657272_100000099870 [0,1,0,0,0,0|2,0,1]=4 536 B11R1.37 CNc1ncc(cc1SC)C 27a_100102657272_100010884634 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.37 COc1cc(ccc1SC)Br 62a_100010245111_200000210301 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.37 COc1cc(ccc1SC)Br 62a_200000210301_100010245111 [0,1,0,0,0,0|3,0,0]=4 539 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [0,1,0,0,0,0|3,0,0]=4 540 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.37 COc1cc(ccc1SC)F 62a_100000757151_200000210301 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.37 COc1cc(ccc1SC)F 62a_200000210301_100000757151 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_100010245111_200025704644 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_200025704644_100010245111 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_100000757151_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_200025704644_100000757151 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.37 COc1cc(cnc1CO)O 271570a_203496583355_200010246159 [0,1,0,0,0,0|2,1,0]=4 561 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [0,1,0,0,0,0|2,1,0]=4 562 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [0,1,0,0,0,0|2,1,0]=4 563 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [0,1,0,0,0,0|2,1,0]=4 564 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [0,1,0,0,0,0|2,1,0]=4 565 B11R1.37 COc1cc(cnc1SC)C 62a_200000210301_200000118316 [0,1,0,0,0,0|2,0,0]=3 566 B11R1.37 COc1cc(cnc1SC)F 62a_100010136273_200000210301 [0,1,0,0,0,0|2,0,0]=3 567 B11R1.37 COc1cc(cnc1SC)F 62a_200000210301_100009867738 [0,1,0,0,0,0|2,0,0]=3 568 B11R1.37 COc1cc(cnc1SC)N 62a_200000210301_100000097218 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.37 COc1cc(cnc1SC)N 62a_200010291755_200000210301 [0,1,0,0,0,0|2,0,0]=3 570 B11R1.37 COc1cc(cnc1S[13CH3])C 62a_200025704644_200000118316 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_100010136273_200025704644 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_200025704644_100009867738 [0,1,0,0,0,0|2,0,0]=3 573 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200010291755_200025704644 [0,1,0,0,0,0|2,0,0]=3 574 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200025704644_100000097218 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [0,1,0,0,0,0|3,0,0]=4 597 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [0,1,0,0,0,0|3,0,0]=4 600 B11R1.37 COc1ccc(nc1CCl)C 34a_100020630696_200000210301 [0,1,0,0,0,0|2,1,0]=4 601 B11R1.37 COc1ccc(nc1CCl)C 7a_100020630696_200000210301 [0,1,0,0,0,0|2,1,0]=4 602 B11R1.37 COc1ccc(nc1CO)C 34a_100000751967_200000210301 [0,1,0,0,0,0|2,1,0]=4 603 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [0,1,0,0,0,0|2,1,0]=4 604 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [0,1,0,0,0,0|2,1,0]=4 605 B11R1.37 COc1ccc(nc1SC)C 62a_100009820875_200000210301 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.37 COc1ccc(nc1SC)C 62a_200000210301_100009820875 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.37 COc1ccc(nc1SC)N 62a_100010172607_200000210301 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.37 COc1ccc(nc1SC)N 62a_200000210301_100010172607 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_100009820875_200025704644 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_200025704644_100009820875 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_100010172607_200025704644 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_200025704644_100010172607 [0,1,0,0,0,0|2,0,0]=3 613 B11R1.37 COc1nc(ccc1CN)O 271570a_203496583355_100015687481 [0,1,0,0,0,0|2,1,0]=4 614 B11R1.37 COc1nc(ccc1CO)O 271570a_203496583355_100010988397 [0,1,0,0,0,0|2,1,0]=4 615 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [0,1,0,0,0,0|2,1,0]=4 616 B11R1.37 COc1nc(ccc1SC)C 62a_100010138632_200000210301 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.37 COc1nc(ccc1SC)C 62a_200000210301_100010138632 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.37 COc1nc(ccc1SC)N 62a_100010187630_200000210301 [0,1,0,0,0,0|2,0,0]=3 619 B11R1.37 COc1nc(ccc1SC)N 62a_200000210301_100010187630 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_100010138632_200025704644 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_200025704644_100010138632 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_100010187630_200025704644 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_200025704644_100010187630 [0,1,0,0,0,0|2,0,0]=3 624 B11R1.37 COc1nc(cnc1SC)Br 62a_100010214903_200000210301 [0,1,0,0,0,0|1,0,0]=2 625 B11R1.37 COc1nc(cnc1SC)Br 62a_200000210301_100010214903 [0,1,0,0,0,0|1,0,0]=2 626 B11R1.37 COc1nc(cnc1SC)N 62a_100010128448_200000210301 [0,1,0,0,0,0|1,0,0]=2 627 B11R1.37 COc1nc(cnc1SC)N 62a_200000210301_100010128448 [0,1,0,0,0,0|1,0,0]=2 628 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_100010214903_200025704644 [0,1,0,0,0,0|1,0,0]=2 629 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_200025704644_100010214903 [0,1,0,0,0,0|1,0,0]=2 630 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_100010128448_200025704644 [0,1,0,0,0,0|1,0,0]=2 631 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_200025704644_100010128448 [0,1,0,0,0,0|1,0,0]=2 632 B11R1.37 COc1nc(ncc1SC)Cl 62a_200000210301_200010294032 [0,1,0,0,0,0|3,0,0]=4 633 B11R1.37 COc1nc(ncc1SC)Cl 62a_200010294032_200000210301 [0,1,0,0,0,0|3,0,0]=4 634 B11R1.37 COc1nc(ncc1SC)N 62a_100010240410_200000210301 [0,1,0,0,0,0|3,0,0]=4 635 B11R1.37 COc1nc(ncc1SC)N 62a_200000210301_100010240410 [0,1,0,0,0,0|3,0,0]=4 636 B11R1.37 COc1nc(ncc1S[13CH3])Cl 62a_200010294032_200025704644 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.37 COc1nc(ncc1S[13CH3])Cl 62a_200025704644_200010294032 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.37 COc1nc(ncc1S[13CH3])N 62a_100010240410_200025704644 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.37 COc1nc(ncc1S[13CH3])N 62a_200025704644_100010240410 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.37 COc1ncc(cc1CO)O 271570a_203496583355_100000695684 [0,1,0,0,0,0|2,1,0]=4 641 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [0,1,0,0,0,0|2,1,0]=4 642 B11R1.37 COc1ncc(cc1SC)Br 62a_100009814608_200000210301 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.37 COc1ncc(cc1SC)Br 62a_200000210301_100009814608 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.37 COc1ncc(cc1SC)C 62a_100012353929_200000210301 [0,1,0,0,0,0|2,0,0]=3 645 B11R1.37 COc1ncc(cc1SC)C 62a_200000210301_100012353929 [0,1,0,0,0,0|2,0,0]=3 646 B11R1.37 COc1ncc(cc1SC)F 62a_100009828472_200000210301 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.37 COc1ncc(cc1SC)F 62a_200000210301_100009828472 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.37 COc1ncc(cc1SC)N 62a_100012351452_200000210301 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.37 COc1ncc(cc1SC)N 62a_200000210301_100012351452 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_100009814608_200025704644 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_200025704644_100009814608 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_100012353929_200025704644 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_200025704644_100012353929 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_100009828472_200025704644 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_200025704644_100009828472 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_100012351452_200025704644 [0,1,0,0,0,0|2,0,0]=3 657 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_200025704644_100012351452 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.37 COc1ncc(nc1NN)O 271570a_203496583355_100010368496 [0,1,0,0,0,0|2,1,0]=4 659 B11R1.37 COc1ncc(nc1OC)O 271570a_203496583355_100010132954 [0,1,0,0,0,0|1,1,0]=3 660 B11R1.37 COc1nnc(cc1SC)Cl 62a_100000725446_200000210301 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.37 COc1nnc(cc1SC)Cl 62a_200000210301_100000725446 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.37 COc1nnc(cc1S[13CH3])Cl 62a_100000725446_200025704644 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.37 COc1nnc(cc1S[13CH3])Cl 62a_200025704644_100000725446 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.37 CSc1cc(ccc1CN)F 62a_100000708791_200000210301 [0,1,0,0,0,0|3,0,0]=4 665 B11R1.37 CSc1cc(ccc1CN)F 62a_200000210301_100000708791 [0,1,0,0,0,0|3,0,0]=4 666 B11R1.37 CSc1cc(ccc1CO)Br 62a_100010146605_200000210301 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.37 CSc1cc(ccc1CO)Br 62a_200000210301_100010146605 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.37 CSc1cc(ccc1CO)Cl 62a_100000722340_200000210301 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.37 CSc1cc(ccc1CO)Cl 62a_200000210301_100000722340 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.37 CSc1cc(ccc1CO)F 62a_100000744086_200000210301 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.37 CSc1cc(ccc1CO)F 62a_200000210301_100000744086 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.37 CSc1cc(ccc1CO)O 62a_100010146404_200000210301 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.37 CSc1cc(ccc1CO)O 62a_200000210301_100010146404 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200010709736_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200025704644_200010709736 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.37 CSc1cc(cnc1C#N)C 62a_200000210301_100009874213 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.37 CSc1cc(cnc1C#N)F 62a_200000210301_100010080900 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.37 CSc1cc(cnc1C#N)O 62a_200000210301_200015293162 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.37 CSc1cc(cnc1NN)C 62a_100012357580_200000210301 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.37 CSc1cc(cnc1NN)C 62a_200000210301_100012357580 [0,1,0,0,0,0|3,0,0]=4 681 B11R1.37 CSc1cc(cnc1SC)C 62a_100010884634_200000210301 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.37 CSc1cc(cnc1SC)C 62a_200000210301_100010884634 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.37 CSc1cc(cnc1S[13CH3])C 62a_100010884634_200025704644 [0,1,0,0,0,0|2,0,0]=3 684 B11R1.37 CSc1cc(cnc1S[13CH3])C 62a_200025704644_100010884634 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.37 CSc1ccc(cc1CN)F 62a_100000742738_200000210301 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.37 CSc1ccc(cc1CN)F 62a_200000210301_100000742738 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.37 CSc1ccc(cc1CO)Br 62a_100011356890_200000210301 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.37 CSc1ccc(cc1CO)Br 62a_200000210301_100011356890 [0,1,0,0,0,0|3,0,0]=4 689 B11R1.37 CSc1ccc(cc1CO)C 62a_100012361352_200000210301 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.37 CSc1ccc(cc1CO)C 62a_200000210301_100012361352 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.37 CSc1ccc(cc1CO)F 62a_100011217561_200000210301 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.37 CSc1ccc(cc1CO)F 62a_200000210301_100011217561 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.37 CSc1ccc(cc1CO)N 62a_100012347228_200000210301 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.37 CSc1ccc(cc1CO)N 62a_200000210301_100012347228 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.37 CSc1ccc(cc1CO)O 62a_100012351483_200000210301 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.37 CSc1ccc(cc1CO)O 62a_200000210301_100012351483 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.37 CSc1ccc(cc1N[13CH3])Cl 34a_100000745667_200025704644 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010201864 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010709736 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.37 CSc1ccc(cc1SC)C 62a_200010201864_200000210301 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.37 CSc1ccc(cc1SC)C 62a_200010709736_200000210301 [0,1,0,0,0,0|3,0,0]=4 702 B11R1.37 CSc1ccc(cc1SC)F 62a_100009817003_200000210301 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.37 CSc1ccc(cc1SC)F 62a_200000210301_100009817003 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200010201864_200025704644 [0,1,0,0,0,0|3,0,0]=4 705 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200025704644_200010201864 [0,1,0,0,0,0|3,0,0]=4 706 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_100009817003_200025704644 [0,1,0,0,0,0|3,0,0]=4 707 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_200025704644_100009817003 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.37 CSc1ccc(nc1C#N)C 62a_200000210301_100009878477 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.37 CSc1ccc(nc1C#N)N 62a_200000210301_100009818212 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.37 CSc1ccc(nc1C=O)C 62a_100010173661_200000210301 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.37 CSc1ccc(nc1C=O)C 62a_200000210301_100010173661 [0,1,0,0,0,0|2,0,1]=4 712 B11R1.37 CSc1ccc(nc1CO)C 62a_100010074375_200000210301 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.37 CSc1ccc(nc1CO)C 62a_200000210301_100010074375 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.37 CSc1ccc(nc1CO)F 62a_100000701195_200000210301 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.37 CSc1ccc(nc1CO)F 62a_200000210301_100000701195 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.37 CSc1nc(ccc1C#N)C 62a_200000210301_100000741175 [0,1,0,0,0,0|2,0,1]=4 717 B11R1.37 CSc1nc(ccc1C#N)N 62a_200000210301_100000144572 [0,1,0,0,0,0|2,0,1]=4 718 B11R1.37 CSc1nc(ccc1C=O)C 62a_100000085379_200000210301 [0,1,0,0,0,0|2,0,1]=4 719 B11R1.37 CSc1nc(ccc1C=O)C 62a_200000210301_100000085379 [0,1,0,0,0,0|2,0,1]=4 720 B11R1.37 CSc1nc(ccc1C=O)F 62a_100009846357_200000210301 [0,1,0,0,0,0|2,0,1]=4 721 B11R1.37 CSc1nc(ccc1C=O)F 62a_200000210301_100009846357 [0,1,0,0,0,0|2,0,1]=4 722 B11R1.37 CSc1nc(ccc1CO)C 62a_102495338573_200000210301 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.37 CSc1nc(ccc1CO)C 62a_200000210301_102495338573 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.37 CSc1nc(cnc1C#N)N 62a_200000210301_100000099870 [0,1,0,0,0,0|1,0,1]=3 725 B11R1.37 CSc1ncc(cc1C#N)Br 62a_200000210301_100014921297 [0,1,0,0,0,0|2,0,1]=4 726 B11R1.37 CSc1ncc(cc1C#N)C 62a_200000210301_100012662280 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.37 CSc1ncc(cc1C#N)F 62a_200000210301_100009880867 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.37 CSc1ncc(cc1C#N)N 62a_200000210301_100000100830 [0,1,0,0,0,0|2,0,1]=4 729 B11R1.37 CSc1ncc(cc1C=O)C 62a_200000210301_100000050350 [0,1,0,0,0,0|2,0,1]=4 730 B11R1.37 CSc1ncc(cc1C=O)F 62a_100000079965_200000210301 [0,1,0,0,0,0|2,0,1]=4 731 B11R1.37 CSc1ncc(cc1C=O)F 62a_200000210301_100000079965 [0,1,0,0,0,0|2,0,1]=4 732 B11R1.37 CSc1ncc(cc1CN)F 62a_100010760786_200000210301 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.37 CSc1ncc(cc1CN)F 62a_200000210301_100010760786 [0,1,0,0,0,0|2,0,0]=3 734 B11R1.37 CSc1ncc(cc1CO)C 62a_100000118064_200000210301 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.37 CSc1ncc(cc1CO)C 62a_200000210301_100000118064 [0,1,0,0,0,0|2,0,0]=3 736 B11R1.37 CSc1ncc(cc1CO)F 62a_100000079972_200000210301 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.37 CSc1ncc(cc1CO)F 62a_200000210301_100000079972 [0,1,0,0,0,0|2,0,0]=3 738 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_100012361352_200025704644 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_100012361352 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.37 Cc1ccc(c(n1)C#N)S[13CH3] 62a_200025704644_100009878477 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.37 Cc1ccc(c(n1)C=O)S[13CH3] 62a_100010173661_200025704644 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.37 Cc1ccc(c(n1)C=O)S[13CH3] 62a_200025704644_100010173661 [0,1,0,0,0,0|2,0,1]=4 743 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 34a_100020630696_200025704644 [0,1,0,0,0,0|2,1,0]=4 744 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 7a_100020630696_200025704644 [0,1,0,0,0,0|2,1,0]=4 745 B11R1.37 Cc1ccc(c(n1)CO)O[13CH3] 34a_100000751967_200025704644 [0,1,0,0,0,0|2,1,0]=4 746 B11R1.37 Cc1ccc(c(n1)CO)S[13CH3] 62a_100010074375_200025704644 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.37 Cc1ccc(c(n1)CO)S[13CH3] 62a_200025704644_100010074375 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.37 Cc1ccc(c(n1)S[13CH3])C#N 62a_200025704644_100000741175 [0,1,0,0,0,0|2,0,1]=4 749 B11R1.37 Cc1ccc(c(n1)S[13CH3])C=O 62a_100000085379_200025704644 [0,1,0,0,0,0|2,0,1]=4 750 B11R1.37 Cc1ccc(c(n1)S[13CH3])C=O 62a_200025704644_100000085379 [0,1,0,0,0,0|2,0,1]=4 751 B11R1.37 Cc1ccc(c(n1)S[13CH3])CO 62a_102495338573_200025704644 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.37 Cc1ccc(c(n1)S[13CH3])CO 62a_200025704644_102495338573 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.37 Cc1cnc(c(c1)C#N)S[13CH3] 62a_200025704644_100012662280 [0,1,0,0,0,0|2,0,1]=4 754 B11R1.37 Cc1cnc(c(c1)C=O)S[13CH3] 62a_200025704644_100000050350 [0,1,0,0,0,0|2,0,1]=4 755 B11R1.37 Cc1cnc(c(c1)CO)S[13CH3] 62a_100000118064_200025704644 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.37 Cc1cnc(c(c1)CO)S[13CH3] 62a_200025704644_100000118064 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.37 Cc1cnc(c(c1)S[13CH3])C#N 62a_200025704644_100009874213 [0,1,0,0,0,0|2,0,1]=4 758 B11R1.37 Cc1cnc(c(c1)S[13CH3])NN 62a_100012357580_200025704644 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.37 Cc1cnc(c(c1)S[13CH3])NN 62a_200025704644_100012357580 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.37 [13CH3]Sc1cc(ccc1CN)F 62a_100000708791_200025704644 [0,1,0,0,0,0|3,0,0]=4 761 B11R1.37 [13CH3]Sc1cc(ccc1CN)F 62a_200025704644_100000708791 [0,1,0,0,0,0|3,0,0]=4 762 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_100010146605_200025704644 [0,1,0,0,0,0|3,0,0]=4 763 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_200025704644_100010146605 [0,1,0,0,0,0|3,0,0]=4 764 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_100000722340_200025704644 [0,1,0,0,0,0|3,0,0]=4 765 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_200025704644_100000722340 [0,1,0,0,0,0|3,0,0]=4 766 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_100000744086_200025704644 [0,1,0,0,0,0|3,0,0]=4 767 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_200025704644_100000744086 [0,1,0,0,0,0|3,0,0]=4 768 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_100010146404_200025704644 [0,1,0,0,0,0|3,0,0]=4 769 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_200025704644_100010146404 [0,1,0,0,0,0|3,0,0]=4 770 B11R1.37 [13CH3]Sc1cc(cnc1C#N)F 62a_200025704644_100010080900 [0,1,0,0,0,0|2,0,1]=4 771 B11R1.37 [13CH3]Sc1cc(cnc1C#N)O 62a_200025704644_200015293162 [0,1,0,0,0,0|2,0,1]=4 772 B11R1.37 [13CH3]Sc1ccc(cc1CN)F 62a_100000742738_200025704644 [0,1,0,0,0,0|3,0,0]=4 773 B11R1.37 [13CH3]Sc1ccc(cc1CN)F 62a_200025704644_100000742738 [0,1,0,0,0,0|3,0,0]=4 774 B11R1.37 [13CH3]Sc1ccc(cc1CO)Br 62a_100011356890_200025704644 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.37 [13CH3]Sc1ccc(cc1CO)Br 62a_200025704644_100011356890 [0,1,0,0,0,0|3,0,0]=4 776 B11R1.37 [13CH3]Sc1ccc(cc1CO)F 62a_100011217561_200025704644 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.37 [13CH3]Sc1ccc(cc1CO)F 62a_200025704644_100011217561 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_100012347228_200025704644 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_200025704644_100012347228 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_100012351483_200025704644 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_200025704644_100012351483 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.37 [13CH3]Sc1ccc(nc1C#N)N 62a_200025704644_100009818212 [0,1,0,0,0,0|2,0,1]=4 783 B11R1.37 [13CH3]Sc1ccc(nc1CO)F 62a_100000701195_200025704644 [0,1,0,0,0,0|2,0,0]=3 784 B11R1.37 [13CH3]Sc1ccc(nc1CO)F 62a_200025704644_100000701195 [0,1,0,0,0,0|2,0,0]=3 785 B11R1.37 [13CH3]Sc1nc(ccc1C#N)N 62a_200025704644_100000144572 [0,1,0,0,0,0|2,0,1]=4 786 B11R1.37 [13CH3]Sc1nc(ccc1C=O)F 62a_100009846357_200025704644 [0,1,0,0,0,0|2,0,1]=4 787 B11R1.37 [13CH3]Sc1nc(ccc1C=O)F 62a_200025704644_100009846357 [0,1,0,0,0,0|2,0,1]=4 788 B11R1.37 [13CH3]Sc1nc(cnc1C#N)N 62a_200025704644_100000099870 [0,1,0,0,0,0|1,0,1]=3 789 B11R1.37 [13CH3]Sc1ncc(cc1C#N)Br 62a_200025704644_100014921297 [0,1,0,0,0,0|2,0,1]=4 790 B11R1.37 [13CH3]Sc1ncc(cc1C#N)F 62a_200025704644_100009880867 [0,1,0,0,0,0|2,0,1]=4 791 B11R1.37 [13CH3]Sc1ncc(cc1C#N)N 62a_200025704644_100000100830 [0,1,0,0,0,0|2,0,1]=4 792 B11R1.37 [13CH3]Sc1ncc(cc1C=O)F 62a_100000079965_200025704644 [0,1,0,0,0,0|2,0,1]=4 793 B11R1.37 [13CH3]Sc1ncc(cc1C=O)F 62a_200025704644_100000079965 [0,1,0,0,0,0|2,0,1]=4 794 B11R1.37 [13CH3]Sc1ncc(cc1CN)F 62a_100010760786_200025704644 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.37 [13CH3]Sc1ncc(cc1CN)F 62a_200025704644_100010760786 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.37 [13CH3]Sc1ncc(cc1CO)F 62a_100000079972_200025704644 [0,1,0,0,0,0|2,0,0]=3 797 B11R1.37 [13CH3]Sc1ncc(cc1CO)F 62a_200025704644_100000079972 [0,1,0,0,0,0|2,0,0]=3 798 B11R1.41 C=C=Cc1cccnc1CC 271570a_100015277604_100009877225 [0,1,0,0,0,0|2,0,1]=4 799 B11R1.41 C=C=Cc1cccnc1SC 271570a_100015277604_100011465278 [0,1,0,0,0,0|1,0,2]=4 800 B11R1.41 C=C=Cc1nccnc1CC 271570a_100015277604_100011995844 [0,1,0,0,0,0|1,0,1]=3 801 B11R1.41 C=C=Cc1nccnc1CN 271570a_100015277604_100000729963 [0,1,0,0,0,0|2,0,1]=4 802 B11R1.41 C=C=Cc1nccnc1CO 271570a_100015277604_100000057004 [0,1,0,0,0,0|2,0,1]=4 803 B11R1.41 C=C=Cc1nccnc1NC 271570a_100015277604_100011529439 [0,1,0,0,0,0|1,0,2]=4 804 B11R1.41 C=C=Cc1nccnc1OC 271570a_100015277604_100000749998 [0,1,0,0,0,0|0,1,2]=4 805 B11R1.41 C=CCc1ccccc1SC 62a_100009828059_200000210301 [0,1,0,0,0,0|2,0,1]=4 806 B11R1.41 C=CCc1ccccc1SC 62a_200000210301_100009828059 [0,1,0,0,0,0|2,0,1]=4 807 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_100009828059_200025704644 [0,1,0,0,0,0|2,0,1]=4 808 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_200025704644_100009828059 [0,1,0,0,0,0|2,0,1]=4 809 B11R1.41 C=Cc1cccnc1OCC 271570a_100011290941_100011465154 [0,1,0,0,0,0|2,0,1]=4 810 B11R1.41 C=Cc1ncccc1CNC 271570a_100011290941_103496529121 [0,1,0,0,0,0|2,0,1]=4 811 B11R1.41 C=Cc1ncccc1OCC 271570a_100011290941_100011597540 [0,1,0,0,0,0|2,0,1]=4 812 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [0,1,0,0,0,0|1,0,1]=3 813 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [0,1,0,0,0,0|3,0,0]=4 814 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [0,1,0,0,0,0|2,0,1]=4 815 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [0,1,0,0,0,0|2,0,0]=3 816 B11R1.41 CC=Cc1cccnc1CN 271570a_100016259895_100020591323 [0,1,0,0,0,0|3,0,0]=4 817 B11R1.41 CC=Cc1cccnc1CO 271570a_100016259895_100011996772 [0,1,0,0,0,0|3,0,0]=4 818 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [0,1,0,0,0,0|2,0,1]=4 819 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [0,1,0,0,0,0|1,1,1]=4 820 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [0,1,0,0,0,0|1,0,1]=3 821 B11R1.41 CC=Cc1cncnc1CC 271570a_100016259895_100009816992 [0,1,0,0,0,0|3,0,0]=4 822 B11R1.41 CC=Cc1ncccc1CN 271570a_100016259895_100015189234 [0,1,0,0,0,0|3,0,0]=4 823 B11R1.41 CC=Cc1ncccc1CO 271570a_100016259895_100000748726 [0,1,0,0,0,0|3,0,0]=4 824 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [0,1,0,0,0,0|2,0,1]=4 825 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [0,1,0,0,0,0|1,1,1]=4 826 B11R1.41 CC=Cc1nccnc1C#N 271570a_100016259895_100000040484 [0,1,0,0,0,0|2,0,1]=4 827 B11R1.41 CC=Cc1nccnc1CC 271570a_100016259895_100011995844 [0,1,0,0,0,0|1,0,0]=2 828 B11R1.41 CC=Cc1nccnc1CN 271570a_100016259895_100000729963 [0,1,0,0,0,0|2,0,0]=3 829 B11R1.41 CC=Cc1nccnc1CO 271570a_100016259895_100000057004 [0,1,0,0,0,0|2,0,0]=3 830 B11R1.41 CC=Cc1nccnc1NC 271570a_100016259895_100011529439 [0,1,0,0,0,0|1,0,1]=3 831 B11R1.41 CC=Cc1nccnc1NN 271570a_100016259895_100000755098 [0,1,0,0,0,0|2,0,1]=4 832 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [0,1,0,0,0,0|0,1,1]=3 833 B11R1.41 CC=Cc1ncncc1CC 271570a_100016259895_200000100055 [0,1,0,0,0,0|3,0,0]=4 834 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [0,1,0,0,0,0|2,1,0]=4 841 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [0,1,0,0,0,0|2,1,0]=4 842 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [0,1,0,0,0,0|2,1,0]=4 843 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [0,1,0,0,0,0|2,1,0]=4 844 B11R1.41 CCCc1ncncc1NC 27a_100102657272_100009816987 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.41 CCCc1ncncc1SC 62a_100009816987_200000210301 [0,1,0,0,0,0|2,0,0]=3 846 B11R1.41 CCCc1ncncc1SC 62a_200000210301_100009816987 [0,1,0,0,0,0|2,0,0]=3 847 B11R1.41 CCCc1ncncc1S[13CH3] 62a_100009816987_200025704644 [0,1,0,0,0,0|2,0,0]=3 848 B11R1.41 CCCc1ncncc1S[13CH3] 62a_200025704644_100009816987 [0,1,0,0,0,0|2,0,0]=3 849 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [0,1,0,0,0,0|3,0,0]=4 850 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [0,1,0,0,0,0|2,1,0]=4 853 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [0,1,0,0,0,0|2,1,0]=4 854 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [0,1,0,0,0,0|2,1,0]=4 855 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [0,1,0,0,0,0|2,1,0]=4 856 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [0,1,0,0,0,0|2,1,0]=4 857 B11R1.41 CCNc1ccccc1SC 34a_100000211160_100000210202 [0,1,0,0,0,0|2,0,0]=3 858 B11R1.41 CCNc1ccccc1SC 62a_114873767003_200000210301 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.41 CCNc1ccccc1SC 62a_200000210301_114873767003 [0,1,0,0,0,0|2,0,0]=3 860 B11R1.41 CCNc1ccccc1S[13CH3] 62a_114873767003_200025704644 [0,1,0,0,0,0|2,0,0]=3 861 B11R1.41 CCNc1ccccc1S[13CH3] 62a_200025704644_114873767003 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.41 CCNc1cncnc1CC 27a_100015525214_100009816992 [0,1,0,0,0,0|3,0,0]=4 863 B11R1.41 CCNc1ncccc1C#N 27a_100015525214_100000211984 [0,1,0,0,0,0|3,0,0]=4 864 B11R1.41 CCNc1nccnc1C#N 27a_100015525214_100000040484 [0,1,0,0,0,0|2,0,0]=3 865 B11R1.41 CCNc1nccnc1CC 27a_100015525214_100011995844 [0,1,0,0,0,0|1,0,0]=2 866 B11R1.41 CCNc1nccnc1OC 27a_100015525214_100009858322 [0,1,0,0,0,0|0,1,0]=2 867 B11R1.41 CCNc1ncncc1CC 27a_100015525214_200000100055 [0,1,0,0,0,0|3,0,0]=4 868 B11R1.41 CCNc1ncncc1OC 27a_100015525214_100012001275 [0,1,0,0,0,0|2,1,0]=4 869 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [0,1,0,0,0,0|2,1,0]=4 870 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [0,1,0,0,0,0|2,1,0]=4 871 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [0,1,0,0,0,0|3,0,0]=4 872 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [0,1,0,0,0,0|3,0,0]=4 873 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [0,1,0,0,0,0|3,0,0]=4 874 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [0,1,0,0,0,0|2,1,0]=4 875 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [0,1,0,0,0,0|2,1,0]=4 876 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [0,1,0,0,0,0|2,1,0]=4 877 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [0,1,0,0,0,0|2,1,0]=4 878 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [0,1,0,0,0,0|2,1,0]=4 879 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [0,1,0,0,0,0|2,0,0]=3 880 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [0,1,0,0,0,0|2,0,0]=3 881 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [0,1,0,0,0,0|2,0,0]=3 882 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [0,1,0,0,0,0|2,0,0]=3 883 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [0,1,0,0,0,0|2,0,0]=3 884 B11R1.41 CCOc1cccnc1C#N 34a_100000722750_100000210202 [0,1,0,0,0,0|3,0,0]=4 885 B11R1.41 CCOc1cccnc1C#N 7a_100000722750_100000210202 [0,1,0,0,0,0|3,0,0]=4 886 B11R1.41 CCOc1cccnc1CBr 34a_200020655725_100000210202 [0,1,0,0,0,0|2,1,0]=4 887 B11R1.41 CCOc1cccnc1CBr 7a_200020655725_100000210202 [0,1,0,0,0,0|2,1,0]=4 888 B11R1.41 CCOc1cccnc1CO 34a_100000731849_100000210202 [0,1,0,0,0,0|2,1,0]=4 889 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [0,1,0,0,0,0|1,1,0]=3 890 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [0,1,0,0,0,0|1,1,0]=3 891 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [0,1,0,0,0,0|1,0,0]=2 892 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [0,1,0,0,0,0|1,0,0]=2 893 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [0,1,0,0,0,0|1,0,0]=2 894 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [0,1,0,0,0,0|1,0,0]=2 895 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [0,1,0,0,0,0|1,1,0]=3 896 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [0,1,0,0,0,0|1,1,0]=3 897 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [0,1,0,0,0,0|1,1,0]=3 898 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [0,1,0,0,0,0|1,0,0]=2 899 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [0,1,0,0,0,0|1,0,0]=2 900 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [0,1,0,0,0,0|1,0,0]=2 901 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [0,1,0,0,0,0|1,0,0]=2 902 B11R1.41 CCOc1nccnc1NC 27a_100102657272_200010128176 [0,1,0,0,0,0|1,0,0]=2 903 B11R1.41 CCOc1nccnc1SC 62a_200000210301_200010128176 [0,1,0,0,0,0|0,0,0]=1 904 B11R1.41 CCOc1nccnc1SC 62a_200010128176_200000210301 [0,1,0,0,0,0|0,0,0]=1 905 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200010128176_200025704644 [0,1,0,0,0,0|0,0,0]=1 906 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200025704644_200010128176 [0,1,0,0,0,0|0,0,0]=1 907 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.41 CCSc1ccccc1CN 62a_100000210202_100000689332 [0,1,0,0,0,0|3,0,0]=4 910 B11R1.41 CCSc1ccccc1CN 62a_100000689332_100000210202 [0,1,0,0,0,0|3,0,0]=4 911 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [0,1,0,0,0,0|3,0,0]=4 912 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [0,1,0,0,0,0|3,0,0]=4 913 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [0,1,0,0,0,0|3,0,0]=4 914 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [0,1,0,0,0,0|3,0,0]=4 915 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [0,1,0,0,0,0|2,1,0]=4 918 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [0,1,0,0,0,0|2,1,0]=4 919 B11R1.41 CCSc1ccccc1SC 62a_100000210202_100011217816 [0,1,0,0,0,0|2,0,0]=3 920 B11R1.41 CCSc1ccccc1SC 62a_100000230856_200000210301 [0,1,0,0,0,0|2,0,0]=3 921 B11R1.41 CCSc1ccccc1SC 62a_100011217816_100000210202 [0,1,0,0,0,0|2,0,0]=3 922 B11R1.41 CCSc1ccccc1SC 62a_200000210301_100000230856 [0,1,0,0,0,0|2,0,0]=3 923 B11R1.41 CCSc1ccccc1S[13CH3] 62a_100000230856_200025704644 [0,1,0,0,0,0|2,0,0]=3 924 B11R1.41 CCSc1ccccc1S[13CH3] 62a_200025704644_100000230856 [0,1,0,0,0,0|2,0,0]=3 925 B11R1.41 CCSc1cccnc1C#N 62a_100000210202_100000685805 [0,1,0,0,0,0|2,0,1]=4 926 B11R1.41 CCSc1cccnc1C=O 62a_100000210202_100011934733 [0,1,0,0,0,0|2,0,1]=4 927 B11R1.41 CCSc1cccnc1C=O 62a_100011934733_100000210202 [0,1,0,0,0,0|2,0,1]=4 928 B11R1.41 CCSc1cccnc1CC 62a_100000210202_100009877225 [0,1,0,0,0,0|1,0,0]=2 929 B11R1.41 CCSc1cccnc1CC 62a_100009877225_100000210202 [0,1,0,0,0,0|1,0,0]=2 930 B11R1.41 CCSc1cccnc1CN 62a_100000210202_100020591323 [0,1,0,0,0,0|2,0,0]=3 931 B11R1.41 CCSc1cccnc1CN 62a_100020591323_100000210202 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.41 CCSc1cccnc1CO 62a_100000210202_100011996772 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.41 CCSc1cccnc1CO 62a_100011996772_100000210202 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.41 CCSc1cccnc1NC 62a_100000210202_100000700899 [0,1,0,0,0,0|2,0,0]=3 935 B11R1.41 CCSc1cccnc1NC 62a_100000700899_100000210202 [0,1,0,0,0,0|2,0,0]=3 936 B11R1.41 CCSc1cccnc1NN 62a_100000210202_100011464834 [0,1,0,0,0,0|3,0,0]=4 937 B11R1.41 CCSc1cccnc1NN 62a_100011464834_100000210202 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [0,1,0,0,0,0|1,1,0]=3 939 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [0,1,0,0,0,0|1,1,0]=3 940 B11R1.41 CCSc1cccnc1SC 62a_100000210202_100011465278 [0,1,0,0,0,0|1,0,0]=2 941 B11R1.41 CCSc1cccnc1SC 62a_100011465278_100000210202 [0,1,0,0,0,0|1,0,0]=2 942 B11R1.41 CCSc1ccncc1CC 62a_100000210202_100025704421 [0,1,0,0,0,0|3,0,0]=4 943 B11R1.41 CCSc1ccncc1CC 62a_100025704421_100000210202 [0,1,0,0,0,0|3,0,0]=4 944 B11R1.41 CCSc1cnccc1CC 62a_100000210202_100009819861 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.41 CCSc1cnccc1CC 62a_100009819861_100000210202 [0,1,0,0,0,0|3,0,0]=4 946 B11R1.41 CCSc1cncnc1CC 62a_100000210202_100009816992 [0,1,0,0,0,0|2,0,0]=3 947 B11R1.41 CCSc1cncnc1CC 62a_100009816992_100000210202 [0,1,0,0,0,0|2,0,0]=3 948 B11R1.41 CCSc1cncnc1NC 62a_100000210202_200012180720 [0,1,0,0,0,0|3,0,0]=4 949 B11R1.41 CCSc1cncnc1NC 62a_200012180720_100000210202 [0,1,0,0,0,0|3,0,0]=4 950 B11R1.41 CCSc1cncnc1OC 62a_100000210202_100000719902 [0,1,0,0,0,0|2,1,0]=4 951 B11R1.41 CCSc1cncnc1OC 62a_100000719902_100000210202 [0,1,0,0,0,0|2,1,0]=4 952 B11R1.41 CCSc1ncccc1C#N 62a_100000210202_100000211984 [0,1,0,0,0,0|2,0,1]=4 953 B11R1.41 CCSc1ncccc1C=O 62a_100000210202_100009816751 [0,1,0,0,0,0|2,0,1]=4 954 B11R1.41 CCSc1ncccc1C=O 62a_100009816751_100000210202 [0,1,0,0,0,0|2,0,1]=4 955 B11R1.41 CCSc1ncccc1CN 62a_100000210202_100015189234 [0,1,0,0,0,0|2,0,0]=3 956 B11R1.41 CCSc1ncccc1CN 62a_100015189234_100000210202 [0,1,0,0,0,0|2,0,0]=3 957 B11R1.41 CCSc1ncccc1CO 62a_100000210202_100000748726 [0,1,0,0,0,0|2,0,0]=3 958 B11R1.41 CCSc1ncccc1CO 62a_100000748726_100000210202 [0,1,0,0,0,0|2,0,0]=3 959 B11R1.41 CCSc1ncccc1NC 62a_100000210202_200011806188 [0,1,0,0,0,0|2,0,0]=3 960 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [0,1,0,0,0,0|1,1,0]=3 961 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [0,1,0,0,0,0|1,1,0]=3 962 B11R1.41 CCSc1nccnc1C#N 62a_100000210202_100000040484 [0,1,0,0,0,0|1,0,1]=3 963 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [0,1,0,0,0,0|1,0,1]=3 964 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [0,1,0,0,0,0|1,0,1]=3 965 B11R1.41 CCSc1nccnc1CC 62a_100000210202_100011995844 [0,1,0,0,0,0|0,0,0]=1 966 B11R1.41 CCSc1nccnc1CC 62a_100011995844_100000210202 [0,1,0,0,0,0|0,0,0]=1 967 B11R1.41 CCSc1nccnc1CN 62a_100000210202_100000729963 [0,1,0,0,0,0|1,0,0]=2 968 B11R1.41 CCSc1nccnc1CN 62a_100000729963_100000210202 [0,1,0,0,0,0|1,0,0]=2 969 B11R1.41 CCSc1nccnc1CO 62a_100000057004_100000210202 [0,1,0,0,0,0|1,0,0]=2 970 B11R1.41 CCSc1nccnc1CO 62a_100000210202_100000057004 [0,1,0,0,0,0|1,0,0]=2 971 B11R1.41 CCSc1nccnc1NC 62a_100000210202_100011529439 [0,1,0,0,0,0|1,0,0]=2 972 B11R1.41 CCSc1nccnc1NN 62a_100000210202_100000755098 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.41 CCSc1nccnc1OC 62a_100000210202_100000749998 [0,1,0,0,0,0|0,1,0]=2 974 B11R1.41 CCSc1nccnc1OC 62a_100009858322_100000210202 [0,1,0,0,0,0|0,1,0]=2 975 B11R1.41 CCSc1ncncc1CC 62a_100000210202_200000100055 [0,1,0,0,0,0|2,0,0]=3 976 B11R1.41 CCSc1ncncc1CC 62a_200000100055_100000210202 [0,1,0,0,0,0|2,0,0]=3 977 B11R1.41 CCSc1ncncc1OC 62a_100000210202_100012001275 [0,1,0,0,0,0|2,1,0]=4 978 B11R1.41 CCSc1ncncc1OC 62a_100012001275_100000210202 [0,1,0,0,0,0|2,1,0]=4 979 B11R1.41 CCc1ccccc1CNC 207a_100102657272_100011219594 [0,1,0,0,0,0|3,0,0]=4 980 B11R1.41 CCc1ccccc1CNC 270004a_106832991635_100011219594 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [0,1,0,0,0,0|2,1,0]=4 982 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [0,1,0,0,0,0|2,1,0]=4 983 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [0,1,0,0,0,0|2,1,0]=4 984 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [0,1,0,0,0,0|2,1,0]=4 985 B11R1.41 CCc1ccccc1NCF 34a_100000212081_100015361967 [0,1,0,0,0,0|3,0,0]=4 986 B11R1.41 CCc1ccccc1NCF 7a_100000212081_100015361967 [0,1,0,0,0,0|3,0,0]=4 987 B11R1.41 CCc1ccccc1OCF 34a_100000210936_100015361967 [0,1,0,0,0,0|2,1,0]=4 988 B11R1.41 CCc1ccccc1OCF 7a_100000210936_100015361967 [0,1,0,0,0,0|2,1,0]=4 989 B11R1.41 CCc1ccccc1SCF 62a_100011215823_100015361967 [0,1,0,0,0,0|2,0,0]=3 990 B11R1.41 CCc1ccccc1SCF 62a_100015361967_100011215823 [0,1,0,0,0,0|2,0,0]=3 991 B11R1.41 CCc1ccncc1SCF 62a_100009819861_100015361967 [0,1,0,0,0,0|3,0,0]=4 992 B11R1.41 CCc1ccncc1SCF 62a_100015361967_100009819861 [0,1,0,0,0,0|3,0,0]=4 993 B11R1.41 CCc1cnccc1SCF 62a_100015361967_100025704421 [0,1,0,0,0,0|3,0,0]=4 994 B11R1.41 CCc1cnccc1SCF 62a_100025704421_100015361967 [0,1,0,0,0,0|3,0,0]=4 995 B11R1.41 CCc1cncnc1SCF 62a_100015361967_200000100055 [0,1,0,0,0,0|2,0,0]=3 996 B11R1.41 CCc1cncnc1SCF 62a_200000100055_100015361967 [0,1,0,0,0,0|2,0,0]=3 997 B11R1.41 CCc1ncccc1SCF 62a_100009877225_100015361967 [0,1,0,0,0,0|1,0,0]=2 998 B11R1.41 CCc1ncccc1SCF 62a_100015361967_100009877225 [0,1,0,0,0,0|1,0,0]=2 999 B11R1.41 CCc1nccnc1SCF 62a_100011995844_100015361967 [0,1,0,0,0,0|0,0,0]=1 1000 B11R1.41 CCc1nccnc1SCF 62a_100015361967_100011995844 [0,1,0,0,0,0|0,0,0]=1 1001 B11R1.41 CCc1ncncc1SCF 62a_100009816992_100015361967 [0,1,0,0,0,0|2,0,0]=3 1002 B11R1.41 CCc1ncncc1SCF 62a_100015361967_100009816992 [0,1,0,0,0,0|2,0,0]=3 1003 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [0,1,0,0,0,0|2,1,0]=4 1004 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [0,1,0,0,0,0|2,1,0]=4 1005 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [0,1,0,0,0,0|2,1,0]=4 1006 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [0,1,0,0,0,0|2,1,0]=4 1007 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [0,1,0,0,0,0|2,1,0]=4 1008 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [0,1,0,0,0,0|2,1,0]=4 1009 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [0,1,0,0,0,0|2,1,0]=4 1010 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [0,1,0,0,0,0|2,1,0]=4 1011 B11R1.41 CNCc1ccccc1SC 207a_100102657272_100011217347 [0,1,0,0,0,0|2,0,0]=3 1012 B11R1.41 CNCc1ccccc1SC 2230a_106832991635_100000699184 [0,1,0,0,0,0|2,0,0]=3 1013 B11R1.41 CNCc1ccccc1SC 270004a_106832991635_100011217347 [0,1,0,0,0,0|2,0,0]=3 1014 B11R1.41 CNCc1ccccc1SC 34a_100102657272_100000699184 [0,1,0,0,0,0|2,0,0]=3 1015 B11R1.41 CNCc1ccccc1SC 34a_102495365025_200000210301 [0,1,0,0,0,0|2,0,0]=3 1016 B11R1.41 CNCc1ccccc1SC 62a_100000184654_200000210301 [0,1,0,0,0,0|2,0,0]=3 1017 B11R1.41 CNCc1ccccc1SC 62a_200000210301_100000184654 [0,1,0,0,0,0|2,0,0]=3 1018 B11R1.41 CNCc1ccccc1SC 7a_106832991635_100000699184 [0,1,0,0,0,0|2,0,0]=3 1019 B11R1.41 CNCc1ccccc1S[13CH3] 62a_100000184654_200025704644 [0,1,0,0,0,0|2,0,0]=3 1020 B11R1.41 CNCc1ccccc1S[13CH3] 62a_200025704644_100000184654 [0,1,0,0,0,0|2,0,0]=3 1021 B11R1.41 CNCc1cccnc1C#N 2230a_106832991635_100011768898 [0,1,0,0,0,0|3,0,0]=4 1022 B11R1.41 CNCc1cccnc1C#N 34a_100102657272_100011768898 [0,1,0,0,0,0|3,0,0]=4 1023 B11R1.41 CNCc1cccnc1C#N 7a_106832991635_100011768898 [0,1,0,0,0,0|3,0,0]=4 1024 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [0,1,0,0,0,0|1,1,0]=3 1025 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [0,1,0,0,0,0|1,1,0]=3 1026 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [0,1,0,0,0,0|1,1,0]=3 1027 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [0,1,0,0,0,0|1,1,0]=3 1028 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [0,1,0,0,0,0|1,1,0]=3 1029 B11R1.41 CNCc1cccnc1SC 62a_103496529121_200000210301 [0,1,0,0,0,0|1,0,0]=2 1030 B11R1.41 CNCc1cccnc1SC 62a_200000210301_103496529121 [0,1,0,0,0,0|1,0,0]=2 1031 B11R1.41 CNCc1cccnc1S[13CH3] 62a_103496529121_200025704644 [0,1,0,0,0,0|1,0,0]=2 1032 B11R1.41 CNCc1cccnc1S[13CH3] 62a_200025704644_103496529121 [0,1,0,0,0,0|1,0,0]=2 1033 B11R1.41 CNCc1ncccc1C#N 2230a_106832991635_100000099805 [0,1,0,0,0,0|3,0,0]=4 1034 B11R1.41 CNCc1ncccc1C#N 7a_106832991635_100000099805 [0,1,0,0,0,0|3,0,0]=4 1035 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [0,1,0,0,0,0|1,1,0]=3 1036 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [0,1,0,0,0,0|1,1,0]=3 1037 B11R1.41 CNc1ccccc1CCO 2230a_100011215289_200000210301 [0,1,0,0,0,0|3,0,0]=4 1038 B11R1.41 CNc1ccccc1CCO 34a_100011215289_200000210301 [0,1,0,0,0,0|3,0,0]=4 1039 B11R1.41 CNc1ccccc1SCF 62a_100015361967_100020606079 [0,1,0,0,0,0|3,0,0]=4 1040 B11R1.41 CNc1ccccc1SCF 62a_100020606079_100015361967 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.41 CNc1cccnc1SCF 62a_100015361967_200011806188 [0,1,0,0,0,0|2,0,0]=3 1042 B11R1.41 CNc1ncccc1SCF 62a_100000700899_100015361967 [0,1,0,0,0,0|2,0,0]=3 1043 B11R1.41 CNc1ncccc1SCF 62a_100015361967_100000700899 [0,1,0,0,0,0|2,0,0]=3 1044 B11R1.41 CNc1nccnc1SCF 62a_100015361967_100011529439 [0,1,0,0,0,0|1,0,0]=2 1045 B11R1.41 CNc1ncncc1SCF 62a_100015361967_200012180720 [0,1,0,0,0,0|3,0,0]=4 1046 B11R1.41 CNc1ncncc1SCF 62a_200012180720_100015361967 [0,1,0,0,0,0|3,0,0]=4 1047 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [0,1,0,0,0,0|2,1,0]=4 1048 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [0,1,0,0,0,0|2,1,0]=4 1049 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [0,1,0,0,0,0|2,1,0]=4 1050 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [0,1,0,0,0,0|2,1,0]=4 1051 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [0,1,0,0,0,0|2,1,0]=4 1052 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [0,1,0,0,0,0|2,1,0]=4 1053 B11R1.41 COCc1ccccc1SC 34a_100000699167_200000210301 [0,1,0,0,0,0|2,0,0]=3 1054 B11R1.41 COCc1ccccc1SC 34a_100138415774_100000699184 [0,1,0,0,0,0|2,0,0]=3 1055 B11R1.41 COCc1ccccc1SC 62a_100011493684_200000210301 [0,1,0,0,0,0|2,0,0]=3 1056 B11R1.41 COCc1ccccc1SC 62a_200000210301_100011493684 [0,1,0,0,0,0|2,0,0]=3 1057 B11R1.41 COCc1ccccc1S[13CH3] 62a_100011493684_200025704644 [0,1,0,0,0,0|2,0,0]=3 1058 B11R1.41 COCc1ccccc1S[13CH3] 62a_200025704644_100011493684 [0,1,0,0,0,0|2,0,0]=3 1059 B11R1.41 COCc1cccnc1C#N 34a_100138415774_100011768898 [0,1,0,0,0,0|3,0,0]=4 1060 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [0,1,0,0,0,0|1,1,0]=3 1061 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [0,1,0,0,0,0|1,1,0]=3 1062 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [0,1,0,0,0,0|1,1,0]=3 1063 B11R1.41 COc1ccccc1CCBr 34a_100000722297_200000210301 [0,1,0,0,0,0|2,1,0]=4 1064 B11R1.41 COc1ccccc1CCBr 7a_100000722297_200000210301 [0,1,0,0,0,0|2,1,0]=4 1065 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [0,1,0,0,0,0|2,1,0]=4 1066 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [0,1,0,0,0,0|2,1,0]=4 1067 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [0,1,0,0,0,0|2,1,0]=4 1068 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [0,1,0,0,0,0|2,1,0]=4 1069 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [0,1,0,0,0,0|2,1,0]=4 1070 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [0,1,0,0,0,0|2,1,0]=4 1071 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [0,1,0,0,0,0|2,1,0]=4 1072 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [0,1,0,0,0,0|2,1,0]=4 1073 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [0,1,0,0,0,0|2,1,0]=4 1074 B11R1.41 COc1ccccc1SCF 62a_100000210334_100015361967 [0,1,0,0,0,0|3,0,0]=4 1075 B11R1.41 COc1ccccc1SCF 62a_100015361967_100000210334 [0,1,0,0,0,0|3,0,0]=4 1076 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [0,1,0,0,0,0|1,1,0]=3 1077 B11R1.41 COc1cccnc1OCF 34a_100025773188_100015361967 [0,1,0,0,0,0|2,1,0]=4 1078 B11R1.41 COc1cccnc1SCF 62a_100000767102_100015361967 [0,1,0,0,0,0|2,0,0]=3 1079 B11R1.41 COc1cccnc1SCF 62a_100015361967_100000690851 [0,1,0,0,0,0|2,0,0]=3 1080 B11R1.41 COc1cncnc1SCF 62a_100012001275_100015361967 [0,1,0,0,0,0|3,0,0]=4 1081 B11R1.41 COc1cncnc1SCF 62a_100015361967_100012001275 [0,1,0,0,0,0|3,0,0]=4 1082 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [0,1,0,0,0,0|1,1,0]=3 1083 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [0,1,0,0,0,0|1,1,0]=3 1084 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [0,1,0,0,0,0|1,1,0]=3 1085 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [0,1,0,0,0,0|1,1,0]=3 1086 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [0,1,0,0,0,0|1,1,0]=3 1087 B11R1.41 COc1ncccc1OCF 34a_100000698397_100015361967 [0,1,0,0,0,0|2,1,0]=4 1088 B11R1.41 COc1ncccc1OCF 7a_100000698397_100015361967 [0,1,0,0,0,0|2,1,0]=4 1089 B11R1.41 COc1ncccc1SCF 62a_100000047025_100015361967 [0,1,0,0,0,0|2,0,0]=3 1090 B11R1.41 COc1ncccc1SCF 62a_100015361967_100000047025 [0,1,0,0,0,0|2,0,0]=3 1091 B11R1.41 COc1nccnc1SCF 62a_100009858322_100015361967 [0,1,0,0,0,0|1,0,0]=2 1092 B11R1.41 COc1nccnc1SCF 62a_100015361967_100000749998 [0,1,0,0,0,0|1,0,0]=2 1093 B11R1.41 COc1ncncc1SCF 62a_100000719902_100015361967 [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.41 COc1ncncc1SCF 62a_100015361967_100000719902 [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.41 CSCc1ccccc1CO 62a_100009816955_200000210301 [0,1,0,0,0,0|3,0,0]=4 1096 B11R1.41 CSCc1ccccc1CO 62a_200000210301_100009816955 [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.41 CSCc1ccccc1SC 62a_100000148299_200000210301 [0,1,0,0,0,0|2,0,0]=3 1098 B11R1.41 CSCc1ccccc1SC 62a_100000699184_200000210301 [0,1,0,0,0,0|2,0,0]=3 1099 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000148299 [0,1,0,0,0,0|2,0,0]=3 1100 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000699184 [0,1,0,0,0,0|2,0,0]=3 1101 B11R1.41 CSCc1ccccc1S[13CH3] 62a_100000148299_200025704644 [0,1,0,0,0,0|2,0,0]=3 1102 B11R1.41 CSCc1ccccc1S[13CH3] 62a_200025704644_100000148299 [0,1,0,0,0,0|2,0,0]=3 1103 B11R1.41 CSCc1cccnc1C#N 62a_200000210301_100011768898 [0,1,0,0,0,0|2,0,1]=4 1104 B11R1.41 CSCc1ncccc1C#N 62a_200000210301_100000099805 [0,1,0,0,0,0|2,0,1]=4 1105 B11R1.41 CSc1ccccc1CC#N 62a_100000033512_200000210301 [0,1,0,0,0,0|2,0,1]=4 1106 B11R1.41 CSc1ccccc1CC#N 62a_200000210301_100000033512 [0,1,0,0,0,0|2,0,1]=4 1107 B11R1.41 CSc1ccccc1CCN 62a_100000747383_200000210301 [0,1,0,0,0,0|2,0,0]=3 1108 B11R1.41 CSc1ccccc1CCN 62a_200000210301_100000747383 [0,1,0,0,0,0|2,0,0]=3 1109 B11R1.41 CSc1ccccc1CCO 62a_100000731337_200000210301 [0,1,0,0,0,0|2,0,0]=3 1110 B11R1.41 CSc1ccccc1CCO 62a_200000210301_100000731337 [0,1,0,0,0,0|2,0,0]=3 1111 B11R1.41 CSc1ccccc1CNN 62a_200000210301_200016993956 [0,1,0,0,0,0|3,0,0]=4 1112 B11R1.41 CSc1ccccc1CNN 62a_200016993956_200000210301 [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.41 CSc1ccccc1CN[13CH3] 34a_102495365025_200025704644 [0,1,0,0,0,0|2,0,0]=3 1114 B11R1.41 CSc1ccccc1CO[13CH3] 34a_100000699167_200025704644 [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.41 CSc1ccccc1CS[13CH3] 62a_100000699184_200025704644 [0,1,0,0,0,0|2,0,0]=3 1116 B11R1.41 CSc1ccccc1CS[13CH3] 62a_200025704644_100000699184 [0,1,0,0,0,0|2,0,0]=3 1117 B11R1.41 CSc1ccccc1NCF 34a_100000211160_100015361967 [0,1,0,0,0,0|3,0,0]=4 1118 B11R1.41 CSc1ccccc1OCF 34a_100011216402_100015361967 [0,1,0,0,0,0|3,0,0]=4 1119 B11R1.41 CSc1ccccc1SCF 62a_100011217816_100015361967 [0,1,0,0,0,0|3,0,0]=4 1120 B11R1.41 CSc1ccccc1SCF 62a_100015361967_100011217816 [0,1,0,0,0,0|3,0,0]=4 1121 B11R1.41 CSc1cccnc1CC#N 62a_100011824415_200000210301 [0,1,0,0,0,0|1,0,1]=3 1122 B11R1.41 CSc1cccnc1CC#N 62a_200000210301_100011824415 [0,1,0,0,0,0|1,0,1]=3 1123 B11R1.41 CSc1cccnc1N=[N+]=[N-] 62a_200000210301_100012787798 [0,1,0,0,0,0|3,0,0]=4 1124 B11R1.41 CSc1ncccc1CC#N 62a_100000096391_200000210301 [0,1,0,0,0,0|1,0,1]=3 1125 B11R1.41 CSc1ncccc1CC#N 62a_200000210301_100000096391 [0,1,0,0,0,0|1,0,1]=3 1126 B11R1.41 CSc1ncccc1SCF 62a_100011465278_100015361967 [0,1,0,0,0,0|2,0,0]=3 1127 B11R1.41 CSc1ncccc1SCF 62a_100015361967_100011465278 [0,1,0,0,0,0|2,0,0]=3 1128 B11R1.41 FCOc1cccnc1CBr 34a_200020655725_100015361967 [0,1,0,0,0,0|2,1,0]=4 1129 B11R1.41 FCOc1cccnc1CBr 7a_200020655725_100015361967 [0,1,0,0,0,0|2,1,0]=4 1130 B11R1.41 N#Cc1cccnc1SCF 62a_100015361967_100000211984 [0,1,0,0,0,0|2,0,1]=4 1131 B11R1.41 N#Cc1ncccc1SCF 62a_100015361967_100000685805 [0,1,0,0,0,0|2,0,1]=4 1132 B11R1.41 N#Cc1nccnc1SCF 62a_100015361967_100000040484 [0,1,0,0,0,0|1,0,1]=3 1133 B11R1.41 NCc1ccccc1SCF 62a_100000689332_100015361967 [0,1,0,0,0,0|3,0,0]=4 1134 B11R1.41 NCc1ccccc1SCF 62a_100015361967_100000689332 [0,1,0,0,0,0|3,0,0]=4 1135 B11R1.41 NCc1cccnc1SCF 62a_100015189234_100015361967 [0,1,0,0,0,0|2,0,0]=3 1136 B11R1.41 NCc1cccnc1SCF 62a_100015361967_100015189234 [0,1,0,0,0,0|2,0,0]=3 1137 B11R1.41 NCc1ncccc1SCF 62a_100015361967_100020591323 [0,1,0,0,0,0|2,0,0]=3 1138 B11R1.41 NCc1ncccc1SCF 62a_100020591323_100015361967 [0,1,0,0,0,0|2,0,0]=3 1139 B11R1.41 NCc1nccnc1SCF 62a_100000729963_100015361967 [0,1,0,0,0,0|1,0,0]=2 1140 B11R1.41 NCc1nccnc1SCF 62a_100015361967_100000729963 [0,1,0,0,0,0|1,0,0]=2 1141 B11R1.41 NNc1ncccc1SCF 62a_100011464834_100015361967 [0,1,0,0,0,0|3,0,0]=4 1142 B11R1.41 NNc1ncccc1SCF 62a_100015361967_100011464834 [0,1,0,0,0,0|3,0,0]=4 1143 B11R1.41 NNc1nccnc1SCF 62a_100015361967_100000755098 [0,1,0,0,0,0|2,0,0]=3 1144 B11R1.41 O=Cc1cccnc1SCF 62a_100009816751_100015361967 [0,1,0,0,0,0|2,0,1]=4 1145 B11R1.41 O=Cc1cccnc1SCF 62a_100015361967_100009816751 [0,1,0,0,0,0|2,0,1]=4 1146 B11R1.41 O=Cc1ncccc1SCF 62a_100011934733_100015361967 [0,1,0,0,0,0|2,0,1]=4 1147 B11R1.41 O=Cc1ncccc1SCF 62a_100015361967_100011934733 [0,1,0,0,0,0|2,0,1]=4 1148 B11R1.41 O=Cc1nccnc1SCF 62a_100000051000_100015361967 [0,1,0,0,0,0|1,0,1]=3 1149 B11R1.41 O=Cc1nccnc1SCF 62a_100015361967_100000051000 [0,1,0,0,0,0|1,0,1]=3 1150 B11R1.41 OCc1ccccc1SCF 62a_100000187465_100015361967 [0,1,0,0,0,0|3,0,0]=4 1151 B11R1.41 OCc1ccccc1SCF 62a_100015361967_100000187465 [0,1,0,0,0,0|3,0,0]=4 1152 B11R1.41 OCc1cccnc1SCF 62a_100000748726_100015361967 [0,1,0,0,0,0|2,0,0]=3 1153 B11R1.41 OCc1cccnc1SCF 62a_100015361967_100000748726 [0,1,0,0,0,0|2,0,0]=3 1154 B11R1.41 OCc1ncccc1OCF 34a_100000731849_100015361967 [0,1,0,0,0,0|2,1,0]=4 1155 B11R1.41 OCc1ncccc1SCF 62a_100011996772_100015361967 [0,1,0,0,0,0|2,0,0]=3 1156 B11R1.41 OCc1ncccc1SCF 62a_100015361967_100011996772 [0,1,0,0,0,0|2,0,0]=3 1157 B11R1.41 OCc1nccnc1SCF 62a_100000057004_100015361967 [0,1,0,0,0,0|1,0,0]=2 1158 B11R1.41 OCc1nccnc1SCF 62a_100015361967_100000057004 [0,1,0,0,0,0|1,0,0]=2 1159 B11R1.41 [13CH3]Nc1ccccc1CCO 2230a_100011215289_200025704644 [0,1,0,0,0,0|3,0,0]=4 1160 B11R1.41 [13CH3]Nc1ccccc1CCO 34a_100011215289_200025704644 [0,1,0,0,0,0|3,0,0]=4 1161 B11R1.41 [13CH3]Oc1ccccc1CCBr 34a_100000722297_200025704644 [0,1,0,0,0,0|2,1,0]=4 1162 B11R1.41 [13CH3]Oc1ccccc1CCBr 7a_100000722297_200025704644 [0,1,0,0,0,0|2,1,0]=4 1163 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [0,1,0,0,0,0|2,1,0]=4 1164 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [0,1,0,0,0,0|2,1,0]=4 1165 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [0,1,0,0,0,0|2,1,0]=4 1166 B11R1.41 [13CH3]SCc1ccccc1CO 62a_100009816955_200025704644 [0,1,0,0,0,0|3,0,0]=4 1167 B11R1.41 [13CH3]SCc1ccccc1CO 62a_200025704644_100009816955 [0,1,0,0,0,0|3,0,0]=4 1168 B11R1.41 [13CH3]SCc1cccnc1C#N 62a_200025704644_100011768898 [0,1,0,0,0,0|2,0,1]=4 1169 B11R1.41 [13CH3]SCc1ncccc1C#N 62a_200025704644_100000099805 [0,1,0,0,0,0|2,0,1]=4 1170 B11R1.41 [13CH3]Sc1ccccc1CC#N 62a_100000033512_200025704644 [0,1,0,0,0,0|2,0,1]=4 1171 B11R1.41 [13CH3]Sc1ccccc1CC#N 62a_200025704644_100000033512 [0,1,0,0,0,0|2,0,1]=4 1172 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_100000747383_200025704644 [0,1,0,0,0,0|2,0,0]=3 1173 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_200025704644_100000747383 [0,1,0,0,0,0|2,0,0]=3 1174 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_100000731337_200025704644 [0,1,0,0,0,0|2,0,0]=3 1175 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_200025704644_100000731337 [0,1,0,0,0,0|2,0,0]=3 1176 B11R1.41 [13CH3]Sc1ccccc1CNN 62a_200016993956_200025704644 [0,1,0,0,0,0|3,0,0]=4 1177 B11R1.41 [13CH3]Sc1ccccc1CNN 62a_200025704644_200016993956 [0,1,0,0,0,0|3,0,0]=4 1178 B11R1.41 [13CH3]Sc1cccnc1CC#N 62a_100011824415_200025704644 [0,1,0,0,0,0|1,0,1]=3 1179 B11R1.41 [13CH3]Sc1cccnc1CC#N 62a_200025704644_100011824415 [0,1,0,0,0,0|1,0,1]=3 1180 B11R1.41 [13CH3]Sc1cccnc1N=[N+]=[N-] 62a_200025704644_100012787798 [0,1,0,0,0,0|3,0,0]=4 1181 B11R1.41 [13CH3]Sc1ncccc1CC#N 62a_100000096391_200025704644 [0,1,0,0,0,0|1,0,1]=3 1182 B11R1.41 [13CH3]Sc1ncccc1CC#N 62a_200025704644_100000096391 [0,1,0,0,0,0|1,0,1]=3 1183 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,1,0,0,0,0|3,0,0]=4 1184 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,1,0,0,0,0|2,0,1]=4 1185 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,1,0,0,0,0|2,0,0]=3 1186 B11R1.53 C=C(C)c1cccnc1CN 271570a_100000694244_100020591323 [0,1,0,0,0,0|3,0,0]=4 1187 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,1,0,0,0,0|3,0,0]=4 1188 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,1,0,0,0,0|2,0,1]=4 1189 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,1,0,0,0,0|1,1,1]=4 1190 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,1,0,0,0,0|1,0,1]=3 1191 B11R1.53 C=C(C)c1cncnc1CC 271570a_100000694244_100009816992 [0,1,0,0,0,0|3,0,0]=4 1192 B11R1.53 C=C(C)c1ncccc1CN 271570a_100000694244_100015189234 [0,1,0,0,0,0|3,0,0]=4 1193 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,1,0,0,0,0|3,0,0]=4 1194 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,1,0,0,0,0|2,0,1]=4 1195 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,1,0,0,0,0|1,1,1]=4 1196 B11R1.53 C=C(C)c1nccnc1C#N 271570a_100000694244_100000040484 [0,1,0,0,0,0|2,0,1]=4 1197 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,1,0,0,0,0|1,0,0]=2 1198 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [0,1,0,0,0,0|2,0,0]=3 1199 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [0,1,0,0,0,0|2,0,0]=3 1200 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [0,1,0,0,0,0|1,0,1]=3 1201 B11R1.53 C=C(C)c1nccnc1NN 271570a_100000694244_100000755098 [0,1,0,0,0,0|2,0,1]=4 1202 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,1,0,0,0,0|0,1,1]=3 1203 B11R1.53 C=C(C)c1ncncc1CC 271570a_100000694244_200000100055 [0,1,0,0,0,0|3,0,0]=4 1204 B11R1.53 C=Cc1cccnc1C(C)N 271570a_100011290941_100159271932 [0,1,0,0,0,0|2,0,1]=4 1205 B11R1.53 C=Cc1cccnc1[C@H](C)O 271570a_100011290941_100013325542 [0,1,0,0,0,0|2,0,1]=4 1206 B11R1.53 C=Cc1ncccc1C(C)C 271570a_100011290941_200010382935 [0,1,0,0,0,0|2,0,1]=4 1207 B11R1.53 C=Cc1ncccc1C(C)O 271570a_100011290941_100009865335 [0,1,0,0,0,0|2,0,1]=4 1208 B11R1.53 C=Cc1nccnc1C(=O)C 271570a_100011290941_100000099859 [0,1,0,0,0,0|1,0,2]=4 1209 B11R1.53 C=Cc1nccnc1N(C)C 271570a_100011290941_100000703087 [0,1,0,0,0,0|1,0,2]=4 1210 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,1,0,0,0,0|2,0,1]=4 1211 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,1,0,0,0,0|1,0,1]=3 1212 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,1,0,0,0,0|1,0,1]=3 1213 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,1,0,0,0,0|1,1,1]=4 1214 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,1,0,0,0,0|1,1,1]=4 1215 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,1,0,0,0,0|1,0,1]=3 1216 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,1,0,0,0,0|1,0,1]=3 1217 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,1,0,0,0,0|0,0,1]=2 1218 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,1,0,0,0,0|0,0,1]=2 1219 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [0,1,0,0,0,0|3,0,0]=4 1220 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [0,1,0,0,0,0|3,0,0]=4 1221 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [0,1,0,0,0,0|3,0,0]=4 1222 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [0,1,0,0,0,0|2,1,0]=4 1223 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [0,1,0,0,0,0|2,1,0]=4 1224 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [0,1,0,0,0,0|2,0,0]=3 1225 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [0,1,0,0,0,0|2,0,0]=3 1226 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [0,1,0,0,0,0|1,0,0]=2 1227 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [0,1,0,0,0,0|1,0,0]=2 1228 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,1,0,0,0,0|1,1,0]=3 1229 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,1,0,0,0,0|1,1,0]=3 1230 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_100009816988_200025704644 [0,1,0,0,0,0|2,0,0]=3 1231 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_200025704644_100009816988 [0,1,0,0,0,0|2,0,0]=3 1232 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [0,1,0,0,0,0|2,0,0]=3 1233 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [0,1,0,0,0,0|2,0,0]=3 1234 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [0,1,0,0,0,0|1,0,0]=2 1235 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [0,1,0,0,0,0|1,0,0]=2 1236 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [0,1,0,0,0,0|3,0,0]=4 1237 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,1,0,0,0,0|2,1,0]=4 1238 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,1,0,0,0,0|2,1,0]=4 1239 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [0,1,0,0,0,0|2,0,0]=3 1240 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [0,1,0,0,0,0|2,0,0]=3 1241 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [0,1,0,0,0,0|1,0,0]=2 1242 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [0,1,0,0,0,0|1,0,0]=2 1243 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,1,0,0,0,0|3,0,0]=4 1244 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,1,0,0,0,0|3,0,0]=4 1245 B11R1.53 CCc1cncnc1N(C)C 27a_100102631434_200000100055 [0,1,0,0,0,0|3,0,0]=4 1246 B11R1.53 CCc1nccnc1N(C)C 27a_100102631434_100011995844 [0,1,0,0,0,0|1,0,0]=2 1247 B11R1.53 CCc1ncncc1N(C)C 27a_100102631434_100009816992 [0,1,0,0,0,0|3,0,0]=4 1248 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [0,1,0,0,0,0|3,0,0]=4 1249 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [0,1,0,0,0,0|3,0,0]=4 1250 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [0,1,0,0,0,0|2,0,0]=3 1251 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [0,1,0,0,0,0|2,0,0]=3 1252 B11R1.53 CN(C)c1nccnc1C#N 27a_100102631434_100000040484 [0,1,0,0,0,0|2,0,1]=4 1253 B11R1.53 CN(C)c1nccnc1S[13CH3] 62a_200025704644_100000703087 [0,1,0,0,0,0|1,0,0]=2 1254 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [0,1,0,0,0,0|3,0,0]=4 1255 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [0,1,0,0,0,0|3,0,0]=4 1256 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [0,1,0,0,0,0|3,0,0]=4 1257 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [0,1,0,0,0,0|3,0,0]=4 1258 B11R1.53 CNc1cncnc1C(C)C 27a_100102657272_100009816988 [0,1,0,0,0,0|3,0,0]=4 1259 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,1,0,0,0,0|2,0,1]=4 1260 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,1,0,0,0,0|1,0,1]=3 1261 B11R1.53 CNc1nccnc1C(=O)N 27a_100102657272_100000094861 [0,1,0,0,0,0|2,0,1]=4 1262 B11R1.53 CNc1nccnc1N(C)C 27a_100102657272_100000703087 [0,1,0,0,0,0|2,0,0]=3 1263 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [0,1,0,0,0,0|2,1,0]=4 1264 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [0,1,0,0,0,0|2,1,0]=4 1265 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,1,0,0,0,0|2,1,0]=4 1266 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,1,0,0,0,0|2,1,0]=4 1267 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [0,1,0,0,0,0|2,1,0]=4 1268 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,1,0,0,0,0|1,1,1]=4 1269 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,1,0,0,0,0|1,1,1]=4 1270 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,1,0,0,0,0|1,1,0]=3 1271 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,1,0,0,0,0|1,1,0]=3 1272 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [0,1,0,0,0,0|1,1,1]=4 1273 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [0,1,0,0,0,0|1,1,0]=3 1274 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,1,0,0,0,0|3,0,0]=4 1275 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,1,0,0,0,0|2,0,1]=4 1276 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,1,0,0,0,0|2,0,1]=4 1277 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,1,0,0,0,0|2,0,1]=4 1278 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [0,1,0,0,0,0|2,0,0]=3 1279 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [0,1,0,0,0,0|2,0,0]=3 1280 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [0,1,0,0,0,0|2,0,0]=3 1281 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [0,1,0,0,0,0|2,0,0]=3 1282 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [0,1,0,0,0,0|2,0,0]=3 1283 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [0,1,0,0,0,0|2,0,0]=3 1284 B11R1.53 CSc1ccccc1C(F)F 62a_100010169824_200000210301 [0,1,0,0,0,0|3,0,0]=4 1285 B11R1.53 CSc1ccccc1C(F)F 62a_200000210301_100010169824 [0,1,0,0,0,0|3,0,0]=4 1286 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [0,1,0,0,0,0|3,0,0]=4 1287 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [0,1,0,0,0,0|3,0,0]=4 1288 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,1,0,0,0,0|3,0,0]=4 1289 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,1,0,0,0,0|1,0,1]=3 1290 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,1,0,0,0,0|1,0,1]=3 1291 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,1,0,0,0,0|2,0,1]=4 1292 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,1,0,0,0,0|2,0,1]=4 1293 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [0,1,0,0,0,0|1,0,0]=2 1294 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [0,1,0,0,0,0|1,0,0]=2 1295 B11R1.53 CSc1cccnc1C(F)F 62a_100010079810_200000210301 [0,1,0,0,0,0|2,0,0]=3 1296 B11R1.53 CSc1cccnc1C(F)F 62a_200000210301_100010079810 [0,1,0,0,0,0|2,0,0]=3 1297 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [0,1,0,0,0,0|2,0,0]=3 1298 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [0,1,0,0,0,0|2,0,0]=3 1299 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [0,1,0,0,0,0|1,0,0]=2 1300 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [0,1,0,0,0,0|1,0,0]=2 1301 B11R1.53 CSc1cncnc1C(C)C 62a_100009816988_200000210301 [0,1,0,0,0,0|2,0,0]=3 1302 B11R1.53 CSc1cncnc1C(C)C 62a_200000210301_100009816988 [0,1,0,0,0,0|2,0,0]=3 1303 B11R1.53 CSc1ncccc1B(O)O 62a_100000047247_200000210301 [0,1,0,0,0,0|3,0,0]=4 1304 B11R1.53 CSc1ncccc1B(O)O 62a_200000210301_100000047247 [0,1,0,0,0,0|3,0,0]=4 1305 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,1,0,0,0,0|1,0,1]=3 1306 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,1,0,0,0,0|1,0,1]=3 1307 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,1,0,0,0,0|2,0,1]=4 1308 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,1,0,0,0,0|2,0,1]=4 1309 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [0,1,0,0,0,0|1,0,0]=2 1310 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [0,1,0,0,0,0|1,0,0]=2 1311 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [0,1,0,0,0,0|1,0,0]=2 1312 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [0,1,0,0,0,0|1,0,0]=2 1313 B11R1.53 CSc1ncccc1C(F)F 62a_100010136063_200000210301 [0,1,0,0,0,0|2,0,0]=3 1314 B11R1.53 CSc1ncccc1C(F)F 62a_200000210301_100010136063 [0,1,0,0,0,0|2,0,0]=3 1315 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,1,0,0,0,0|0,0,1]=2 1316 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,1,0,0,0,0|0,0,1]=2 1317 B11R1.53 CSc1nccnc1C(=O)N 62a_100000094861_200000210301 [0,1,0,0,0,0|1,0,1]=3 1318 B11R1.53 CSc1nccnc1C(=O)N 62a_200000210301_100000094861 [0,1,0,0,0,0|1,0,1]=3 1319 B11R1.53 CSc1nccnc1N(C)C 62a_200000210301_100000703087 [0,1,0,0,0,0|1,0,0]=2 1320 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [0,1,0,0,0,0|2,1,0]=4 1321 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [0,1,0,0,0,0|1,0,0]=2 1322 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [0,1,0,0,0,0|1,0,0]=2 1323 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [0,1,0,0,0,0|1,1,1]=4 1324 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_100010169824_200025704644 [0,1,0,0,0,0|3,0,0]=4 1325 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_200025704644_100010169824 [0,1,0,0,0,0|3,0,0]=4 1326 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,1,0,0,0,0|2,0,1]=4 1327 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,1,0,0,0,0|2,0,1]=4 1328 B11R1.53 [13CH3]Sc1cccnc1C(F)F 62a_100010079810_200025704644 [0,1,0,0,0,0|2,0,0]=3 1329 B11R1.53 [13CH3]Sc1cccnc1C(F)F 62a_200025704644_100010079810 [0,1,0,0,0,0|2,0,0]=3 1330 B11R1.53 [13CH3]Sc1ncccc1B(O)O 62a_100000047247_200025704644 [0,1,0,0,0,0|3,0,0]=4 1331 B11R1.53 [13CH3]Sc1ncccc1B(O)O 62a_200025704644_100000047247 [0,1,0,0,0,0|3,0,0]=4 1332 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,1,0,0,0,0|2,0,1]=4 1333 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,1,0,0,0,0|2,0,1]=4 1334 B11R1.53 [13CH3]Sc1ncccc1C(F)F 62a_100010136063_200025704644 [0,1,0,0,0,0|2,0,0]=3 1335 B11R1.53 [13CH3]Sc1ncccc1C(F)F 62a_200025704644_100010136063 [0,1,0,0,0,0|2,0,0]=3 1336 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_100000094861_200025704644 [0,1,0,0,0,0|1,0,1]=3 1337 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_200025704644_100000094861 [0,1,0,0,0,0|1,0,1]=3 1338 B11R1.265 CCc1cccc(c1NC)C 2230a_100000210048_200000210301 [0,1,0,0,0,0|3,0,0]=4 1339 B11R1.265 CCc1cccc(c1NC)C 34a_100000210048_200000210301 [0,1,0,0,0,0|3,0,0]=4 1340 B11R1.265 CCc1cccc(c1NC)C 7a_100000210048_200000210301 [0,1,0,0,0,0|3,0,0]=4 1341 B11R1.265 CCc1cccc(c1N[13CH3])C 2230a_100000210048_200025704644 [0,1,0,0,0,0|3,0,0]=4 1342 B11R1.265 CCc1cccc(c1N[13CH3])C 34a_100000210048_200025704644 [0,1,0,0,0,0|3,0,0]=4 1343 B11R1.265 CCc1cccc(c1N[13CH3])C 7a_100000210048_200025704644 [0,1,0,0,0,0|3,0,0]=4 1344 B11R1.265 CCc1cccc(c1OC)Br 34a_200010001580_200000210301 [0,1,0,0,0,0|2,1,0]=4 1345 B11R1.265 CCc1cccc(c1OC)Br 7a_200010001580_200000210301 [0,1,0,0,0,0|2,1,0]=4 1346 B11R1.265 CCc1cccc(c1OC)C 34a_100000034007_200000210301 [0,1,0,0,0,0|2,1,0]=4 1347 B11R1.265 CCc1cccc(c1OC)C 7a_100000034007_200000210301 [0,1,0,0,0,0|2,1,0]=4 1348 B11R1.265 CCc1cccc(c1O[13CH3])Br 34a_200010001580_200025704644 [0,1,0,0,0,0|2,1,0]=4 1349 B11R1.265 CCc1cccc(c1O[13CH3])Br 7a_200010001580_200025704644 [0,1,0,0,0,0|2,1,0]=4 1350 B11R1.265 CCc1cccc(c1O[13CH3])C 34a_100000034007_200025704644 [0,1,0,0,0,0|2,1,0]=4 1351 B11R1.265 CCc1cccc(c1O[13CH3])C 7a_100000034007_200025704644 [0,1,0,0,0,0|2,1,0]=4 1352 B11R1.265 CCc1cccc(c1SC)C 62a_100000036235_200000210301 [0,1,0,0,0,0|2,0,0]=3 1353 B11R1.265 CCc1cccc(c1SC)C 62a_200000210301_100000036235 [0,1,0,0,0,0|2,0,0]=3 1354 B11R1.265 CCc1cccc(c1S[13CH3])C 62a_100000036235_200025704644 [0,1,0,0,0,0|2,0,0]=3 1355 B11R1.265 CCc1cccc(c1S[13CH3])C 62a_200025704644_100000036235 [0,1,0,0,0,0|2,0,0]=3 1356 B11R1.265 CCc1occc(=O)c1OC 34a_100000033269_200000210301 [0,1,0,0,0,0|2,1,0]=4 1357 B11R1.265 CCc1occc(=O)c1O[13CH3] 34a_100000033269_200025704644 [0,1,0,0,0,0|2,1,0]=4 1358 B11R1.265 CNc1c(cccc1SC)N 62a_100010510394_200000210301 [0,1,0,0,0,0|3,0,0]=4 1359 B11R1.265 CNc1c(cccc1S[13CH3])N 62a_100010510394_200025704644 [0,1,0,0,0,0|3,0,0]=4 1360 B11R1.265 COc1c(cccc1SC)Br 62a_100010146560_200000210301 [0,1,0,0,0,0|3,0,0]=4 1361 B11R1.265 COc1c(cccc1SC)Br 62a_200000210301_100010146560 [0,1,0,0,0,0|3,0,0]=4 1362 B11R1.265 COc1c(cccc1SC)C 62a_100010141385_200000210301 [0,1,0,0,0,0|3,0,0]=4 1363 B11R1.265 COc1c(cccc1SC)C 62a_200000210301_100010141385 [0,1,0,0,0,0|3,0,0]=4 1364 B11R1.265 COc1c(cccc1SC)Cl 62a_100010147678_200000210301 [0,1,0,0,0,0|3,0,0]=4 1365 B11R1.265 COc1c(cccc1SC)Cl 62a_200000210301_100010147678 [0,1,0,0,0,0|3,0,0]=4 1366 B11R1.265 COc1c(cccc1SC)F 62a_100009816759_200000210301 [0,1,0,0,0,0|3,0,0]=4 1367 B11R1.265 COc1c(cccc1SC)F 62a_200000210301_100009816759 [0,1,0,0,0,0|3,0,0]=4 1368 B11R1.265 COc1c(cccc1SC)N 62a_100011935253_200000210301 [0,1,0,0,0,0|3,0,0]=4 1369 B11R1.265 COc1c(cccc1SC)O 62a_200000210301_100010234590 [0,1,0,0,0,0|3,0,0]=4 1370 B11R1.265 COc1c(cccc1S[13CH3])Br 62a_100010146560_200025704644 [0,1,0,0,0,0|3,0,0]=4 1371 B11R1.265 COc1c(cccc1S[13CH3])Br 62a_200025704644_100010146560 [0,1,0,0,0,0|3,0,0]=4 1372 B11R1.265 COc1c(cccc1S[13CH3])C 62a_100010141385_200025704644 [0,1,0,0,0,0|3,0,0]=4 1373 B11R1.265 COc1c(cccc1S[13CH3])C 62a_200025704644_100010141385 [0,1,0,0,0,0|3,0,0]=4 1374 B11R1.265 COc1c(cccc1S[13CH3])Cl 62a_100010147678_200025704644 [0,1,0,0,0,0|3,0,0]=4 1375 B11R1.265 COc1c(cccc1S[13CH3])Cl 62a_200025704644_100010147678 [0,1,0,0,0,0|3,0,0]=4 1376 B11R1.265 COc1c(cccc1S[13CH3])F 62a_100009816759_200025704644 [0,1,0,0,0,0|3,0,0]=4 1377 B11R1.265 COc1c(cccc1S[13CH3])F 62a_200025704644_100009816759 [0,1,0,0,0,0|3,0,0]=4 1378 B11R1.265 COc1c(cccc1S[13CH3])N 62a_100011935253_200025704644 [0,1,0,0,0,0|3,0,0]=4 1379 B11R1.265 COc1c(cccc1S[13CH3])O 62a_200025704644_100010234590 [0,1,0,0,0,0|3,0,0]=4 1380 B11R1.265 COc1c(ccnc1CO)O 271570a_203496583355_100009869429 [0,1,0,0,0,0|2,1,0]=4 1381 B11R1.265 COc1c(ccnc1SC)N 62a_100000104429_200000210301 [0,1,0,0,0,0|2,0,0]=3 1382 B11R1.265 COc1c(ccnc1SC)N 62a_200000210301_100000104429 [0,1,0,0,0,0|2,0,0]=3 1383 B11R1.265 COc1c(ccnc1SC)O 62a_200000210301_100000104430 [0,1,0,0,0,0|2,0,0]=3 1384 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_100000104429_200025704644 [0,1,0,0,0,0|2,0,0]=3 1385 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_200025704644_100000104429 [0,1,0,0,0,0|2,0,0]=3 1386 B11R1.265 COc1c(ccnc1S[13CH3])O 62a_200025704644_100000104430 [0,1,0,0,0,0|2,0,0]=3 1387 B11R1.265 COc1c(ncnc1SC)N 62a_100011998528_200000210301 [0,1,0,0,0,0|3,0,0]=4 1388 B11R1.265 COc1c(ncnc1SC)N 62a_200000210301_100011998528 [0,1,0,0,0,0|3,0,0]=4 1389 B11R1.265 COc1c(ncnc1S[13CH3])N 62a_100011998528_200025704644 [0,1,0,0,0,0|3,0,0]=4 1390 B11R1.265 COc1c(ncnc1S[13CH3])N 62a_200025704644_100011998528 [0,1,0,0,0,0|3,0,0]=4 1391 B11R1.265 COc1cccc(c1SC)Br 62a_100010131421_200000210301 [0,1,0,0,0,0|3,0,0]=4 1392 B11R1.265 COc1cccc(c1SC)Br 62a_200000210301_100010131421 [0,1,0,0,0,0|3,0,0]=4 1393 B11R1.265 COc1cccc(c1SC)C 34a_200000099257_200000210301 [0,1,0,0,0,0|3,0,0]=4 1394 B11R1.265 COc1cccc(c1SC)C 62a_100010191535_200000210301 [0,1,0,0,0,0|3,0,0]=4 1395 B11R1.265 COc1cccc(c1SC)C 62a_200000210301_100010191535 [0,1,0,0,0,0|3,0,0]=4 1396 B11R1.265 COc1cccc(c1SC)C 7a_200000099257_200000210301 [0,1,0,0,0,0|3,0,0]=4 1397 B11R1.265 COc1cccc(c1SC)F 62a_100000703912_200000210301 [0,1,0,0,0,0|3,0,0]=4 1398 B11R1.265 COc1cccc(c1SC)F 62a_200000210301_100000703912 [0,1,0,0,0,0|3,0,0]=4 1399 B11R1.265 COc1cccc(c1SC)N 62a_100000703447_200000210301 [0,1,0,0,0,0|3,0,0]=4 1400 B11R1.265 COc1cccc(c1SC)N 62a_200000210301_100000703447 [0,1,0,0,0,0|3,0,0]=4 1401 B11R1.265 COc1cccc(c1SC)O 62a_200000210301_100010202623 [0,1,0,0,0,0|3,0,0]=4 1402 B11R1.265 COc1cccc(c1S[13CH3])Br 62a_100010131421_200025704644 [0,1,0,0,0,0|3,0,0]=4 1403 B11R1.265 COc1cccc(c1S[13CH3])Br 62a_200025704644_100010131421 [0,1,0,0,0,0|3,0,0]=4 1404 B11R1.265 COc1cccc(c1S[13CH3])C 62a_100010191535_200025704644 [0,1,0,0,0,0|3,0,0]=4 1405 B11R1.265 COc1cccc(c1S[13CH3])C 62a_200025704644_100010191535 [0,1,0,0,0,0|3,0,0]=4 1406 B11R1.265 COc1cccc(c1S[13CH3])F 62a_100000703912_200025704644 [0,1,0,0,0,0|3,0,0]=4 1407 B11R1.265 COc1cccc(c1S[13CH3])F 62a_200025704644_100000703912 [0,1,0,0,0,0|3,0,0]=4 1408 B11R1.265 COc1cccc(c1S[13CH3])N 62a_100000703447_200025704644 [0,1,0,0,0,0|3,0,0]=4 1409 B11R1.265 COc1cccc(c1S[13CH3])N 62a_200025704644_100000703447 [0,1,0,0,0,0|3,0,0]=4 1410 B11R1.265 COc1cccc(c1S[13CH3])O 62a_200025704644_100010202623 [0,1,0,0,0,0|3,0,0]=4 1411 B11R1.265 COc1nccc(c1SC)C 62a_100012353928_200000210301 [0,1,0,0,0,0|2,0,0]=3 1412 B11R1.265 COc1nccc(c1SC)C 62a_200000210301_100012353928 [0,1,0,0,0,0|2,0,0]=3 1413 B11R1.265 COc1nccc(c1SC)N 62a_100010243811_200000210301 [0,1,0,0,0,0|2,0,0]=3 1414 B11R1.265 COc1nccc(c1SC)N 62a_200000210301_100010243811 [0,1,0,0,0,0|2,0,0]=3 1415 B11R1.265 COc1nccc(c1S[13CH3])C 62a_100012353928_200025704644 [0,1,0,0,0,0|2,0,0]=3 1416 B11R1.265 COc1nccc(c1S[13CH3])C 62a_200025704644_100012353928 [0,1,0,0,0,0|2,0,0]=3 1417 B11R1.265 COc1nccc(c1S[13CH3])N 62a_100010243811_200025704644 [0,1,0,0,0,0|2,0,0]=3 1418 B11R1.265 COc1nccc(c1S[13CH3])N 62a_200025704644_100010243811 [0,1,0,0,0,0|2,0,0]=3 1419 B11R1.265 COc1ncnc(c1SC)C 62a_100010110394_200000210301 [0,1,0,0,0,0|3,0,0]=4 1420 B11R1.265 COc1ncnc(c1SC)C 62a_200000210301_100010110394 [0,1,0,0,0,0|3,0,0]=4 1421 B11R1.265 COc1ncnc(c1S[13CH3])C 62a_100010110394_200025704644 [0,1,0,0,0,0|3,0,0]=4 1422 B11R1.265 COc1ncnc(c1S[13CH3])C 62a_200025704644_100010110394 [0,1,0,0,0,0|3,0,0]=4 1423 B11R1.265 CSc1c(cccc1CN)F 62a_100020638964_200000210301 [0,1,0,0,0,0|3,0,0]=4 1424 B11R1.265 CSc1c(cccc1CN)F 62a_200000210301_100020638964 [0,1,0,0,0,0|3,0,0]=4 1425 B11R1.265 CSc1c(cccc1CO)Br 62a_100010146604_200000210301 [0,1,0,0,0,0|3,0,0]=4 1426 B11R1.265 CSc1c(cccc1CO)Br 62a_200000210301_100010146604 [0,1,0,0,0,0|3,0,0]=4 1427 B11R1.265 CSc1c(cccc1CO)C 62a_100011659289_200000210301 [0,1,0,0,0,0|3,0,0]=4 1428 B11R1.265 CSc1c(cccc1CO)C 62a_200000210301_100011659289 [0,1,0,0,0,0|3,0,0]=4 1429 B11R1.265 CSc1c(cccc1CO)F 62a_100012351117_200000210301 [0,1,0,0,0,0|3,0,0]=4 1430 B11R1.265 CSc1c(cccc1CO)F 62a_200000210301_100012351117 [0,1,0,0,0,0|3,0,0]=4 1431 B11R1.265 CSc1c(cccc1O[13CH3])C 34a_200000099257_200025704644 [0,1,0,0,0,0|3,0,0]=4 1432 B11R1.265 CSc1c(cccc1O[13CH3])C 7a_200000099257_200025704644 [0,1,0,0,0,0|3,0,0]=4 1433 B11R1.265 CSc1c(cccc1S[13CH3])F 62a_200010709249_200025704644 [0,1,0,0,0,0|3,0,0]=4 1434 B11R1.265 CSc1c(cccc1S[13CH3])F 62a_200025704644_200010709249 [0,1,0,0,0,0|3,0,0]=4 1435 B11R1.265 CSc1c(ccnc1C#N)C 62a_200000210301_100009878727 [0,1,0,0,0,0|2,0,1]=4 1436 B11R1.265 CSc1cccc(c1CN)F 62a_100012349121_200000210301 [0,1,0,0,0,0|3,0,0]=4 1437 B11R1.265 CSc1cccc(c1CN)F 62a_200000210301_100012349121 [0,1,0,0,0,0|3,0,0]=4 1438 B11R1.265 CSc1cccc(c1CO)F 62a_100012355691_200000210301 [0,1,0,0,0,0|3,0,0]=4 1439 B11R1.265 CSc1cccc(c1CO)F 62a_200000210301_100012355691 [0,1,0,0,0,0|3,0,0]=4 1440 B11R1.265 CSc1cccc(c1CO)N 62a_100000747656_200000210301 [0,1,0,0,0,0|3,0,0]=4 1441 B11R1.265 CSc1cccc(c1CO)N 62a_200000210301_100000747656 [0,1,0,0,0,0|3,0,0]=4 1442 B11R1.265 CSc1cccc(c1SC)F 62a_200000210301_200010709249 [0,1,0,0,0,0|3,0,0]=4 1443 B11R1.265 CSc1cccc(c1SC)F 62a_200010709249_200000210301 [0,1,0,0,0,0|3,0,0]=4 1444 B11R1.265 CSc1nccc(c1C#N)C 62a_200000210301_100000691447 [0,1,0,0,0,0|2,0,1]=4 1445 B11R1.265 CSc1nccc(c1C=O)N 62a_100000050385_200000210301 [0,1,0,0,0,0|2,0,1]=4 1446 B11R1.265 CSc1nccc(c1C=O)N 62a_200000210301_100000050385 [0,1,0,0,0,0|2,0,1]=4 1447 B11R1.265 CSc1nccc(c1C=O)O 62a_200010729673_200000210301 [0,1,0,0,0,0|2,0,1]=4 1448 B11R1.265 Cc1cccc(c1S[13CH3])CO 62a_100011659289_200025704644 [0,1,0,0,0,0|3,0,0]=4 1449 B11R1.265 Cc1cccc(c1S[13CH3])CO 62a_200025704644_100011659289 [0,1,0,0,0,0|3,0,0]=4 1450 B11R1.265 Cc1ccnc(c1C#N)S[13CH3] 62a_200025704644_100000691447 [0,1,0,0,0,0|2,0,1]=4 1451 B11R1.265 Cc1ccnc(c1S[13CH3])C#N 62a_200025704644_100009878727 [0,1,0,0,0,0|2,0,1]=4 1452 B11R1.265 [13CH3]Sc1c(cccc1CN)F 62a_100020638964_200025704644 [0,1,0,0,0,0|3,0,0]=4 1453 B11R1.265 [13CH3]Sc1c(cccc1CN)F 62a_200025704644_100020638964 [0,1,0,0,0,0|3,0,0]=4 1454 B11R1.265 [13CH3]Sc1c(cccc1CO)Br 62a_100010146604_200025704644 [0,1,0,0,0,0|3,0,0]=4 1455 B11R1.265 [13CH3]Sc1c(cccc1CO)Br 62a_200025704644_100010146604 [0,1,0,0,0,0|3,0,0]=4 1456 B11R1.265 [13CH3]Sc1c(cccc1CO)F 62a_100012351117_200025704644 [0,1,0,0,0,0|3,0,0]=4 1457 B11R1.265 [13CH3]Sc1c(cccc1CO)F 62a_200025704644_100012351117 [0,1,0,0,0,0|3,0,0]=4 1458 B11R1.265 [13CH3]Sc1cccc(c1CN)F 62a_100012349121_200025704644 [0,1,0,0,0,0|3,0,0]=4 1459 B11R1.265 [13CH3]Sc1cccc(c1CN)F 62a_200025704644_100012349121 [0,1,0,0,0,0|3,0,0]=4 1460 B11R1.265 [13CH3]Sc1cccc(c1CO)F 62a_100012355691_200025704644 [0,1,0,0,0,0|3,0,0]=4 1461 B11R1.265 [13CH3]Sc1cccc(c1CO)F 62a_200025704644_100012355691 [0,1,0,0,0,0|3,0,0]=4 1462 B11R1.265 [13CH3]Sc1cccc(c1CO)N 62a_100000747656_200025704644 [0,1,0,0,0,0|3,0,0]=4 1463 B11R1.265 [13CH3]Sc1cccc(c1CO)N 62a_200025704644_100000747656 [0,1,0,0,0,0|3,0,0]=4 1464 B11R1.265 [13CH3]Sc1nccc(c1C=O)N 62a_100000050385_200025704644 [0,1,0,0,0,0|2,0,1]=4 1465 B11R1.265 [13CH3]Sc1nccc(c1C=O)N 62a_200025704644_100000050385 [0,1,0,0,0,0|2,0,1]=4 1466 B11R1.265 [13CH3]Sc1nccc(c1C=O)O 62a_200010729673_200025704644 [0,1,0,0,0,0|2,0,1]=4 1467 B9R0.45 CC=CC=CC=NNCC 4a_100000756455_100000691131 [0,0,1,0,0,0|3,0,0]=4 1468 B11R2.1 Oc1csc2c1nccn2 271570a_203496583355_100010174841 [0,0,0,1,0,0|1,0,2]=4 1469 B9R1.14 C=Cc1ccnn1CC 271570a_100011290941_100000728327 [0,0,0,0,1,0|2,0,1]=4 1470 B9R1.14 C=Cc1ccsc1SC 271570a_100011290941_200010341309 [0,0,0,0,1,0|1,0,2]=4 1471 B9R1.14 C=Cc1nccn1CC 271570a_100011290941_100011617267 [0,0,0,0,1,0|2,0,1]=4 1472 B9R1.14 C=Cc1ncnn1CC 271570a_100011290941_100009879425 [0,0,0,0,1,0|2,0,1]=4 1473 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [0,0,0,0,1,0|2,0,1]=4 1474 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [0,0,0,0,1,0|1,0,0]=2 1475 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [0,0,0,0,1,0|1,0,0]=2 1476 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [0,0,0,0,1,0|1,0,0]=2 1477 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [0,0,0,0,1,0|1,0,0]=2 1478 B9R1.14 CCc1cscc1SC 62a_100011068457_200000210301 [0,0,0,0,1,0|2,0,0]=3 1479 B9R1.14 CCc1cscc1SC 62a_200000210301_100011068457 [0,0,0,0,1,0|2,0,0]=3 1480 B9R1.14 CCc1cscc1S[13CH3] 62a_100011068457_200025704644 [0,0,0,0,1,0|2,0,0]=3 1481 B9R1.14 CCc1cscc1S[13CH3] 62a_200025704644_100011068457 [0,0,0,0,1,0|2,0,0]=3 1482 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [0,0,0,0,1,0|1,0,0]=2 1483 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [0,0,0,0,1,0|1,0,0]=2 1484 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [0,0,0,0,1,0|1,0,0]=2 1485 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [0,0,0,0,1,0|1,0,0]=2 1486 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [0,0,0,0,1,0|1,1,0]=3 1487 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [0,0,0,0,1,0|1,1,0]=3 1488 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [0,0,0,0,1,0|1,0,0]=2 1489 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [0,0,0,0,1,0|1,0,0]=2 1490 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [0,0,0,0,1,0|1,0,0]=2 1491 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [0,0,0,0,1,0|1,0,0]=2 1492 B9R1.14 CCn1ncnc1NC 27a_100102657272_100009879425 [0,0,0,0,1,0|2,0,0]=3 1493 B9R1.14 CCn1ncnc1SC 62a_100009879425_200000210301 [0,0,0,0,1,0|1,0,0]=2 1494 B9R1.14 CCn1ncnc1SC 62a_200000210301_100009879425 [0,0,0,0,1,0|1,0,0]=2 1495 B9R1.14 CCn1ncnc1S[13CH3] 62a_100009879425_200025704644 [0,0,0,0,1,0|1,0,0]=2 1496 B9R1.14 CCn1ncnc1S[13CH3] 62a_200025704644_100009879425 [0,0,0,0,1,0|1,0,0]=2 1497 B9R1.14 COc1[nH]ncc1SC 62a_100010349828_200000210301 [0,0,0,0,1,0|2,0,1]=4 1498 B9R1.14 COc1[nH]ncc1S[13CH3] 62a_100010349828_200025704644 [0,0,0,0,1,0|2,0,1]=4 1499 B9R1.14 COc1n[nH]cc1SC 62a_200000210301_100010982843 [0,0,0,0,1,0|2,0,0]=3 1500 B9R1.14 COc1n[nH]cc1S[13CH3] 62a_200025704644_100010982843 [0,0,0,0,1,0|2,0,0]=3 1501 B9R1.14 CSc1[nH]cnc1C=O 62a_100015192532_200000210301 [0,0,0,0,1,0|1,0,2]=4 1502 B9R1.14 CSc1[nH]cnc1C=O 62a_200000210301_100015192532 [0,0,0,0,1,0|1,0,2]=4 1503 B9R1.14 CSc1c[nH]nc1C#N 62a_200000210301_100009813407 [0,0,0,0,1,0|2,0,1]=4 1504 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [0,0,0,0,1,0|2,0,1]=4 1505 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [0,0,0,0,1,0|2,0,1]=4 1506 B9R1.14 CSc1ccsc1C#N 62a_200000210301_100011215142 [0,0,0,0,1,0|2,0,1]=4 1507 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [0,0,0,0,1,0|2,0,1]=4 1508 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [0,0,0,0,1,0|2,0,1]=4 1509 B9R1.14 CSc1ccsc1CO 62a_100000702026_200000210301 [0,0,0,0,1,0|2,0,0]=3 1510 B9R1.14 CSc1ccsc1CO 62a_200000210301_100000702026 [0,0,0,0,1,0|2,0,0]=3 1511 B9R1.14 CSc1ccsc1SC 62a_200000210301_200010341309 [0,0,0,0,1,0|2,0,0]=3 1512 B9R1.14 CSc1ccsc1SC 62a_200010341309_200000210301 [0,0,0,0,1,0|2,0,0]=3 1513 B9R1.14 CSc1cscc1CO 62a_100000724555_200000210301 [0,0,0,0,1,0|3,0,0]=4 1514 B9R1.14 CSc1cscc1CO 62a_200000210301_100000724555 [0,0,0,0,1,0|3,0,0]=4 1515 B9R1.14 CSc1ncsc1CO 62a_100012000948_200000210301 [0,0,0,0,1,0|2,0,0]=3 1516 B9R1.14 CSc1ncsc1CO 62a_200000210301_100012000948 [0,0,0,0,1,0|2,0,0]=3 1517 B9R1.14 CSc1sccc1C#N 62a_200000210301_100009817073 [0,0,0,0,1,0|2,0,1]=4 1518 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [0,0,0,0,1,0|2,0,1]=4 1519 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [0,0,0,0,1,0|2,0,1]=4 1520 B9R1.14 CSc1sccc1CN 62a_100000727803_200000210301 [0,0,0,0,1,0|2,0,0]=3 1521 B9R1.14 CSc1sccc1CN 62a_200000210301_100000727803 [0,0,0,0,1,0|2,0,0]=3 1522 B9R1.14 CSc1sccc1CO 62a_100009816922_200000210301 [0,0,0,0,1,0|2,0,0]=3 1523 B9R1.14 CSc1sccc1CO 62a_200000210301_100009816922 [0,0,0,0,1,0|2,0,0]=3 1524 B9R1.14 CSc1sccc1S[13CH3] 62a_200010341309_200025704644 [0,0,0,0,1,0|2,0,0]=3 1525 B9R1.14 CSc1sccc1S[13CH3] 62a_200025704644_200010341309 [0,0,0,0,1,0|2,0,0]=3 1526 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_100015192532_200025704644 [0,0,0,0,1,0|1,0,2]=4 1527 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_200025704644_100015192532 [0,0,0,0,1,0|1,0,2]=4 1528 B9R1.14 [13CH3]Sc1c[nH]nc1C#N 62a_200025704644_100009813407 [0,0,0,0,1,0|2,0,1]=4 1529 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [0,0,0,0,1,0|2,0,1]=4 1530 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [0,0,0,0,1,0|2,0,1]=4 1531 B9R1.14 [13CH3]Sc1ccsc1C#N 62a_200025704644_100011215142 [0,0,0,0,1,0|2,0,1]=4 1532 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [0,0,0,0,1,0|2,0,1]=4 1533 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [0,0,0,0,1,0|2,0,1]=4 1534 B9R1.14 [13CH3]Sc1ccsc1CO 62a_100000702026_200025704644 [0,0,0,0,1,0|2,0,0]=3 1535 B9R1.14 [13CH3]Sc1ccsc1CO 62a_200025704644_100000702026 [0,0,0,0,1,0|2,0,0]=3 1536 B9R1.14 [13CH3]Sc1cscc1CO 62a_100000724555_200025704644 [0,0,0,0,1,0|3,0,0]=4 1537 B9R1.14 [13CH3]Sc1cscc1CO 62a_200025704644_100000724555 [0,0,0,0,1,0|3,0,0]=4 1538 B9R1.14 [13CH3]Sc1ncsc1CO 62a_100012000948_200025704644 [0,0,0,0,1,0|2,0,0]=3 1539 B9R1.14 [13CH3]Sc1ncsc1CO 62a_200025704644_100012000948 [0,0,0,0,1,0|2,0,0]=3 1540 B9R1.14 [13CH3]Sc1sccc1C#N 62a_200025704644_100009817073 [0,0,0,0,1,0|2,0,1]=4 1541 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [0,0,0,0,1,0|2,0,1]=4 1542 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [0,0,0,0,1,0|2,0,1]=4 1543 B9R1.14 [13CH3]Sc1sccc1CN 62a_100000727803_200025704644 [0,0,0,0,1,0|2,0,0]=3 1544 B9R1.14 [13CH3]Sc1sccc1CN 62a_200025704644_100000727803 [0,0,0,0,1,0|2,0,0]=3 1545 B9R1.14 [13CH3]Sc1sccc1CO 62a_100009816922_200025704644 [0,0,0,0,1,0|2,0,0]=3 1546 B9R1.14 [13CH3]Sc1sccc1CO 62a_200025704644_100009816922 [0,0,0,0,1,0|2,0,0]=3 1547 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [1,0,1,0,0,0|2,0,0]=4 1548 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [2,0,0,0,0,0|0,0,2]=4 1549 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [2,0,0,0,0,0|1,0,0]=3 1550 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|1,1,0]=4 1551 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|1,1,0]=4 1552 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|2,0,0]=4 1553 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|2,0,0]=4 1554 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,0,0]=3 1555 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,0,0]=3 1556 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|1,0,0]=3 1557 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|1,0,0]=3 1558 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [2,0,0,0,0,0|2,0,0]=4 1559 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [2,0,0,0,0,0|2,0,0]=4 1560 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [2,0,0,0,0,0|2,0,0]=4 1561 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [2,0,0,0,0,0|2,0,0]=4 1562 B8R1.2 CSc1ccnnc1 62a_100000732662_200000210301 [2,0,0,0,0,0|2,0,0]=4 1563 B8R1.2 CSc1ccnnc1 62a_200000210301_100000732662 [2,0,0,0,0,0|2,0,0]=4 1564 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [2,0,0,0,0,0|0,0,0]=2 1565 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [2,0,0,0,0,0|0,0,0]=2 1566 B8R1.2 CSc1cncnc1 62a_100011206942_200000210301 [2,0,0,0,0,0|2,0,0]=4 1567 B8R1.2 CSc1cncnc1 62a_200000210301_100011206942 [2,0,0,0,0,0|2,0,0]=4 1568 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [2,0,0,0,0,0|2,0,0]=4 1569 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [2,0,0,0,0,0|2,0,0]=4 1570 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|1,1,0]=4 1571 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|1,1,0]=4 1572 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|2,0,0]=4 1573 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|2,0,0]=4 1574 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,0,0]=3 1575 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,0,0]=3 1576 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|1,0,0]=3 1577 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|1,0,0]=3 1578 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [2,0,0,0,0,0|2,0,0]=4 1579 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [2,0,0,0,0,0|2,0,0]=4 1580 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [2,0,0,0,0,0|2,0,0]=4 1581 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [2,0,0,0,0,0|2,0,0]=4 1582 B8R1.2 [13CH3]Sc1ccnnc1 62a_100000732662_200025704644 [2,0,0,0,0,0|2,0,0]=4 1583 B8R1.2 [13CH3]Sc1ccnnc1 62a_200025704644_100000732662 [2,0,0,0,0,0|2,0,0]=4 1584 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [2,0,0,0,0,0|0,0,0]=2 1585 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [2,0,0,0,0,0|0,0,0]=2 1586 B8R1.2 [13CH3]Sc1cncnc1 62a_100011206942_200025704644 [2,0,0,0,0,0|2,0,0]=4 1587 B8R1.2 [13CH3]Sc1cncnc1 62a_200025704644_100011206942 [2,0,0,0,0,0|2,0,0]=4 1588 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [2,0,0,0,0,0|2,0,0]=4 1589 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [2,0,0,0,0,0|2,0,0]=4 1590 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [2,0,0,0,0,0|1,1,0]=4 1591 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [2,0,0,0,0,0|1,1,0]=4 1592 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [2,0,0,0,0,0|0,1,0]=3 1593 B8R1.5 Nc1nccnc1O 271570a_203496583355_100000747729 [2,0,0,0,0,0|1,1,0]=4 1594 B8R1.5 Oc1nccnc1F 271570a_203496583355_200010125657 [2,0,0,0,0,0|1,1,0]=4 1595 B10R1.2 CNc1nccc(c1C)F 27a_100102657272_100009846374 [1,1,0,0,0,0|2,0,0]=4 1596 B10R1.2 COc1nccc(c1C)Br 34a_100009858498_200000210301 [1,1,0,0,0,0|1,1,0]=4 1597 B10R1.2 COc1nccc(c1C)O 271570a_203496583355_100010068544 [1,1,0,0,0,0|1,1,0]=4 1598 B10R1.2 CSc1cccc(c1C)Br 62a_100012353703_200000210301 [1,1,0,0,0,0|2,0,0]=4 1599 B10R1.2 CSc1cccc(c1C)Br 62a_200000210301_100012353703 [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.2 CSc1cccc(c1C)C 62a_100011214922_200000210301 [1,1,0,0,0,0|2,0,0]=4 1601 B10R1.2 CSc1cccc(c1C)C 62a_200000210301_100011214922 [1,1,0,0,0,0|2,0,0]=4 1602 B10R1.2 CSc1cccc(c1C)Cl 62a_100000726075_200000210301 [1,1,0,0,0,0|2,0,0]=4 1603 B10R1.2 CSc1cccc(c1C)Cl 62a_200000210301_100000726075 [1,1,0,0,0,0|2,0,0]=4 1604 B10R1.2 CSc1cccc(c1C)F 62a_100011216893_200000210301 [1,1,0,0,0,0|2,0,0]=4 1605 B10R1.2 CSc1cccc(c1C)F 62a_200000210301_100011216893 [1,1,0,0,0,0|2,0,0]=4 1606 B10R1.2 CSc1cccc(c1C)N 62a_100000761887_200000210301 [1,1,0,0,0,0|2,0,0]=4 1607 B10R1.2 CSc1cccc(c1C)N 62a_200000210301_100000761887 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.2 CSc1cccc(c1C)O 62a_100012002258_200000210301 [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.2 CSc1cccc(c1C)O 62a_200000210301_100012002258 [1,1,0,0,0,0|2,0,0]=4 1610 B10R1.2 CSc1nccc(c1C)C 62a_100009847204_200000210301 [1,1,0,0,0,0|1,0,0]=3 1611 B10R1.2 CSc1nccc(c1C)C 62a_200000210301_100009847204 [1,1,0,0,0,0|1,0,0]=3 1612 B10R1.2 CSc1nccc(c1C)F 62a_100009846374_200000210301 [1,1,0,0,0,0|1,0,0]=3 1613 B10R1.2 CSc1nccc(c1C)F 62a_200000210301_100009846374 [1,1,0,0,0,0|1,0,0]=3 1614 B10R1.2 CSc1nccc(c1C)N 62a_100000690622_200000210301 [1,1,0,0,0,0|1,0,0]=3 1615 B10R1.2 CSc1nccc(c1C)N 62a_200000210301_100000690622 [1,1,0,0,0,0|1,0,0]=3 1616 B10R1.2 CSc1nccc(c1F)C 62a_100009817629_200000210301 [1,1,0,0,0,0|2,0,0]=4 1617 B10R1.2 CSc1nccc(c1F)C 62a_200000210301_100009817629 [1,1,0,0,0,0|2,0,0]=4 1618 B10R1.2 CSc1nccc(c1F)N 62a_100015205195_200000210301 [1,1,0,0,0,0|2,0,0]=4 1619 B10R1.2 CSc1nccc(c1F)N 62a_200000210301_100015205195 [1,1,0,0,0,0|2,0,0]=4 1620 B10R1.2 CSc1nccc(c1F)O 62a_100009876375_200000210301 [1,1,0,0,0,0|2,0,0]=4 1621 B10R1.2 CSc1nccc(c1F)O 62a_200000210301_100009876375 [1,1,0,0,0,0|2,0,0]=4 1622 B10R1.2 CSc1nccc(c1N)C 62a_100000763560_200000210301 [1,1,0,0,0,0|2,0,0]=4 1623 B10R1.2 CSc1nccc(c1N)C 62a_200000210301_100000763560 [1,1,0,0,0,0|2,0,0]=4 1624 B10R1.2 CSc1nccc(c1N)N 62a_100000085203_200000210301 [1,1,0,0,0,0|2,0,0]=4 1625 B10R1.2 CSc1nccc(c1N)N 62a_200000210301_100000085203 [1,1,0,0,0,0|2,0,0]=4 1626 B10R1.2 CSc1nccc(c1O)C 62a_200000210301_100000696282 [1,1,0,0,0,0|2,0,0]=4 1627 B10R1.2 CSc1nccc(c1O)F 62a_200000210301_100009867227 [1,1,0,0,0,0|2,0,0]=4 1628 B10R1.2 CSc1nccc(c1O)N 62a_200000210301_100009844647 [1,1,0,0,0,0|2,0,0]=4 1629 B10R1.2 CSc1ncnc(c1C)C 62a_100011438038_200000210301 [1,1,0,0,0,0|2,0,0]=4 1630 B10R1.2 CSc1ncnc(c1C)C 62a_200000210301_100011438038 [1,1,0,0,0,0|2,0,0]=4 1631 B10R1.2 CSc1ncnc(c1C)N 62a_100011913465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1632 B10R1.2 CSc1ncnc(c1C)N 62a_200000210301_100011913465 [1,1,0,0,0,0|2,0,0]=4 1633 B10R1.2 CSc1ncnc(c1C)O 62a_200000210301_100011912821 [1,1,0,0,0,0|2,0,0]=4 1634 B10R1.2 CSc1nncc(c1C)N 62a_200000210301_200011012966 [1,1,0,0,0,0|2,0,0]=4 1635 B10R1.2 CSc1nncc(c1C)N 62a_200011012966_200000210301 [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_100012353703_200025704644 [1,1,0,0,0,0|2,0,0]=4 1637 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_200025704644_100012353703 [1,1,0,0,0,0|2,0,0]=4 1638 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_100000726075_200025704644 [1,1,0,0,0,0|2,0,0]=4 1639 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_200025704644_100000726075 [1,1,0,0,0,0|2,0,0]=4 1640 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_100011216893_200025704644 [1,1,0,0,0,0|2,0,0]=4 1641 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_200025704644_100011216893 [1,1,0,0,0,0|2,0,0]=4 1642 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_100000761887_200025704644 [1,1,0,0,0,0|2,0,0]=4 1643 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_200025704644_100000761887 [1,1,0,0,0,0|2,0,0]=4 1644 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_100012002258_200025704644 [1,1,0,0,0,0|2,0,0]=4 1645 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_200025704644_100012002258 [1,1,0,0,0,0|2,0,0]=4 1646 B10R1.2 Cc1c(ccnc1O[13CH3])Br 34a_100009858498_200025704644 [1,1,0,0,0,0|1,1,0]=4 1647 B10R1.2 Cc1c(ccnc1S[13CH3])F 62a_100009846374_200025704644 [1,1,0,0,0,0|1,0,0]=3 1648 B10R1.2 Cc1c(ccnc1S[13CH3])F 62a_200025704644_100009846374 [1,1,0,0,0,0|1,0,0]=3 1649 B10R1.2 Cc1c(ccnc1S[13CH3])N 62a_100000690622_200025704644 [1,1,0,0,0,0|1,0,0]=3 1650 B10R1.2 Cc1c(ccnc1S[13CH3])N 62a_200025704644_100000690622 [1,1,0,0,0,0|1,0,0]=3 1651 B10R1.2 Cc1c(cnnc1S[13CH3])N 62a_200011012966_200025704644 [1,1,0,0,0,0|2,0,0]=4 1652 B10R1.2 Cc1c(cnnc1S[13CH3])N 62a_200025704644_200011012966 [1,1,0,0,0,0|2,0,0]=4 1653 B10R1.2 Cc1c(ncnc1S[13CH3])N 62a_100011913465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1654 B10R1.2 Cc1c(ncnc1S[13CH3])N 62a_200025704644_100011913465 [1,1,0,0,0,0|2,0,0]=4 1655 B10R1.2 Cc1c(ncnc1S[13CH3])O 62a_200025704644_100011912821 [1,1,0,0,0,0|2,0,0]=4 1656 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_100011214922_200025704644 [1,1,0,0,0,0|2,0,0]=4 1657 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_200025704644_100011214922 [1,1,0,0,0,0|2,0,0]=4 1658 B10R1.2 Cc1ccnc(c1C)S[13CH3] 62a_100009847204_200025704644 [1,1,0,0,0,0|1,0,0]=3 1659 B10R1.2 Cc1ccnc(c1C)S[13CH3] 62a_200025704644_100009847204 [1,1,0,0,0,0|1,0,0]=3 1660 B10R1.2 Cc1ccnc(c1F)S[13CH3] 62a_100009817629_200025704644 [1,1,0,0,0,0|2,0,0]=4 1661 B10R1.2 Cc1ccnc(c1F)S[13CH3] 62a_200025704644_100009817629 [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.2 Cc1ccnc(c1N)S[13CH3] 62a_100000763560_200025704644 [1,1,0,0,0,0|2,0,0]=4 1663 B10R1.2 Cc1ccnc(c1N)S[13CH3] 62a_200025704644_100000763560 [1,1,0,0,0,0|2,0,0]=4 1664 B10R1.2 Cc1ccnc(c1O)S[13CH3] 62a_200025704644_100000696282 [1,1,0,0,0,0|2,0,0]=4 1665 B10R1.2 Cc1ncnc(c1C)S[13CH3] 62a_100011438038_200025704644 [1,1,0,0,0,0|2,0,0]=4 1666 B10R1.2 Cc1ncnc(c1C)S[13CH3] 62a_200025704644_100011438038 [1,1,0,0,0,0|2,0,0]=4 1667 B10R1.2 [13CH3]Sc1nccc(c1F)N 62a_100015205195_200025704644 [1,1,0,0,0,0|2,0,0]=4 1668 B10R1.2 [13CH3]Sc1nccc(c1F)N 62a_200025704644_100015205195 [1,1,0,0,0,0|2,0,0]=4 1669 B10R1.2 [13CH3]Sc1nccc(c1F)O 62a_100009876375_200025704644 [1,1,0,0,0,0|2,0,0]=4 1670 B10R1.2 [13CH3]Sc1nccc(c1F)O 62a_200025704644_100009876375 [1,1,0,0,0,0|2,0,0]=4 1671 B10R1.2 [13CH3]Sc1nccc(c1N)N 62a_100000085203_200025704644 [1,1,0,0,0,0|2,0,0]=4 1672 B10R1.2 [13CH3]Sc1nccc(c1N)N 62a_200025704644_100000085203 [1,1,0,0,0,0|2,0,0]=4 1673 B10R1.2 [13CH3]Sc1nccc(c1O)F 62a_200025704644_100009867227 [1,1,0,0,0,0|2,0,0]=4 1674 B10R1.2 [13CH3]Sc1nccc(c1O)N 62a_200025704644_100009844647 [1,1,0,0,0,0|2,0,0]=4 1675 B10R1.4 C=C=Cc1nccnc1C 271570a_100015277604_100011999405 [1,1,0,0,0,0|0,0,2]=4 1676 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,1,0,0,0,0|1,0,1]=4 1677 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|1,0,1]=4 1678 B10R1.4 CC=Cc1nccnc1C 271570a_100016259895_100011999405 [1,1,0,0,0,0|0,0,1]=3 1679 B10R1.4 CC=Cc1nccnc1F 271570a_100016259895_200010125657 [1,1,0,0,0,0|1,0,1]=4 1680 B10R1.4 CC=Cc1nccnc1N 271570a_100016259895_100000747729 [1,1,0,0,0,0|1,0,1]=4 1681 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|2,0,0]=4 1682 B10R1.4 CCNc1ncccc1Br 27a_100015525214_100000696092 [1,1,0,0,0,0|2,0,0]=4 1683 B10R1.4 CCNc1nccnc1C 27a_100015525214_100011999405 [1,1,0,0,0,0|0,0,0]=2 1684 B10R1.4 CCNc1nccnc1F 27a_100015525214_200010125657 [1,1,0,0,0,0|1,0,0]=3 1685 B10R1.4 CCNc1ncncc1C 27a_100015525214_100011998708 [1,1,0,0,0,0|2,0,0]=4 1686 B10R1.4 CCNc1nnccc1C 27a_100015525214_100000089043 [1,1,0,0,0,0|2,0,0]=4 1687 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 1688 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|2,0,0]=4 1689 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 1690 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 1691 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|1,0,0]=3 1692 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|1,0,0]=3 1693 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 1694 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 1695 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 1696 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 1697 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 1698 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 1699 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 1700 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 1701 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,1,0,0,0,0|1,1,0]=4 1702 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|2,0,0]=4 1703 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|2,0,0]=4 1704 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|2,0,0]=4 1705 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|1,1,0]=4 1706 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [1,1,0,0,0,0|0,0,0]=2 1707 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [1,1,0,0,0,0|0,1,0]=3 1708 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|2,0,0]=4 1709 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|2,0,0]=4 1710 B10R1.4 CCSc1cccnc1Br 62a_100000210202_100010202626 [1,1,0,0,0,0|2,0,0]=4 1711 B10R1.4 CCSc1cccnc1Br 62a_100010202626_100000210202 [1,1,0,0,0,0|2,0,0]=4 1712 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,1,0,0,0,0|1,0,0]=3 1713 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,1,0,0,0,0|1,0,0]=3 1714 B10R1.4 CCSc1cccnc1Cl 62a_100000036424_100000210202 [1,1,0,0,0,0|2,0,0]=4 1715 B10R1.4 CCSc1cccnc1Cl 62a_100000210202_100000036424 [1,1,0,0,0,0|2,0,0]=4 1716 B10R1.4 CCSc1cccnc1F 62a_100000210202_100009816115 [1,1,0,0,0,0|2,0,0]=4 1717 B10R1.4 CCSc1cccnc1F 62a_100009816115_100000210202 [1,1,0,0,0,0|2,0,0]=4 1718 B10R1.4 CCSc1cccnc1N 62a_100000045569_100000210202 [1,1,0,0,0,0|2,0,0]=4 1719 B10R1.4 CCSc1cccnc1N 62a_100000210202_100000045569 [1,1,0,0,0,0|2,0,0]=4 1720 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,1,0,0,0,0|1,1,0]=4 1721 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,1,0,0,0,0|1,1,0]=4 1722 B10R1.4 CCSc1cncnc1C 62a_100000210202_100009819671 [1,1,0,0,0,0|2,0,0]=4 1723 B10R1.4 CCSc1cncnc1C 62a_100009819671_100000210202 [1,1,0,0,0,0|2,0,0]=4 1724 B10R1.4 CCSc1ncc[nH]c1=O 62a_100000210202_100000763361 [1,1,0,0,0,0|0,1,1]=4 1725 B10R1.4 CCSc1ncccc1Br 62a_100000210202_100000696092 [1,1,0,0,0,0|2,0,0]=4 1726 B10R1.4 CCSc1ncccc1Br 62a_100000696092_100000210202 [1,1,0,0,0,0|2,0,0]=4 1727 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,1,0,0,0,0|1,0,0]=3 1728 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,1,0,0,0,0|1,0,0]=3 1729 B10R1.4 CCSc1ncccc1Cl 62a_100000210202_100011356963 [1,1,0,0,0,0|2,0,0]=4 1730 B10R1.4 CCSc1ncccc1Cl 62a_100011356963_100000210202 [1,1,0,0,0,0|2,0,0]=4 1731 B10R1.4 CCSc1ncccc1F 62a_100000210202_100000685392 [1,1,0,0,0,0|2,0,0]=4 1732 B10R1.4 CCSc1ncccc1F 62a_100000685392_100000210202 [1,1,0,0,0,0|2,0,0]=4 1733 B10R1.4 CCSc1ncccc1N 62a_100000210202_100000688686 [1,1,0,0,0,0|2,0,0]=4 1734 B10R1.4 CCSc1ncccc1N 62a_100000688686_100000210202 [1,1,0,0,0,0|2,0,0]=4 1735 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,1,0,0,0,0|1,1,0]=4 1736 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,1,0,0,0,0|1,1,0]=4 1737 B10R1.4 CCSc1nccnc1C 62a_100000210202_100011999405 [1,1,0,0,0,0|0,0,0]=2 1738 B10R1.4 CCSc1nccnc1C 62a_100011999405_100000210202 [1,1,0,0,0,0|0,0,0]=2 1739 B10R1.4 CCSc1nccnc1Cl 62a_100000210202_100010886584 [1,1,0,0,0,0|1,0,0]=3 1740 B10R1.4 CCSc1nccnc1Cl 62a_100010886584_100000210202 [1,1,0,0,0,0|1,0,0]=3 1741 B10R1.4 CCSc1nccnc1F 62a_100000210202_200010125657 [1,1,0,0,0,0|1,0,0]=3 1742 B10R1.4 CCSc1nccnc1F 62a_200010125657_100000210202 [1,1,0,0,0,0|1,0,0]=3 1743 B10R1.4 CCSc1nccnc1N 62a_100000210202_100000747729 [1,1,0,0,0,0|1,0,0]=3 1744 B10R1.4 CCSc1nccnc1N 62a_100000747729_100000210202 [1,1,0,0,0,0|1,0,0]=3 1745 B10R1.4 CCSc1ncncc1C 62a_100000210202_100011998708 [1,1,0,0,0,0|2,0,0]=4 1746 B10R1.4 CCSc1ncncc1C 62a_100011998708_100000210202 [1,1,0,0,0,0|2,0,0]=4 1747 B10R1.4 CCSc1nnccc1C 62a_100000210202_100000089043 [1,1,0,0,0,0|2,0,0]=4 1748 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|2,0,0]=4 1749 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 1750 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|2,0,0]=4 1751 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|2,0,0]=4 1752 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|2,0,0]=4 1753 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|2,0,0]=4 1754 B10R1.4 CNCc1cccnc1Br 2230a_100009818023_200000210301 [1,1,0,0,0,0|2,0,0]=4 1755 B10R1.4 CNCc1cccnc1Br 2230a_106832991635_100010140945 [1,1,0,0,0,0|2,0,0]=4 1756 B10R1.4 CNCc1cccnc1Br 34a_100009818023_200000210301 [1,1,0,0,0,0|2,0,0]=4 1757 B10R1.4 CNCc1cccnc1Br 34a_100102657272_100010140945 [1,1,0,0,0,0|2,0,0]=4 1758 B10R1.4 CNCc1cccnc1Br 7a_106832991635_100010140945 [1,1,0,0,0,0|2,0,0]=4 1759 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,1,0,0,0,0|1,0,0]=3 1760 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,1,0,0,0,0|1,0,0]=3 1761 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,1,0,0,0,0|1,0,0]=3 1762 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,1,0,0,0,0|1,0,0]=3 1763 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,1,0,0,0,0|1,0,0]=3 1764 B10R1.4 CNCc1cccnc1Cl 2230a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 1765 B10R1.4 CNCc1cccnc1Cl 2230a_106832991635_100000045678 [1,1,0,0,0,0|2,0,0]=4 1766 B10R1.4 CNCc1cccnc1Cl 34a_100015189234_200000210301 [1,1,0,0,0,0|2,0,0]=4 1767 B10R1.4 CNCc1cccnc1Cl 34a_100102657272_100000045678 [1,1,0,0,0,0|2,0,0]=4 1768 B10R1.4 CNCc1cccnc1Cl 7a_106832991635_100000045678 [1,1,0,0,0,0|2,0,0]=4 1769 B10R1.4 CNCc1cccnc1F 2230a_106832991635_100000099810 [1,1,0,0,0,0|2,0,0]=4 1770 B10R1.4 CNCc1cccnc1F 34a_100000724633_200000210301 [1,1,0,0,0,0|2,0,0]=4 1771 B10R1.4 CNCc1cccnc1F 34a_100102657272_100000099810 [1,1,0,0,0,0|2,0,0]=4 1772 B10R1.4 CNCc1cccnc1F 7a_106832991635_100000099810 [1,1,0,0,0,0|2,0,0]=4 1773 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,1,0,0,0,0|1,1,0]=4 1774 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,1,0,0,0,0|1,1,0]=4 1775 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,1,0,0,0,0|1,1,0]=4 1776 B10R1.4 CNCc1ncccc1Br 207a_100102657272_100011934733 [1,1,0,0,0,0|2,0,0]=4 1777 B10R1.4 CNCc1ncccc1Br 2230a_106832991635_100025702911 [1,1,0,0,0,0|2,0,0]=4 1778 B10R1.4 CNCc1ncccc1Br 270004a_106832991635_100011934733 [1,1,0,0,0,0|2,0,0]=4 1779 B10R1.4 CNCc1ncccc1Br 34a_100102657272_100025702911 [1,1,0,0,0,0|2,0,0]=4 1780 B10R1.4 CNCc1ncccc1Br 7a_106832991635_100025702911 [1,1,0,0,0,0|2,0,0]=4 1781 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|1,0,0]=3 1782 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|1,0,0]=3 1783 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|1,0,0]=3 1784 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|1,0,0]=3 1785 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|1,0,0]=3 1786 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|1,0,0]=3 1787 B10R1.4 CNCc1ncccc1Cl 207a_100102657272_100012001307 [1,1,0,0,0,0|2,0,0]=4 1788 B10R1.4 CNCc1ncccc1Cl 2230a_100015189233_200000210301 [1,1,0,0,0,0|2,0,0]=4 1789 B10R1.4 CNCc1ncccc1Cl 2230a_106832991635_100000099807 [1,1,0,0,0,0|2,0,0]=4 1790 B10R1.4 CNCc1ncccc1Cl 270004a_106832991635_100012001307 [1,1,0,0,0,0|2,0,0]=4 1791 B10R1.4 CNCc1ncccc1Cl 7a_106832991635_100000099807 [1,1,0,0,0,0|2,0,0]=4 1792 B10R1.4 CNCc1ncccc1F 207a_100102657272_100011934734 [1,1,0,0,0,0|2,0,0]=4 1793 B10R1.4 CNCc1ncccc1F 2230a_106832991635_100000104219 [1,1,0,0,0,0|2,0,0]=4 1794 B10R1.4 CNCc1ncccc1F 270004a_106832991635_100011934734 [1,1,0,0,0,0|2,0,0]=4 1795 B10R1.4 CNCc1ncccc1F 34a_100000690088_200000210301 [1,1,0,0,0,0|2,0,0]=4 1796 B10R1.4 CNCc1ncccc1F 34a_100102657272_100000104219 [1,1,0,0,0,0|2,0,0]=4 1797 B10R1.4 CNCc1ncccc1F 7a_106832991635_100000104219 [1,1,0,0,0,0|2,0,0]=4 1798 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,1,0,0,0,0|1,1,0]=4 1799 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,1,0,0,0,0|1,1,0]=4 1800 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [1,1,0,0,0,0|0,0,0]=2 1801 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [1,1,0,0,0,0|0,0,0]=2 1802 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [1,1,0,0,0,0|0,0,0]=2 1803 B10R1.4 CNCc1nccnc1Cl 2230a_100000729963_200000210301 [1,1,0,0,0,0|1,0,0]=3 1804 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1805 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|2,0,0]=4 1806 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|2,0,0]=4 1807 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1808 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [1,1,0,0,0,0|2,0,0]=4 1809 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1810 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,1,0,0,0,0|1,0,0]=3 1811 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,1,0,0,0,0|1,0,0]=3 1812 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,1,0,0,0,0|1,0,0]=3 1813 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 1814 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [1,1,0,0,0,0|2,0,0]=4 1815 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 1816 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [1,1,0,0,0,0|2,0,0]=4 1817 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [1,1,0,0,0,0|2,0,0]=4 1818 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [1,1,0,0,0,0|2,0,0]=4 1819 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1820 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,1,0,0,0,0|2,0,0]=4 1821 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,1,0,0,0,0|1,0,0]=3 1822 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,1,0,0,0,0|1,0,0]=3 1823 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,1,0,0,0,0|2,0,0]=4 1824 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,1,0,0,0,0|2,0,0]=4 1825 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,1,0,0,0,0|2,0,0]=4 1826 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,1,0,0,0,0|2,0,0]=4 1827 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,1,0,0,0,0|1,1,0]=4 1828 B10R1.4 COCc1nccnc1Cl 34a_100000057004_200000210301 [1,1,0,0,0,0|1,0,0]=3 1829 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|2,0,0]=4 1830 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|2,0,0]=4 1831 B10R1.4 CSCc1cccnc1Br 62a_100010140945_200000210301 [1,1,0,0,0,0|2,0,0]=4 1832 B10R1.4 CSCc1cccnc1Br 62a_200000210301_100010140945 [1,1,0,0,0,0|2,0,0]=4 1833 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [1,1,0,0,0,0|1,0,0]=3 1834 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [1,1,0,0,0,0|1,0,0]=3 1835 B10R1.4 CSCc1cccnc1Cl 62a_100000045678_200000210301 [1,1,0,0,0,0|2,0,0]=4 1836 B10R1.4 CSCc1cccnc1Cl 62a_200000210301_100000045678 [1,1,0,0,0,0|2,0,0]=4 1837 B10R1.4 CSCc1cccnc1F 62a_100000099810_200000210301 [1,1,0,0,0,0|2,0,0]=4 1838 B10R1.4 CSCc1cccnc1F 62a_200000210301_100000099810 [1,1,0,0,0,0|2,0,0]=4 1839 B10R1.4 CSCc1ncccc1Br 62a_100025702911_200000210301 [1,1,0,0,0,0|2,0,0]=4 1840 B10R1.4 CSCc1ncccc1Br 62a_200000210301_100025702911 [1,1,0,0,0,0|2,0,0]=4 1841 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,1,0,0,0,0|1,0,0]=3 1842 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,1,0,0,0,0|1,0,0]=3 1843 B10R1.4 CSCc1ncccc1Cl 62a_100000099807_200000210301 [1,1,0,0,0,0|2,0,0]=4 1844 B10R1.4 CSCc1ncccc1Cl 62a_200000210301_100000099807 [1,1,0,0,0,0|2,0,0]=4 1845 B10R1.4 CSCc1ncccc1F 62a_100000104219_200000210301 [1,1,0,0,0,0|2,0,0]=4 1846 B10R1.4 CSCc1ncccc1F 62a_200000210301_100000104219 [1,1,0,0,0,0|2,0,0]=4 1847 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,1,0,0,0,0|1,1,0]=4 1848 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,1,0,0,0,0|1,1,0]=4 1849 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|2,0,0]=4 1850 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1851 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|2,0,0]=4 1852 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|2,0,0]=4 1853 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|2,0,0]=4 1854 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,1,0,0,0,0|2,0,0]=4 1855 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,1,0,0,0,0|2,0,0]=4 1856 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|1,0,0]=3 1857 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,1,0,0,0,0|1,0,0]=3 1858 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,1,0,0,0,0|1,0,0]=3 1859 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,1,0,0,0,0|1,0,0]=3 1860 B10R1.4 Cc1cccnc1SCF 62a_100000751373_100015361967 [1,1,0,0,0,0|1,0,0]=3 1861 B10R1.4 Cc1cccnc1SCF 62a_100015361967_100000751373 [1,1,0,0,0,0|1,0,0]=3 1862 B10R1.4 Cc1ccnnc1SCF 62a_100015361967_100000089043 [1,1,0,0,0,0|2,0,0]=4 1863 B10R1.4 Cc1cncnc1SCF 62a_100011998708_100015361967 [1,1,0,0,0,0|2,0,0]=4 1864 B10R1.4 Cc1cncnc1SCF 62a_100015361967_100011998708 [1,1,0,0,0,0|2,0,0]=4 1865 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,1,0,0,0,0|1,0,0]=3 1866 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,1,0,0,0,0|1,0,0]=3 1867 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [1,1,0,0,0,0|1,0,0]=3 1868 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [1,1,0,0,0,0|1,0,0]=3 1869 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [1,1,0,0,0,0|1,1,0]=4 1870 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [1,1,0,0,0,0|1,1,0]=4 1871 B10R1.4 Cc1ncccc1SCF 62a_100000751574_100015361967 [1,1,0,0,0,0|1,0,0]=3 1872 B10R1.4 Cc1ncccc1SCF 62a_100015361967_100000751574 [1,1,0,0,0,0|1,0,0]=3 1873 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [1,1,0,0,0,0|0,0,0]=2 1874 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [1,1,0,0,0,0|0,0,0]=2 1875 B10R1.4 Cc1nccnc1OCF 34a_100000766352_100015361967 [1,1,0,0,0,0|0,1,0]=3 1876 B10R1.4 Cc1nccnc1SCF 62a_100011999405_100015361967 [1,1,0,0,0,0|0,0,0]=2 1877 B10R1.4 Cc1nccnc1SCF 62a_100015361967_100011999405 [1,1,0,0,0,0|0,0,0]=2 1878 B10R1.4 Cc1ncncc1SCF 62a_100009819671_100015361967 [1,1,0,0,0,0|2,0,0]=4 1879 B10R1.4 Cc1ncncc1SCF 62a_100015361967_100009819671 [1,1,0,0,0,0|2,0,0]=4 1880 B10R1.4 FCSc1cccnc1Br 62a_100010202626_100015361967 [1,1,0,0,0,0|2,0,0]=4 1881 B10R1.4 FCSc1cccnc1Br 62a_100015361967_100010202626 [1,1,0,0,0,0|2,0,0]=4 1882 B10R1.4 FCSc1cccnc1Cl 62a_100000036424_100015361967 [1,1,0,0,0,0|2,0,0]=4 1883 B10R1.4 FCSc1cccnc1Cl 62a_100015361967_100000036424 [1,1,0,0,0,0|2,0,0]=4 1884 B10R1.4 FCSc1cccnc1F 62a_100009816115_100015361967 [1,1,0,0,0,0|2,0,0]=4 1885 B10R1.4 FCSc1cccnc1F 62a_100015361967_100009816115 [1,1,0,0,0,0|2,0,0]=4 1886 B10R1.4 FCSc1ncccc1Br 62a_100000696092_100015361967 [1,1,0,0,0,0|2,0,0]=4 1887 B10R1.4 FCSc1ncccc1Br 62a_100015361967_100000696092 [1,1,0,0,0,0|2,0,0]=4 1888 B10R1.4 FCSc1ncccc1Cl 62a_100011356963_100015361967 [1,1,0,0,0,0|2,0,0]=4 1889 B10R1.4 FCSc1ncccc1Cl 62a_100015361967_100011356963 [1,1,0,0,0,0|2,0,0]=4 1890 B10R1.4 FCSc1ncccc1F 62a_100000685392_100015361967 [1,1,0,0,0,0|2,0,0]=4 1891 B10R1.4 FCSc1ncccc1F 62a_100015361967_100000685392 [1,1,0,0,0,0|2,0,0]=4 1892 B10R1.4 FCSc1nccnc1Cl 62a_100010886584_100015361967 [1,1,0,0,0,0|1,0,0]=3 1893 B10R1.4 FCSc1nccnc1Cl 62a_100015361967_100010886584 [1,1,0,0,0,0|1,0,0]=3 1894 B10R1.4 FCSc1nccnc1F 62a_100015361967_200010125657 [1,1,0,0,0,0|1,0,0]=3 1895 B10R1.4 FCSc1nccnc1F 62a_200010125657_100015361967 [1,1,0,0,0,0|1,0,0]=3 1896 B10R1.4 Nc1cccnc1SCF 62a_100000688686_100015361967 [1,1,0,0,0,0|2,0,0]=4 1897 B10R1.4 Nc1cccnc1SCF 62a_100015361967_100000688686 [1,1,0,0,0,0|2,0,0]=4 1898 B10R1.4 Nc1ncccc1SCF 62a_100000045569_100015361967 [1,1,0,0,0,0|2,0,0]=4 1899 B10R1.4 Nc1ncccc1SCF 62a_100015361967_100000045569 [1,1,0,0,0,0|2,0,0]=4 1900 B10R1.4 Nc1nccnc1SCF 62a_100000747729_100015361967 [1,1,0,0,0,0|1,0,0]=3 1901 B10R1.4 Nc1nccnc1SCF 62a_100015361967_100000747729 [1,1,0,0,0,0|1,0,0]=3 1902 B10R1.4 O=c1[nH]ccnc1SCF 62a_100015361967_100000763361 [1,1,0,0,0,0|1,0,1]=4 1903 B10R1.4 Oc1cccnc1SCF 62a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 1904 B10R1.4 Oc1cccnc1SCF 62a_100015361967_100000034122 [1,1,0,0,0,0|2,0,0]=4 1905 B10R1.4 Oc1ncccc1SCF 62a_100000760158_100015361967 [1,1,0,0,0,0|2,0,0]=4 1906 B10R1.4 Oc1ncccc1SCF 62a_100015361967_100000760158 [1,1,0,0,0,0|2,0,0]=4 1907 B10R1.4 [13CH3]NCc1cccnc1Br 2230a_100009818023_200025704644 [1,1,0,0,0,0|2,0,0]=4 1908 B10R1.4 [13CH3]NCc1cccnc1Br 34a_100009818023_200025704644 [1,1,0,0,0,0|2,0,0]=4 1909 B10R1.4 [13CH3]NCc1cccnc1Cl 2230a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 1910 B10R1.4 [13CH3]NCc1cccnc1Cl 34a_100015189234_200025704644 [1,1,0,0,0,0|2,0,0]=4 1911 B10R1.4 [13CH3]NCc1cccnc1F 34a_100000724633_200025704644 [1,1,0,0,0,0|2,0,0]=4 1912 B10R1.4 [13CH3]NCc1ncccc1Cl 2230a_100015189233_200025704644 [1,1,0,0,0,0|2,0,0]=4 1913 B10R1.4 [13CH3]NCc1ncccc1F 34a_100000690088_200025704644 [1,1,0,0,0,0|2,0,0]=4 1914 B10R1.4 [13CH3]NCc1nccnc1Cl 2230a_100000729963_200025704644 [1,1,0,0,0,0|1,0,0]=3 1915 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1916 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1917 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 1918 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 1919 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [1,1,0,0,0,0|2,0,0]=4 1920 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [1,1,0,0,0,0|2,0,0]=4 1921 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1922 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,1,0,0,0,0|2,0,0]=4 1923 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,1,0,0,0,0|2,0,0]=4 1924 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,1,0,0,0,0|2,0,0]=4 1925 B10R1.4 [13CH3]OCc1nccnc1Cl 34a_100000057004_200025704644 [1,1,0,0,0,0|1,0,0]=3 1926 B10R1.4 [13CH3]SCc1cccnc1Br 62a_100010140945_200025704644 [1,1,0,0,0,0|2,0,0]=4 1927 B10R1.4 [13CH3]SCc1cccnc1Br 62a_200025704644_100010140945 [1,1,0,0,0,0|2,0,0]=4 1928 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_100000045678_200025704644 [1,1,0,0,0,0|2,0,0]=4 1929 B10R1.4 [13CH3]SCc1cccnc1Cl 62a_200025704644_100000045678 [1,1,0,0,0,0|2,0,0]=4 1930 B10R1.4 [13CH3]SCc1cccnc1F 62a_100000099810_200025704644 [1,1,0,0,0,0|2,0,0]=4 1931 B10R1.4 [13CH3]SCc1cccnc1F 62a_200025704644_100000099810 [1,1,0,0,0,0|2,0,0]=4 1932 B10R1.4 [13CH3]SCc1ncccc1Br 62a_100025702911_200025704644 [1,1,0,0,0,0|2,0,0]=4 1933 B10R1.4 [13CH3]SCc1ncccc1Br 62a_200025704644_100025702911 [1,1,0,0,0,0|2,0,0]=4 1934 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_100000099807_200025704644 [1,1,0,0,0,0|2,0,0]=4 1935 B10R1.4 [13CH3]SCc1ncccc1Cl 62a_200025704644_100000099807 [1,1,0,0,0,0|2,0,0]=4 1936 B10R1.4 [13CH3]SCc1ncccc1F 62a_100000104219_200025704644 [1,1,0,0,0,0|2,0,0]=4 1937 B10R1.4 [13CH3]SCc1ncccc1F 62a_200025704644_100000104219 [1,1,0,0,0,0|2,0,0]=4 1938 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,1,0,0,0,0|1,1,0]=4 1939 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,1,0,0,0,0|1,1,0]=4 1940 B10R1.25 C=Cc1ncc(nc1C)C 271570a_100011290941_100000065684 [1,1,0,0,0,0|0,0,2]=4 1941 B10R1.25 C=Cc1ncc(nc1C)N 271570a_100011290941_100009818570 [1,1,0,0,0,0|0,0,2]=4 1942 B10R1.25 CCc1ncc(cc1O)N 271570a_203496583355_100013085292 [1,1,0,0,0,0|1,1,0]=4 1943 B10R1.25 CNc1ncc(cc1C)O 271570a_203496583355_100012357622 [1,1,0,0,0,0|2,0,0]=4 1944 B10R1.25 COc1ccc(nc1C)Br 34a_100012002022_200000210301 [1,1,0,0,0,0|1,1,0]=4 1945 B10R1.25 COc1ccc(nc1C)Br 7a_100012002022_200000210301 [1,1,0,0,0,0|1,1,0]=4 1946 B10R1.25 COc1ccc(nc1C)C 34a_100011218912_200000210301 [1,1,0,0,0,0|1,1,0]=4 1947 B10R1.25 COc1ccc(nc1C)C 7a_100011218912_200000210301 [1,1,0,0,0,0|1,1,0]=4 1948 B10R1.25 COc1ccc(nc1C)Cl 34a_100012184626_200000210301 [1,1,0,0,0,0|1,1,0]=4 1949 B10R1.25 COc1ccc(nc1C)Cl 7a_100012184626_200000210301 [1,1,0,0,0,0|1,1,0]=4 1950 B10R1.25 COc1ccc(nc1C)F 34a_100009881036_200000210301 [1,1,0,0,0,0|1,1,0]=4 1951 B10R1.25 COc1ccc(nc1C)F 7a_100009881036_200000210301 [1,1,0,0,0,0|1,1,0]=4 1952 B10R1.25 COc1ccc(nc1C)I 34a_100010233687_200000210301 [1,1,0,0,0,0|1,1,0]=4 1953 B10R1.25 COc1ccc(nc1C)I 7a_100010233687_200000210301 [1,1,0,0,0,0|1,1,0]=4 1954 B10R1.25 COc1ccc(nc1C)O 271570a_203496583355_100010244750 [1,1,0,0,0,0|1,1,0]=4 1955 B10R1.25 COc1ncc(cc1C)Br 34a_100000685391_200000210301 [1,1,0,0,0,0|1,1,0]=4 1956 B10R1.25 COc1ncc(cc1C)O 271570a_203496583355_100011290809 [1,1,0,0,0,0|1,1,0]=4 1957 B10R1.25 COc1ncc(nc1Cl)Br 34a_100010734560_200000210301 [1,1,0,0,0,0|1,1,0]=4 1958 B10R1.25 CSc1ccc(cc1C)Br 62a_100000701812_200000210301 [1,1,0,0,0,0|2,0,0]=4 1959 B10R1.25 CSc1ccc(cc1C)Br 62a_200000210301_100000701812 [1,1,0,0,0,0|2,0,0]=4 1960 B10R1.25 CSc1ccc(cc1C)C 62a_100011217332_200000210301 [1,1,0,0,0,0|2,0,0]=4 1961 B10R1.25 CSc1ccc(cc1C)C 62a_200000210301_100011217332 [1,1,0,0,0,0|2,0,0]=4 1962 B10R1.25 CSc1ccc(cc1C)Cl 62a_100011219607_200000210301 [1,1,0,0,0,0|2,0,0]=4 1963 B10R1.25 CSc1ccc(cc1C)Cl 62a_200000210301_100011219607 [1,1,0,0,0,0|2,0,0]=4 1964 B10R1.25 CSc1ccc(cc1C)F 62a_100011205405_200000210301 [1,1,0,0,0,0|2,0,0]=4 1965 B10R1.25 CSc1ccc(cc1C)F 62a_200000210301_100011205405 [1,1,0,0,0,0|2,0,0]=4 1966 B10R1.25 CSc1ccc(cc1C)N 62a_100000210723_200000210301 [1,1,0,0,0,0|2,0,0]=4 1967 B10R1.25 CSc1ccc(cc1C)N 62a_200000210301_100000210723 [1,1,0,0,0,0|2,0,0]=4 1968 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,1,0,0,0,0|2,0,0]=4 1969 B10R1.25 CSc1ccc(nc1Br)N 62a_100010734177_200000210301 [1,1,0,0,0,0|2,0,0]=4 1970 B10R1.25 CSc1ccc(nc1Br)N 62a_200000210301_100010734177 [1,1,0,0,0,0|2,0,0]=4 1971 B10R1.25 CSc1ccc(nc1C)C 62a_100009813853_200000210301 [1,1,0,0,0,0|1,0,0]=3 1972 B10R1.25 CSc1ccc(nc1C)C 62a_200000210301_100009813853 [1,1,0,0,0,0|1,0,0]=3 1973 B10R1.25 CSc1ccc(nc1C)Cl 62a_100000062408_200000210301 [1,1,0,0,0,0|1,0,0]=3 1974 B10R1.25 CSc1ccc(nc1C)Cl 62a_200000210301_100000062408 [1,1,0,0,0,0|1,0,0]=3 1975 B10R1.25 CSc1ccc(nc1C)F 62a_100000688911_200000210301 [1,1,0,0,0,0|1,0,0]=3 1976 B10R1.25 CSc1ccc(nc1C)F 62a_200000210301_100000688911 [1,1,0,0,0,0|1,0,0]=3 1977 B10R1.25 CSc1ccc(nc1C)N 62a_100000187202_200000210301 [1,1,0,0,0,0|1,0,0]=3 1978 B10R1.25 CSc1ccc(nc1C)N 62a_200000210301_100000187202 [1,1,0,0,0,0|1,0,0]=3 1979 B10R1.25 CSc1ccc(nc1C)O 62a_100000691680_200000210301 [1,1,0,0,0,0|1,0,0]=3 1980 B10R1.25 CSc1ccc(nc1C)O 62a_200000210301_100000691680 [1,1,0,0,0,0|1,0,0]=3 1981 B10R1.25 CSc1ccc(nc1Cl)Br 62a_100010246183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1982 B10R1.25 CSc1ccc(nc1Cl)Br 62a_200000210301_100010246183 [1,1,0,0,0,0|2,0,0]=4 1983 B10R1.25 CSc1ccc(nc1Cl)Cl 62a_200000210301_100000043682 [1,1,0,0,0,0|2,0,0]=4 1984 B10R1.25 CSc1ccc(nc1Cl)N 62a_100010270343_200000210301 [1,1,0,0,0,0|2,0,0]=4 1985 B10R1.25 CSc1ccc(nc1Cl)N 62a_200000210301_100010270343 [1,1,0,0,0,0|2,0,0]=4 1986 B10R1.25 CSc1ccc(nc1F)C 62a_100010006597_200000210301 [1,1,0,0,0,0|2,0,0]=4 1987 B10R1.25 CSc1ccc(nc1F)C 62a_200000210301_100010006597 [1,1,0,0,0,0|2,0,0]=4 1988 B10R1.25 CSc1ccc(nc1F)Cl 62a_100010168078_200000210301 [1,1,0,0,0,0|2,0,0]=4 1989 B10R1.25 CSc1ccc(nc1F)Cl 62a_200000210301_100010168078 [1,1,0,0,0,0|2,0,0]=4 1990 B10R1.25 CSc1ccc(nc1F)F 62a_100000070099_200000210301 [1,1,0,0,0,0|2,0,0]=4 1991 B10R1.25 CSc1ccc(nc1F)F 62a_200000210301_100000070099 [1,1,0,0,0,0|2,0,0]=4 1992 B10R1.25 CSc1ccc(nc1F)N 62a_100009882772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1993 B10R1.25 CSc1ccc(nc1F)N 62a_200000210301_100009882772 [1,1,0,0,0,0|2,0,0]=4 1994 B10R1.25 CSc1ccc(nc1F)O 62a_100009879308_200000210301 [1,1,0,0,0,0|2,0,0]=4 1995 B10R1.25 CSc1ccc(nc1F)O 62a_200000210301_100009879308 [1,1,0,0,0,0|2,0,0]=4 1996 B10R1.25 CSc1ccc(nc1N)C 62a_100009816662_200000210301 [1,1,0,0,0,0|2,0,0]=4 1997 B10R1.25 CSc1ccc(nc1N)C 62a_200000210301_100009816662 [1,1,0,0,0,0|2,0,0]=4 1998 B10R1.25 CSc1ccc(nc1N)Cl 62a_100010171640_200000210301 [1,1,0,0,0,0|2,0,0]=4 1999 B10R1.25 CSc1ccc(nc1N)Cl 62a_200000210301_100010171640 [1,1,0,0,0,0|2,0,0]=4 2000 B10R1.25 CSc1ccc(nc1N)F 62a_100009854977_200000210301 [1,1,0,0,0,0|2,0,0]=4 2001 B10R1.25 CSc1ccc(nc1N)F 62a_200000210301_100009854977 [1,1,0,0,0,0|2,0,0]=4 2002 B10R1.25 CSc1ccc(nc1N)N 62a_100011356871_200000210301 [1,1,0,0,0,0|2,0,0]=4 2003 B10R1.25 CSc1ccc(nc1O)C 62a_100009817604_200000210301 [1,1,0,0,0,0|2,0,0]=4 2004 B10R1.25 CSc1ccc(nc1O)C 62a_200000210301_100009817604 [1,1,0,0,0,0|2,0,0]=4 2005 B10R1.25 CSc1cnc(nc1C)N 62a_100000725598_200000210301 [1,1,0,0,0,0|2,0,0]=4 2006 B10R1.25 CSc1cnc(nc1C)N 62a_200000210301_100000725598 [1,1,0,0,0,0|2,0,0]=4 2007 B10R1.25 CSc1n[nH]c(=O)cc1C 62a_200000210301_100000081757 [1,1,0,0,0,0|2,0,0]=4 2008 B10R1.25 CSc1ncc(cc1Br)Cl 62a_100012154958_200000210301 [1,1,0,0,0,0|2,0,0]=4 2009 B10R1.25 CSc1ncc(cc1Br)Cl 62a_200000210301_100012154958 [1,1,0,0,0,0|2,0,0]=4 2010 B10R1.25 CSc1ncc(cc1C)Br 62a_100012353652_200000210301 [1,1,0,0,0,0|1,0,0]=3 2011 B10R1.25 CSc1ncc(cc1C)Br 62a_200000210301_100012353652 [1,1,0,0,0,0|1,0,0]=3 2012 B10R1.25 CSc1ncc(cc1C)C 62a_100009864548_200000210301 [1,1,0,0,0,0|1,0,0]=3 2013 B10R1.25 CSc1ncc(cc1C)C 62a_200000210301_100009864548 [1,1,0,0,0,0|1,0,0]=3 2014 B10R1.25 CSc1ncc(cc1C)F 62a_100009817009_200000210301 [1,1,0,0,0,0|1,0,0]=3 2015 B10R1.25 CSc1ncc(cc1C)F 62a_200000210301_100009817009 [1,1,0,0,0,0|1,0,0]=3 2016 B10R1.25 CSc1ncc(cc1C)N 62a_100000761747_200000210301 [1,1,0,0,0,0|1,0,0]=3 2017 B10R1.25 CSc1ncc(cc1C)N 62a_200000210301_100000761747 [1,1,0,0,0,0|1,0,0]=3 2018 B10R1.25 CSc1ncc(cc1C)O 62a_100012000486_200000210301 [1,1,0,0,0,0|1,0,0]=3 2019 B10R1.25 CSc1ncc(cc1C)O 62a_200000210301_100012000486 [1,1,0,0,0,0|1,0,0]=3 2020 B10R1.25 CSc1ncc(cc1F)Br 62a_100012348576_200000210301 [1,1,0,0,0,0|2,0,0]=4 2021 B10R1.25 CSc1ncc(cc1F)Br 62a_200000210301_100012348576 [1,1,0,0,0,0|2,0,0]=4 2022 B10R1.25 CSc1ncc(cc1F)C 62a_100009819633_200000210301 [1,1,0,0,0,0|2,0,0]=4 2023 B10R1.25 CSc1ncc(cc1F)C 62a_200000210301_100009819633 [1,1,0,0,0,0|2,0,0]=4 2024 B10R1.25 CSc1ncc(cc1F)Cl 62a_100012348686_200000210301 [1,1,0,0,0,0|2,0,0]=4 2025 B10R1.25 CSc1ncc(cc1F)Cl 62a_200000210301_100012348686 [1,1,0,0,0,0|2,0,0]=4 2026 B10R1.25 CSc1ncc(cc1F)F 62a_100011219543_200000210301 [1,1,0,0,0,0|2,0,0]=4 2027 B10R1.25 CSc1ncc(cc1F)F 62a_200000210301_100011219543 [1,1,0,0,0,0|2,0,0]=4 2028 B10R1.25 CSc1ncc(cc1F)N 62a_100010280766_200000210301 [1,1,0,0,0,0|2,0,0]=4 2029 B10R1.25 CSc1ncc(cc1F)N 62a_200000210301_100010280766 [1,1,0,0,0,0|2,0,0]=4 2030 B10R1.25 CSc1ncc(cc1F)O 62a_200000210301_100000063512 [1,1,0,0,0,0|2,0,0]=4 2031 B10R1.25 CSc1ncc(cc1N)Br 62a_100010090555_200000210301 [1,1,0,0,0,0|2,0,0]=4 2032 B10R1.25 CSc1ncc(cc1N)Br 62a_200000210301_100010090555 [1,1,0,0,0,0|2,0,0]=4 2033 B10R1.25 CSc1ncc(cc1N)C 62a_100000733613_200000210301 [1,1,0,0,0,0|2,0,0]=4 2034 B10R1.25 CSc1ncc(cc1N)C 62a_200000210301_100000733613 [1,1,0,0,0,0|2,0,0]=4 2035 B10R1.25 CSc1ncc(cc1N)F 62a_100009817643_200000210301 [1,1,0,0,0,0|2,0,0]=4 2036 B10R1.25 CSc1ncc(cc1N)F 62a_200000210301_100009817643 [1,1,0,0,0,0|2,0,0]=4 2037 B10R1.25 CSc1ncc(cc1N)N 62a_200000093520_200000210301 [1,1,0,0,0,0|2,0,0]=4 2038 B10R1.25 CSc1ncc(cc1N)N 62a_200000210301_200000093520 [1,1,0,0,0,0|2,0,0]=4 2039 B10R1.25 CSc1ncc(cc1O)Br 62a_100010210634_200000210301 [1,1,0,0,0,0|2,0,0]=4 2040 B10R1.25 CSc1ncc(cc1O)Br 62a_200000210301_100010210634 [1,1,0,0,0,0|2,0,0]=4 2041 B10R1.25 CSc1ncc(cc1O)C 62a_200000210301_100012000487 [1,1,0,0,0,0|2,0,0]=4 2042 B10R1.25 CSc1ncc(cc1O)Cl 62a_100010233512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2043 B10R1.25 CSc1ncc(cc1O)Cl 62a_200000210301_100010233512 [1,1,0,0,0,0|2,0,0]=4 2044 B10R1.25 CSc1ncc(cc1O)F 62a_100009820119_200000210301 [1,1,0,0,0,0|2,0,0]=4 2045 B10R1.25 CSc1ncc(cc1O)F 62a_200000210301_100000079967 [1,1,0,0,0,0|2,0,0]=4 2046 B10R1.25 CSc1ncc(nc1Br)Br 62a_100010235571_200000210301 [1,1,0,0,0,0|1,0,0]=3 2047 B10R1.25 CSc1ncc(nc1Br)Br 62a_200000210301_100010235571 [1,1,0,0,0,0|1,0,0]=3 2048 B10R1.25 CSc1ncc(nc1C)C 62a_100000065684_200000210301 [1,1,0,0,0,0|0,0,0]=2 2049 B10R1.25 CSc1ncc(nc1C)C 62a_200000210301_100000065684 [1,1,0,0,0,0|0,0,0]=2 2050 B10R1.25 CSc1ncc(nc1C)N 62a_100009818570_200000210301 [1,1,0,0,0,0|0,0,0]=2 2051 B10R1.25 CSc1ncc(nc1C)N 62a_200000210301_100009818570 [1,1,0,0,0,0|0,0,0]=2 2052 B10R1.25 CSc1ncc(nc1Cl)Cl 62a_200000210301_100010173851 [1,1,0,0,0,0|1,0,0]=3 2053 B10R1.25 CSc1ncc(nc1Cl)N 62a_100010116657_200000210301 [1,1,0,0,0,0|1,0,0]=3 2054 B10R1.25 CSc1ncc(nc1Cl)N 62a_200000210301_100010116657 [1,1,0,0,0,0|1,0,0]=3 2055 B10R1.25 CSc1nnc(cc1C)N 62a_100000123434_200000210301 [1,1,0,0,0,0|2,0,0]=4 2056 B10R1.25 CSc1nnc(cc1C)N 62a_200000210301_100000123434 [1,1,0,0,0,0|2,0,0]=4 2057 B10R1.25 Cc1cc(=O)[nH]nc1S[13CH3] 62a_200025704644_100000081757 [1,1,0,0,0,0|2,0,0]=4 2058 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_100000701812_200025704644 [1,1,0,0,0,0|2,0,0]=4 2059 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_200025704644_100000701812 [1,1,0,0,0,0|2,0,0]=4 2060 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_100011219607_200025704644 [1,1,0,0,0,0|2,0,0]=4 2061 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_200025704644_100011219607 [1,1,0,0,0,0|2,0,0]=4 2062 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_100011205405_200025704644 [1,1,0,0,0,0|2,0,0]=4 2063 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_200025704644_100011205405 [1,1,0,0,0,0|2,0,0]=4 2064 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_100000210723_200025704644 [1,1,0,0,0,0|2,0,0]=4 2065 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_200025704644_100000210723 [1,1,0,0,0,0|2,0,0]=4 2066 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,1,0,0,0,0|2,0,0]=4 2067 B10R1.25 Cc1cc(cnc1CO)O 271570a_203496583355_100010116297 [1,1,0,0,0,0|2,0,0]=4 2068 B10R1.25 Cc1cc(cnc1O[13CH3])Br 34a_100000685391_200025704644 [1,1,0,0,0,0|1,1,0]=4 2069 B10R1.25 Cc1cc(cnc1S[13CH3])Br 62a_100012353652_200025704644 [1,1,0,0,0,0|1,0,0]=3 2070 B10R1.25 Cc1cc(cnc1S[13CH3])Br 62a_200025704644_100012353652 [1,1,0,0,0,0|1,0,0]=3 2071 B10R1.25 Cc1cc(cnc1S[13CH3])F 62a_100009817009_200025704644 [1,1,0,0,0,0|1,0,0]=3 2072 B10R1.25 Cc1cc(cnc1S[13CH3])F 62a_200025704644_100009817009 [1,1,0,0,0,0|1,0,0]=3 2073 B10R1.25 Cc1cc(cnc1S[13CH3])N 62a_100000761747_200025704644 [1,1,0,0,0,0|1,0,0]=3 2074 B10R1.25 Cc1cc(cnc1S[13CH3])N 62a_200025704644_100000761747 [1,1,0,0,0,0|1,0,0]=3 2075 B10R1.25 Cc1cc(cnc1S[13CH3])O 62a_100012000486_200025704644 [1,1,0,0,0,0|1,0,0]=3 2076 B10R1.25 Cc1cc(cnc1S[13CH3])O 62a_200025704644_100012000486 [1,1,0,0,0,0|1,0,0]=3 2077 B10R1.25 Cc1cc(nnc1S[13CH3])N 62a_100000123434_200025704644 [1,1,0,0,0,0|2,0,0]=4 2078 B10R1.25 Cc1cc(nnc1S[13CH3])N 62a_200025704644_100000123434 [1,1,0,0,0,0|2,0,0]=4 2079 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_100011217332_200025704644 [1,1,0,0,0,0|2,0,0]=4 2080 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011217332 [1,1,0,0,0,0|2,0,0]=4 2081 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 34a_100011218912_200025704644 [1,1,0,0,0,0|1,1,0]=4 2082 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 7a_100011218912_200025704644 [1,1,0,0,0,0|1,1,0]=4 2083 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_100009813853_200025704644 [1,1,0,0,0,0|1,0,0]=3 2084 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100009813853 [1,1,0,0,0,0|1,0,0]=3 2085 B10R1.25 Cc1ccc(c(n1)F)S[13CH3] 62a_100010006597_200025704644 [1,1,0,0,0,0|2,0,0]=4 2086 B10R1.25 Cc1ccc(c(n1)F)S[13CH3] 62a_200025704644_100010006597 [1,1,0,0,0,0|2,0,0]=4 2087 B10R1.25 Cc1ccc(c(n1)N)S[13CH3] 62a_100009816662_200025704644 [1,1,0,0,0,0|2,0,0]=4 2088 B10R1.25 Cc1ccc(c(n1)N)S[13CH3] 62a_200025704644_100009816662 [1,1,0,0,0,0|2,0,0]=4 2089 B10R1.25 Cc1ccc(c(n1)O)S[13CH3] 62a_100009817604_200025704644 [1,1,0,0,0,0|2,0,0]=4 2090 B10R1.25 Cc1ccc(c(n1)O)S[13CH3] 62a_200025704644_100009817604 [1,1,0,0,0,0|2,0,0]=4 2091 B10R1.25 Cc1cnc(c(c1)C)S[13CH3] 62a_100009864548_200025704644 [1,1,0,0,0,0|1,0,0]=3 2092 B10R1.25 Cc1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864548 [1,1,0,0,0,0|1,0,0]=3 2093 B10R1.25 Cc1cnc(c(c1)F)S[13CH3] 62a_100009819633_200025704644 [1,1,0,0,0,0|2,0,0]=4 2094 B10R1.25 Cc1cnc(c(c1)F)S[13CH3] 62a_200025704644_100009819633 [1,1,0,0,0,0|2,0,0]=4 2095 B10R1.25 Cc1cnc(c(c1)N)S[13CH3] 62a_100000733613_200025704644 [1,1,0,0,0,0|2,0,0]=4 2096 B10R1.25 Cc1cnc(c(c1)N)S[13CH3] 62a_200025704644_100000733613 [1,1,0,0,0,0|2,0,0]=4 2097 B10R1.25 Cc1cnc(c(c1)O)S[13CH3] 62a_200025704644_100012000487 [1,1,0,0,0,0|2,0,0]=4 2098 B10R1.25 Cc1cnc(c(n1)C)S[13CH3] 62a_100000065684_200025704644 [1,1,0,0,0,0|0,0,0]=2 2099 B10R1.25 Cc1cnc(c(n1)C)S[13CH3] 62a_200025704644_100000065684 [1,1,0,0,0,0|0,0,0]=2 2100 B10R1.25 Cc1nc(ccc1O[13CH3])Br 34a_100012002022_200025704644 [1,1,0,0,0,0|1,1,0]=4 2101 B10R1.25 Cc1nc(ccc1O[13CH3])Br 7a_100012002022_200025704644 [1,1,0,0,0,0|1,1,0]=4 2102 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 34a_100012184626_200025704644 [1,1,0,0,0,0|1,1,0]=4 2103 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 7a_100012184626_200025704644 [1,1,0,0,0,0|1,1,0]=4 2104 B10R1.25 Cc1nc(ccc1O[13CH3])F 34a_100009881036_200025704644 [1,1,0,0,0,0|1,1,0]=4 2105 B10R1.25 Cc1nc(ccc1O[13CH3])F 7a_100009881036_200025704644 [1,1,0,0,0,0|1,1,0]=4 2106 B10R1.25 Cc1nc(ccc1O[13CH3])I 34a_100010233687_200025704644 [1,1,0,0,0,0|1,1,0]=4 2107 B10R1.25 Cc1nc(ccc1O[13CH3])I 7a_100010233687_200025704644 [1,1,0,0,0,0|1,1,0]=4 2108 B10R1.25 Cc1nc(ccc1S[13CH3])Cl 62a_100000062408_200025704644 [1,1,0,0,0,0|1,0,0]=3 2109 B10R1.25 Cc1nc(ccc1S[13CH3])Cl 62a_200025704644_100000062408 [1,1,0,0,0,0|1,0,0]=3 2110 B10R1.25 Cc1nc(ccc1S[13CH3])F 62a_100000688911_200025704644 [1,1,0,0,0,0|1,0,0]=3 2111 B10R1.25 Cc1nc(ccc1S[13CH3])F 62a_200025704644_100000688911 [1,1,0,0,0,0|1,0,0]=3 2112 B10R1.25 Cc1nc(ccc1S[13CH3])N 62a_100000187202_200025704644 [1,1,0,0,0,0|1,0,0]=3 2113 B10R1.25 Cc1nc(ccc1S[13CH3])N 62a_200025704644_100000187202 [1,1,0,0,0,0|1,0,0]=3 2114 B10R1.25 Cc1nc(ccc1S[13CH3])O 62a_100000691680_200025704644 [1,1,0,0,0,0|1,0,0]=3 2115 B10R1.25 Cc1nc(ccc1S[13CH3])O 62a_200025704644_100000691680 [1,1,0,0,0,0|1,0,0]=3 2116 B10R1.25 Cc1nc(cnc1S[13CH3])N 62a_100009818570_200025704644 [1,1,0,0,0,0|0,0,0]=2 2117 B10R1.25 Cc1nc(cnc1S[13CH3])N 62a_200025704644_100009818570 [1,1,0,0,0,0|0,0,0]=2 2118 B10R1.25 Cc1nc(ncc1S[13CH3])N 62a_100000725598_200025704644 [1,1,0,0,0,0|2,0,0]=4 2119 B10R1.25 Cc1nc(ncc1S[13CH3])N 62a_200025704644_100000725598 [1,1,0,0,0,0|2,0,0]=4 2120 B10R1.25 [13CH3]Oc1ncc(nc1Cl)Br 34a_100010734560_200025704644 [1,1,0,0,0,0|1,1,0]=4 2121 B10R1.25 [13CH3]Sc1ccc(nc1Br)N 62a_100010734177_200025704644 [1,1,0,0,0,0|2,0,0]=4 2122 B10R1.25 [13CH3]Sc1ccc(nc1Br)N 62a_200025704644_100010734177 [1,1,0,0,0,0|2,0,0]=4 2123 B10R1.25 [13CH3]Sc1ccc(nc1Cl)Br 62a_100010246183_200025704644 [1,1,0,0,0,0|2,0,0]=4 2124 B10R1.25 [13CH3]Sc1ccc(nc1Cl)Br 62a_200025704644_100010246183 [1,1,0,0,0,0|2,0,0]=4 2125 B10R1.25 [13CH3]Sc1ccc(nc1Cl)Cl 62a_200025704644_100000043682 [1,1,0,0,0,0|2,0,0]=4 2126 B10R1.25 [13CH3]Sc1ccc(nc1Cl)N 62a_100010270343_200025704644 [1,1,0,0,0,0|2,0,0]=4 2127 B10R1.25 [13CH3]Sc1ccc(nc1Cl)N 62a_200025704644_100010270343 [1,1,0,0,0,0|2,0,0]=4 2128 B10R1.25 [13CH3]Sc1ccc(nc1F)Cl 62a_100010168078_200025704644 [1,1,0,0,0,0|2,0,0]=4 2129 B10R1.25 [13CH3]Sc1ccc(nc1F)Cl 62a_200025704644_100010168078 [1,1,0,0,0,0|2,0,0]=4 2130 B10R1.25 [13CH3]Sc1ccc(nc1F)F 62a_100000070099_200025704644 [1,1,0,0,0,0|2,0,0]=4 2131 B10R1.25 [13CH3]Sc1ccc(nc1F)F 62a_200025704644_100000070099 [1,1,0,0,0,0|2,0,0]=4 2132 B10R1.25 [13CH3]Sc1ccc(nc1F)N 62a_100009882772_200025704644 [1,1,0,0,0,0|2,0,0]=4 2133 B10R1.25 [13CH3]Sc1ccc(nc1F)N 62a_200025704644_100009882772 [1,1,0,0,0,0|2,0,0]=4 2134 B10R1.25 [13CH3]Sc1ccc(nc1F)O 62a_100009879308_200025704644 [1,1,0,0,0,0|2,0,0]=4 2135 B10R1.25 [13CH3]Sc1ccc(nc1F)O 62a_200025704644_100009879308 [1,1,0,0,0,0|2,0,0]=4 2136 B10R1.25 [13CH3]Sc1ccc(nc1N)Cl 62a_100010171640_200025704644 [1,1,0,0,0,0|2,0,0]=4 2137 B10R1.25 [13CH3]Sc1ccc(nc1N)Cl 62a_200025704644_100010171640 [1,1,0,0,0,0|2,0,0]=4 2138 B10R1.25 [13CH3]Sc1ccc(nc1N)F 62a_100009854977_200025704644 [1,1,0,0,0,0|2,0,0]=4 2139 B10R1.25 [13CH3]Sc1ccc(nc1N)F 62a_200025704644_100009854977 [1,1,0,0,0,0|2,0,0]=4 2140 B10R1.25 [13CH3]Sc1ccc(nc1N)N 62a_100011356871_200025704644 [1,1,0,0,0,0|2,0,0]=4 2141 B10R1.25 [13CH3]Sc1ncc(cc1Br)Cl 62a_100012154958_200025704644 [1,1,0,0,0,0|2,0,0]=4 2142 B10R1.25 [13CH3]Sc1ncc(cc1Br)Cl 62a_200025704644_100012154958 [1,1,0,0,0,0|2,0,0]=4 2143 B10R1.25 [13CH3]Sc1ncc(cc1F)Br 62a_100012348576_200025704644 [1,1,0,0,0,0|2,0,0]=4 2144 B10R1.25 [13CH3]Sc1ncc(cc1F)Br 62a_200025704644_100012348576 [1,1,0,0,0,0|2,0,0]=4 2145 B10R1.25 [13CH3]Sc1ncc(cc1F)Cl 62a_100012348686_200025704644 [1,1,0,0,0,0|2,0,0]=4 2146 B10R1.25 [13CH3]Sc1ncc(cc1F)Cl 62a_200025704644_100012348686 [1,1,0,0,0,0|2,0,0]=4 2147 B10R1.25 [13CH3]Sc1ncc(cc1F)F 62a_100011219543_200025704644 [1,1,0,0,0,0|2,0,0]=4 2148 B10R1.25 [13CH3]Sc1ncc(cc1F)F 62a_200025704644_100011219543 [1,1,0,0,0,0|2,0,0]=4 2149 B10R1.25 [13CH3]Sc1ncc(cc1F)N 62a_100010280766_200025704644 [1,1,0,0,0,0|2,0,0]=4 2150 B10R1.25 [13CH3]Sc1ncc(cc1F)N 62a_200025704644_100010280766 [1,1,0,0,0,0|2,0,0]=4 2151 B10R1.25 [13CH3]Sc1ncc(cc1F)O 62a_200025704644_100000063512 [1,1,0,0,0,0|2,0,0]=4 2152 B10R1.25 [13CH3]Sc1ncc(cc1N)Br 62a_100010090555_200025704644 [1,1,0,0,0,0|2,0,0]=4 2153 B10R1.25 [13CH3]Sc1ncc(cc1N)Br 62a_200025704644_100010090555 [1,1,0,0,0,0|2,0,0]=4 2154 B10R1.25 [13CH3]Sc1ncc(cc1N)F 62a_100009817643_200025704644 [1,1,0,0,0,0|2,0,0]=4 2155 B10R1.25 [13CH3]Sc1ncc(cc1N)F 62a_200025704644_100009817643 [1,1,0,0,0,0|2,0,0]=4 2156 B10R1.25 [13CH3]Sc1ncc(cc1N)N 62a_200000093520_200025704644 [1,1,0,0,0,0|2,0,0]=4 2157 B10R1.25 [13CH3]Sc1ncc(cc1N)N 62a_200025704644_200000093520 [1,1,0,0,0,0|2,0,0]=4 2158 B10R1.25 [13CH3]Sc1ncc(cc1O)Br 62a_100010210634_200025704644 [1,1,0,0,0,0|2,0,0]=4 2159 B10R1.25 [13CH3]Sc1ncc(cc1O)Br 62a_200025704644_100010210634 [1,1,0,0,0,0|2,0,0]=4 2160 B10R1.25 [13CH3]Sc1ncc(cc1O)Cl 62a_100010233512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2161 B10R1.25 [13CH3]Sc1ncc(cc1O)Cl 62a_200025704644_100010233512 [1,1,0,0,0,0|2,0,0]=4 2162 B10R1.25 [13CH3]Sc1ncc(cc1O)F 62a_100009820119_200025704644 [1,1,0,0,0,0|2,0,0]=4 2163 B10R1.25 [13CH3]Sc1ncc(cc1O)F 62a_200025704644_100000079967 [1,1,0,0,0,0|2,0,0]=4 2164 B10R1.25 [13CH3]Sc1ncc(nc1Br)Br 62a_100010235571_200025704644 [1,1,0,0,0,0|1,0,0]=3 2165 B10R1.25 [13CH3]Sc1ncc(nc1Br)Br 62a_200025704644_100010235571 [1,1,0,0,0,0|1,0,0]=3 2166 B10R1.25 [13CH3]Sc1ncc(nc1Cl)Cl 62a_200025704644_100010173851 [1,1,0,0,0,0|1,0,0]=3 2167 B10R1.25 [13CH3]Sc1ncc(nc1Cl)N 62a_100010116657_200025704644 [1,1,0,0,0,0|1,0,0]=3 2168 B10R1.25 [13CH3]Sc1ncc(nc1Cl)N 62a_200025704644_100010116657 [1,1,0,0,0,0|1,0,0]=3 2169 B10R1.30 C=Cc1nc(cnc1C)C 271570a_100011290941_100000211308 [1,1,0,0,0,0|0,0,2]=4 2170 B10R1.30 C=Cc1nc(cnc1C)N 271570a_100011290941_100009877824 [1,1,0,0,0,0|0,0,2]=4 2171 B10R1.30 CCc1nc(ccc1N)O 271570a_203496583355_100009871203 [1,1,0,0,0,0|2,0,0]=4 2172 B10R1.30 CNc1nc(cnc1C)C 27a_100102657272_100000211308 [1,1,0,0,0,0|1,0,0]=3 2173 B10R1.30 COc1cc(cnc1C)Br 34a_100009864810_200000210301 [1,1,0,0,0,0|1,1,0]=4 2174 B10R1.30 COc1cc(cnc1C)Br 7a_100009864810_200000210301 [1,1,0,0,0,0|1,1,0]=4 2175 B10R1.30 COc1cc(cnc1C)O 271570a_203496583355_100010254219 [1,1,0,0,0,0|1,1,0]=4 2176 B10R1.30 COc1nc(cnc1N)O 271570a_203496583355_100009816943 [1,1,0,0,0,0|1,1,0]=4 2177 B10R1.30 COc1nc(cnc1O)Br 271570a_203496583355_100010214903 [1,1,0,0,0,0|1,1,0]=4 2178 B10R1.30 COc1nc(cnc1O)N 271570a_203496583355_100010128448 [1,1,0,0,0,0|1,1,0]=4 2179 B10R1.30 COc1nc(cnc1O)O 271570a_203496583355_200010365344 [1,1,0,0,0,0|1,1,0]=4 2180 B10R1.30 CSc1cc(ccc1C)Br 62a_100011344865_200000210301 [1,1,0,0,0,0|2,0,0]=4 2181 B10R1.30 CSc1cc(ccc1C)Br 62a_200000210301_100011344865 [1,1,0,0,0,0|2,0,0]=4 2182 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [1,1,0,0,0,0|2,0,0]=4 2183 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [1,1,0,0,0,0|2,0,0]=4 2184 B10R1.30 CSc1cc(ccc1C)Cl 62a_100011263213_200000210301 [1,1,0,0,0,0|2,0,0]=4 2185 B10R1.30 CSc1cc(ccc1C)Cl 62a_200000210301_100011263213 [1,1,0,0,0,0|2,0,0]=4 2186 B10R1.30 CSc1cc(ccc1C)F 62a_100011218078_200000210301 [1,1,0,0,0,0|2,0,0]=4 2187 B10R1.30 CSc1cc(ccc1C)F 62a_200000210301_100011218078 [1,1,0,0,0,0|2,0,0]=4 2188 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,1,0,0,0,0|2,0,0]=4 2189 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,1,0,0,0,0|2,0,0]=4 2190 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [1,1,0,0,0,0|2,0,0]=4 2191 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [1,1,0,0,0,0|2,0,0]=4 2192 B10R1.30 CSc1cc(cnc1Br)N 62a_100010201102_200000210301 [1,1,0,0,0,0|2,0,0]=4 2193 B10R1.30 CSc1cc(cnc1Br)N 62a_200000210301_100010201102 [1,1,0,0,0,0|2,0,0]=4 2194 B10R1.30 CSc1cc(cnc1C)Br 62a_200000210301_200010090566 [1,1,0,0,0,0|1,0,0]=3 2195 B10R1.30 CSc1cc(cnc1C)Br 62a_200010090566_200000210301 [1,1,0,0,0,0|1,0,0]=3 2196 B10R1.30 CSc1cc(cnc1C)C 62a_100009817436_200000210301 [1,1,0,0,0,0|1,0,0]=3 2197 B10R1.30 CSc1cc(cnc1C)C 62a_200000210301_100009817436 [1,1,0,0,0,0|1,0,0]=3 2198 B10R1.30 CSc1cc(cnc1C)F 62a_100009860710_200000210301 [1,1,0,0,0,0|1,0,0]=3 2199 B10R1.30 CSc1cc(cnc1C)F 62a_200000210301_100009860710 [1,1,0,0,0,0|1,0,0]=3 2200 B10R1.30 CSc1cc(cnc1C)N 62a_100011998591_200000210301 [1,1,0,0,0,0|1,0,0]=3 2201 B10R1.30 CSc1cc(cnc1C)N 62a_200000210301_100011998591 [1,1,0,0,0,0|1,0,0]=3 2202 B10R1.30 CSc1cc(cnc1C)O 62a_100009819603_200000210301 [1,1,0,0,0,0|1,0,0]=3 2203 B10R1.30 CSc1cc(cnc1C)O 62a_200000210301_100009819603 [1,1,0,0,0,0|1,0,0]=3 2204 B10R1.30 CSc1cc(cnc1Cl)Br 62a_100009814771_200000210301 [1,1,0,0,0,0|2,0,0]=4 2205 B10R1.30 CSc1cc(cnc1Cl)Br 62a_200000210301_100009814771 [1,1,0,0,0,0|2,0,0]=4 2206 B10R1.30 CSc1cc(cnc1Cl)C 62a_100010210167_200000210301 [1,1,0,0,0,0|2,0,0]=4 2207 B10R1.30 CSc1cc(cnc1Cl)C 62a_200000210301_100010210167 [1,1,0,0,0,0|2,0,0]=4 2208 B10R1.30 CSc1cc(cnc1Cl)Cl 62a_200000062399_200000210301 [1,1,0,0,0,0|2,0,0]=4 2209 B10R1.30 CSc1cc(cnc1Cl)Cl 62a_200000210301_200000062399 [1,1,0,0,0,0|2,0,0]=4 2210 B10R1.30 CSc1cc(cnc1Cl)N 62a_100010253917_200000210301 [1,1,0,0,0,0|2,0,0]=4 2211 B10R1.30 CSc1cc(cnc1Cl)N 62a_200000210301_100010253917 [1,1,0,0,0,0|2,0,0]=4 2212 B10R1.30 CSc1cc(cnc1F)Br 62a_100010172738_200000210301 [1,1,0,0,0,0|2,0,0]=4 2213 B10R1.30 CSc1cc(cnc1F)Br 62a_200000210301_100010172738 [1,1,0,0,0,0|2,0,0]=4 2214 B10R1.30 CSc1cc(cnc1F)C 62a_100000049784_200000210301 [1,1,0,0,0,0|2,0,0]=4 2215 B10R1.30 CSc1cc(cnc1F)C 62a_200000210301_100000049784 [1,1,0,0,0,0|2,0,0]=4 2216 B10R1.30 CSc1cc(cnc1F)Cl 62a_100010188783_200000210301 [1,1,0,0,0,0|2,0,0]=4 2217 B10R1.30 CSc1cc(cnc1F)Cl 62a_200000210301_100010188783 [1,1,0,0,0,0|2,0,0]=4 2218 B10R1.30 CSc1cc(cnc1F)F 62a_100009820768_200000210301 [1,1,0,0,0,0|2,0,0]=4 2219 B10R1.30 CSc1cc(cnc1F)F 62a_200000210301_100009820768 [1,1,0,0,0,0|2,0,0]=4 2220 B10R1.30 CSc1cc(cnc1F)N 62a_100009840397_200000210301 [1,1,0,0,0,0|2,0,0]=4 2221 B10R1.30 CSc1cc(cnc1F)N 62a_200000210301_100009840397 [1,1,0,0,0,0|2,0,0]=4 2222 B10R1.30 CSc1cc(cnc1F)O 62a_100009817267_200000210301 [1,1,0,0,0,0|2,0,0]=4 2223 B10R1.30 CSc1cc(cnc1F)O 62a_200000210301_100009817267 [1,1,0,0,0,0|2,0,0]=4 2224 B10R1.30 CSc1cc(cnc1N)Br 62a_100000760472_200000210301 [1,1,0,0,0,0|2,0,0]=4 2225 B10R1.30 CSc1cc(cnc1N)Br 62a_200000210301_100000760472 [1,1,0,0,0,0|2,0,0]=4 2226 B10R1.30 CSc1cc(cnc1N)C 62a_100000049664_200000210301 [1,1,0,0,0,0|2,0,0]=4 2227 B10R1.30 CSc1cc(cnc1N)C 62a_200000210301_100000049664 [1,1,0,0,0,0|2,0,0]=4 2228 B10R1.30 CSc1cc(cnc1N)Cl 62a_100000050159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2229 B10R1.30 CSc1cc(cnc1N)Cl 62a_200000210301_100000050159 [1,1,0,0,0,0|2,0,0]=4 2230 B10R1.30 CSc1cc(cnc1N)F 62a_100009814671_200000210301 [1,1,0,0,0,0|2,0,0]=4 2231 B10R1.30 CSc1cc(cnc1N)F 62a_200000210301_100009814671 [1,1,0,0,0,0|2,0,0]=4 2232 B10R1.30 CSc1cc(cnc1N)N 62a_200000210301_200011934315 [1,1,0,0,0,0|2,0,0]=4 2233 B10R1.30 CSc1cc(cnc1N)N 62a_200011934315_200000210301 [1,1,0,0,0,0|2,0,0]=4 2234 B10R1.30 CSc1cc(cnc1O)Br 62a_100010197142_200000210301 [1,1,0,0,0,0|2,0,0]=4 2235 B10R1.30 CSc1cc(cnc1O)Br 62a_200000210301_100010197142 [1,1,0,0,0,0|2,0,0]=4 2236 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [1,1,0,0,0,0|2,0,0]=4 2237 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [1,1,0,0,0,0|2,0,0]=4 2238 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [1,1,0,0,0,0|2,0,0]=4 2239 B10R1.30 CSc1cc(cnc1O)Cl 62a_100010188700_200000210301 [1,1,0,0,0,0|2,0,0]=4 2240 B10R1.30 CSc1cc(cnc1O)Cl 62a_200000210301_100010188700 [1,1,0,0,0,0|2,0,0]=4 2241 B10R1.30 CSc1nc(c[nH]c1=O)C 62a_100009858157_200000210301 [1,1,0,0,0,0|1,0,1]=4 2242 B10R1.30 CSc1nc(c[nH]c1=O)C 62a_200000210301_100009858157 [1,1,0,0,0,0|1,0,1]=4 2243 B10R1.30 CSc1nc(ccc1Br)N 62a_100010192275_200000210301 [1,1,0,0,0,0|2,0,0]=4 2244 B10R1.30 CSc1nc(ccc1Br)N 62a_200000210301_100010192275 [1,1,0,0,0,0|2,0,0]=4 2245 B10R1.30 CSc1nc(ccc1C)C 62a_100009854376_200000210301 [1,1,0,0,0,0|1,0,0]=3 2246 B10R1.30 CSc1nc(ccc1C)C 62a_200000210301_100009854376 [1,1,0,0,0,0|1,0,0]=3 2247 B10R1.30 CSc1nc(ccc1C)N 62a_100000126722_200000210301 [1,1,0,0,0,0|1,0,0]=3 2248 B10R1.30 CSc1nc(ccc1C)N 62a_200000210301_100000126722 [1,1,0,0,0,0|1,0,0]=3 2249 B10R1.30 CSc1nc(ccc1F)C 62a_100009817602_200000210301 [1,1,0,0,0,0|2,0,0]=4 2250 B10R1.30 CSc1nc(ccc1F)C 62a_200000210301_100009817602 [1,1,0,0,0,0|2,0,0]=4 2251 B10R1.30 CSc1nc(ccc1F)Cl 62a_100010136221_200000210301 [1,1,0,0,0,0|2,0,0]=4 2252 B10R1.30 CSc1nc(ccc1F)Cl 62a_200000210301_100010136221 [1,1,0,0,0,0|2,0,0]=4 2253 B10R1.30 CSc1nc(ccc1F)F 62a_100010997973_200000210301 [1,1,0,0,0,0|2,0,0]=4 2254 B10R1.30 CSc1nc(ccc1F)F 62a_200000210301_100010997973 [1,1,0,0,0,0|2,0,0]=4 2255 B10R1.30 CSc1nc(ccc1F)N 62a_100010892222_200000210301 [1,1,0,0,0,0|2,0,0]=4 2256 B10R1.30 CSc1nc(ccc1F)N 62a_200000210301_100010892222 [1,1,0,0,0,0|2,0,0]=4 2257 B10R1.30 CSc1nc(ccc1N)Br 62a_100010168765_200000210301 [1,1,0,0,0,0|2,0,0]=4 2258 B10R1.30 CSc1nc(ccc1N)Br 62a_200000210301_100010168765 [1,1,0,0,0,0|2,0,0]=4 2259 B10R1.30 CSc1nc(ccc1N)C 62a_100000685570_200000210301 [1,1,0,0,0,0|2,0,0]=4 2260 B10R1.30 CSc1nc(ccc1N)C 62a_200000210301_100000685570 [1,1,0,0,0,0|2,0,0]=4 2261 B10R1.30 CSc1nc(ccc1N)Cl 62a_100010233647_200000210301 [1,1,0,0,0,0|2,0,0]=4 2262 B10R1.30 CSc1nc(ccc1N)Cl 62a_200000210301_100010233647 [1,1,0,0,0,0|2,0,0]=4 2263 B10R1.30 CSc1nc(ccc1N)F 62a_100009879877_200000210301 [1,1,0,0,0,0|2,0,0]=4 2264 B10R1.30 CSc1nc(ccc1N)F 62a_200000210301_100009879877 [1,1,0,0,0,0|2,0,0]=4 2265 B10R1.30 CSc1nc(ccc1N)N 62a_200000210301_200009884323 [1,1,0,0,0,0|2,0,0]=4 2266 B10R1.30 CSc1nc(ccc1N)N 62a_200009884323_200000210301 [1,1,0,0,0,0|2,0,0]=4 2267 B10R1.30 CSc1nc(ccc1O)Br 62a_100010253912_200000210301 [1,1,0,0,0,0|2,0,0]=4 2268 B10R1.30 CSc1nc(ccc1O)Br 62a_200000210301_100010253912 [1,1,0,0,0,0|2,0,0]=4 2269 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [1,1,0,0,0,0|2,0,0]=4 2270 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [1,1,0,0,0,0|2,0,0]=4 2271 B10R1.30 CSc1nc(ccc1O)Cl 62a_200000210301_100000696390 [1,1,0,0,0,0|2,0,0]=4 2272 B10R1.30 CSc1nc(ccc1O)F 62a_100010382442_200000210301 [1,1,0,0,0,0|2,0,0]=4 2273 B10R1.30 CSc1nc(ccc1O)F 62a_200000210301_100010382442 [1,1,0,0,0,0|2,0,0]=4 2274 B10R1.30 CSc1nc(cnc1C)C 62a_100000211308_200000210301 [1,1,0,0,0,0|0,0,0]=2 2275 B10R1.30 CSc1nc(cnc1C)C 62a_200000210301_100000211308 [1,1,0,0,0,0|0,0,0]=2 2276 B10R1.30 CSc1nc(cnc1C)N 62a_100009877824_200000210301 [1,1,0,0,0,0|0,0,0]=2 2277 B10R1.30 CSc1nc(cnc1C)N 62a_200000210301_100009877824 [1,1,0,0,0,0|0,0,0]=2 2278 B10R1.30 CSc1nc(cnc1N)Br 62a_100010988662_200000210301 [1,1,0,0,0,0|1,0,0]=3 2279 B10R1.30 CSc1nc(cnc1N)Br 62a_200000210301_100010988662 [1,1,0,0,0,0|1,0,0]=3 2280 B10R1.30 CSc1nc(cnc1N)C 62a_100009819049_200000210301 [1,1,0,0,0,0|1,0,0]=3 2281 B10R1.30 CSc1nc(cnc1N)C 62a_200000210301_100009819049 [1,1,0,0,0,0|1,0,0]=3 2282 B10R1.30 CSc1nc(ncc1C)N 62a_100000016107_200000210301 [1,1,0,0,0,0|2,0,0]=4 2283 B10R1.30 CSc1nc(ncc1C)N 62a_200000210301_100000016107 [1,1,0,0,0,0|2,0,0]=4 2284 B10R1.30 CSc1nc(ncc1C)O 271570a_203496583355_100012501347 [1,1,0,0,0,0|2,0,0]=4 2285 B10R1.30 Cc1c[nH]c(=O)c(n1)S[13CH3] 62a_100009858157_200025704644 [1,1,0,0,0,0|1,0,1]=4 2286 B10R1.30 Cc1c[nH]c(=O)c(n1)S[13CH3] 62a_200025704644_100009858157 [1,1,0,0,0,0|1,0,1]=4 2287 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [1,1,0,0,0,0|2,0,0]=4 2288 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [1,1,0,0,0,0|2,0,0]=4 2289 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_100009854376_200025704644 [1,1,0,0,0,0|1,0,0]=3 2290 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_200025704644_100009854376 [1,1,0,0,0,0|1,0,0]=3 2291 B10R1.30 Cc1ccc(c(n1)S[13CH3])F 62a_100009817602_200025704644 [1,1,0,0,0,0|2,0,0]=4 2292 B10R1.30 Cc1ccc(c(n1)S[13CH3])F 62a_200025704644_100009817602 [1,1,0,0,0,0|2,0,0]=4 2293 B10R1.30 Cc1ccc(c(n1)S[13CH3])N 62a_100000685570_200025704644 [1,1,0,0,0,0|2,0,0]=4 2294 B10R1.30 Cc1ccc(c(n1)S[13CH3])N 62a_200025704644_100000685570 [1,1,0,0,0,0|2,0,0]=4 2295 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [1,1,0,0,0,0|2,0,0]=4 2296 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [1,1,0,0,0,0|2,0,0]=4 2297 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_100011344865_200025704644 [1,1,0,0,0,0|2,0,0]=4 2298 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_200025704644_100011344865 [1,1,0,0,0,0|2,0,0]=4 2299 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_100011263213_200025704644 [1,1,0,0,0,0|2,0,0]=4 2300 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011263213 [1,1,0,0,0,0|2,0,0]=4 2301 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_100011218078_200025704644 [1,1,0,0,0,0|2,0,0]=4 2302 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_200025704644_100011218078 [1,1,0,0,0,0|2,0,0]=4 2303 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,1,0,0,0,0|2,0,0]=4 2304 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,1,0,0,0,0|2,0,0]=4 2305 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [1,1,0,0,0,0|2,0,0]=4 2306 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [1,1,0,0,0,0|2,0,0]=4 2307 B10R1.30 Cc1ccc(nc1S[13CH3])N 62a_100000126722_200025704644 [1,1,0,0,0,0|1,0,0]=3 2308 B10R1.30 Cc1ccc(nc1S[13CH3])N 62a_200025704644_100000126722 [1,1,0,0,0,0|1,0,0]=3 2309 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_100009817436_200025704644 [1,1,0,0,0,0|1,0,0]=3 2310 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_200025704644_100009817436 [1,1,0,0,0,0|1,0,0]=3 2311 B10R1.30 Cc1cnc(c(c1)S[13CH3])Cl 62a_100010210167_200025704644 [1,1,0,0,0,0|2,0,0]=4 2312 B10R1.30 Cc1cnc(c(c1)S[13CH3])Cl 62a_200025704644_100010210167 [1,1,0,0,0,0|2,0,0]=4 2313 B10R1.30 Cc1cnc(c(c1)S[13CH3])F 62a_100000049784_200025704644 [1,1,0,0,0,0|2,0,0]=4 2314 B10R1.30 Cc1cnc(c(c1)S[13CH3])F 62a_200025704644_100000049784 [1,1,0,0,0,0|2,0,0]=4 2315 B10R1.30 Cc1cnc(c(c1)S[13CH3])N 62a_100000049664_200025704644 [1,1,0,0,0,0|2,0,0]=4 2316 B10R1.30 Cc1cnc(c(c1)S[13CH3])N 62a_200025704644_100000049664 [1,1,0,0,0,0|2,0,0]=4 2317 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [1,1,0,0,0,0|2,0,0]=4 2318 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [1,1,0,0,0,0|2,0,0]=4 2319 B10R1.30 Cc1cnc(c(n1)S[13CH3])C 62a_100000211308_200025704644 [1,1,0,0,0,0|0,0,0]=2 2320 B10R1.30 Cc1cnc(c(n1)S[13CH3])C 62a_200025704644_100000211308 [1,1,0,0,0,0|0,0,0]=2 2321 B10R1.30 Cc1cnc(c(n1)S[13CH3])N 62a_100009819049_200025704644 [1,1,0,0,0,0|1,0,0]=3 2322 B10R1.30 Cc1cnc(c(n1)S[13CH3])N 62a_200025704644_100009819049 [1,1,0,0,0,0|1,0,0]=3 2323 B10R1.30 Cc1cnc(nc1S[13CH3])N 62a_100000016107_200025704644 [1,1,0,0,0,0|2,0,0]=4 2324 B10R1.30 Cc1cnc(nc1S[13CH3])N 62a_200025704644_100000016107 [1,1,0,0,0,0|2,0,0]=4 2325 B10R1.30 Cc1ncc(cc1CO)O 271570a_203496583355_100010894652 [1,1,0,0,0,0|2,0,0]=4 2326 B10R1.30 Cc1ncc(cc1O[13CH3])Br 34a_100009864810_200025704644 [1,1,0,0,0,0|1,1,0]=4 2327 B10R1.30 Cc1ncc(cc1O[13CH3])Br 7a_100009864810_200025704644 [1,1,0,0,0,0|1,1,0]=4 2328 B10R1.30 Cc1ncc(cc1S[13CH3])Br 62a_200010090566_200025704644 [1,1,0,0,0,0|1,0,0]=3 2329 B10R1.30 Cc1ncc(cc1S[13CH3])Br 62a_200025704644_200010090566 [1,1,0,0,0,0|1,0,0]=3 2330 B10R1.30 Cc1ncc(cc1S[13CH3])F 62a_100009860710_200025704644 [1,1,0,0,0,0|1,0,0]=3 2331 B10R1.30 Cc1ncc(cc1S[13CH3])F 62a_200025704644_100009860710 [1,1,0,0,0,0|1,0,0]=3 2332 B10R1.30 Cc1ncc(cc1S[13CH3])N 62a_100011998591_200025704644 [1,1,0,0,0,0|1,0,0]=3 2333 B10R1.30 Cc1ncc(cc1S[13CH3])N 62a_200025704644_100011998591 [1,1,0,0,0,0|1,0,0]=3 2334 B10R1.30 Cc1ncc(cc1S[13CH3])O 62a_100009819603_200025704644 [1,1,0,0,0,0|1,0,0]=3 2335 B10R1.30 Cc1ncc(cc1S[13CH3])O 62a_200025704644_100009819603 [1,1,0,0,0,0|1,0,0]=3 2336 B10R1.30 Cc1ncc(nc1S[13CH3])N 62a_100009877824_200025704644 [1,1,0,0,0,0|0,0,0]=2 2337 B10R1.30 Cc1ncc(nc1S[13CH3])N 62a_200025704644_100009877824 [1,1,0,0,0,0|0,0,0]=2 2338 B10R1.30 Nc1ncc(nc1CO)O 271570a_203496583355_100010174834 [1,1,0,0,0,0|2,0,0]=4 2339 B10R1.30 [13CH3]Sc1cc(cnc1Br)N 62a_100010201102_200025704644 [1,1,0,0,0,0|2,0,0]=4 2340 B10R1.30 [13CH3]Sc1cc(cnc1Br)N 62a_200025704644_100010201102 [1,1,0,0,0,0|2,0,0]=4 2341 B10R1.30 [13CH3]Sc1cc(cnc1Cl)Br 62a_100009814771_200025704644 [1,1,0,0,0,0|2,0,0]=4 2342 B10R1.30 [13CH3]Sc1cc(cnc1Cl)Br 62a_200025704644_100009814771 [1,1,0,0,0,0|2,0,0]=4 2343 B10R1.30 [13CH3]Sc1cc(cnc1Cl)Cl 62a_200000062399_200025704644 [1,1,0,0,0,0|2,0,0]=4 2344 B10R1.30 [13CH3]Sc1cc(cnc1Cl)Cl 62a_200025704644_200000062399 [1,1,0,0,0,0|2,0,0]=4 2345 B10R1.30 [13CH3]Sc1cc(cnc1Cl)N 62a_100010253917_200025704644 [1,1,0,0,0,0|2,0,0]=4 2346 B10R1.30 [13CH3]Sc1cc(cnc1Cl)N 62a_200025704644_100010253917 [1,1,0,0,0,0|2,0,0]=4 2347 B10R1.30 [13CH3]Sc1cc(cnc1F)Br 62a_100010172738_200025704644 [1,1,0,0,0,0|2,0,0]=4 2348 B10R1.30 [13CH3]Sc1cc(cnc1F)Br 62a_200025704644_100010172738 [1,1,0,0,0,0|2,0,0]=4 2349 B10R1.30 [13CH3]Sc1cc(cnc1F)Cl 62a_100010188783_200025704644 [1,1,0,0,0,0|2,0,0]=4 2350 B10R1.30 [13CH3]Sc1cc(cnc1F)Cl 62a_200025704644_100010188783 [1,1,0,0,0,0|2,0,0]=4 2351 B10R1.30 [13CH3]Sc1cc(cnc1F)F 62a_100009820768_200025704644 [1,1,0,0,0,0|2,0,0]=4 2352 B10R1.30 [13CH3]Sc1cc(cnc1F)F 62a_200025704644_100009820768 [1,1,0,0,0,0|2,0,0]=4 2353 B10R1.30 [13CH3]Sc1cc(cnc1F)N 62a_100009840397_200025704644 [1,1,0,0,0,0|2,0,0]=4 2354 B10R1.30 [13CH3]Sc1cc(cnc1F)N 62a_200025704644_100009840397 [1,1,0,0,0,0|2,0,0]=4 2355 B10R1.30 [13CH3]Sc1cc(cnc1F)O 62a_100009817267_200025704644 [1,1,0,0,0,0|2,0,0]=4 2356 B10R1.30 [13CH3]Sc1cc(cnc1F)O 62a_200025704644_100009817267 [1,1,0,0,0,0|2,0,0]=4 2357 B10R1.30 [13CH3]Sc1cc(cnc1N)Br 62a_100000760472_200025704644 [1,1,0,0,0,0|2,0,0]=4 2358 B10R1.30 [13CH3]Sc1cc(cnc1N)Br 62a_200025704644_100000760472 [1,1,0,0,0,0|2,0,0]=4 2359 B10R1.30 [13CH3]Sc1cc(cnc1N)Cl 62a_100000050159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2360 B10R1.30 [13CH3]Sc1cc(cnc1N)Cl 62a_200025704644_100000050159 [1,1,0,0,0,0|2,0,0]=4 2361 B10R1.30 [13CH3]Sc1cc(cnc1N)F 62a_100009814671_200025704644 [1,1,0,0,0,0|2,0,0]=4 2362 B10R1.30 [13CH3]Sc1cc(cnc1N)F 62a_200025704644_100009814671 [1,1,0,0,0,0|2,0,0]=4 2363 B10R1.30 [13CH3]Sc1cc(cnc1N)N 62a_200011934315_200025704644 [1,1,0,0,0,0|2,0,0]=4 2364 B10R1.30 [13CH3]Sc1cc(cnc1N)N 62a_200025704644_200011934315 [1,1,0,0,0,0|2,0,0]=4 2365 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_100010197142_200025704644 [1,1,0,0,0,0|2,0,0]=4 2366 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_200025704644_100010197142 [1,1,0,0,0,0|2,0,0]=4 2367 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_100010188700_200025704644 [1,1,0,0,0,0|2,0,0]=4 2368 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_200025704644_100010188700 [1,1,0,0,0,0|2,0,0]=4 2369 B10R1.30 [13CH3]Sc1nc(ccc1Br)N 62a_100010192275_200025704644 [1,1,0,0,0,0|2,0,0]=4 2370 B10R1.30 [13CH3]Sc1nc(ccc1Br)N 62a_200025704644_100010192275 [1,1,0,0,0,0|2,0,0]=4 2371 B10R1.30 [13CH3]Sc1nc(ccc1F)Cl 62a_100010136221_200025704644 [1,1,0,0,0,0|2,0,0]=4 2372 B10R1.30 [13CH3]Sc1nc(ccc1F)Cl 62a_200025704644_100010136221 [1,1,0,0,0,0|2,0,0]=4 2373 B10R1.30 [13CH3]Sc1nc(ccc1F)F 62a_100010997973_200025704644 [1,1,0,0,0,0|2,0,0]=4 2374 B10R1.30 [13CH3]Sc1nc(ccc1F)F 62a_200025704644_100010997973 [1,1,0,0,0,0|2,0,0]=4 2375 B10R1.30 [13CH3]Sc1nc(ccc1F)N 62a_100010892222_200025704644 [1,1,0,0,0,0|2,0,0]=4 2376 B10R1.30 [13CH3]Sc1nc(ccc1F)N 62a_200025704644_100010892222 [1,1,0,0,0,0|2,0,0]=4 2377 B10R1.30 [13CH3]Sc1nc(ccc1N)Br 62a_100010168765_200025704644 [1,1,0,0,0,0|2,0,0]=4 2378 B10R1.30 [13CH3]Sc1nc(ccc1N)Br 62a_200025704644_100010168765 [1,1,0,0,0,0|2,0,0]=4 2379 B10R1.30 [13CH3]Sc1nc(ccc1N)Cl 62a_100010233647_200025704644 [1,1,0,0,0,0|2,0,0]=4 2380 B10R1.30 [13CH3]Sc1nc(ccc1N)Cl 62a_200025704644_100010233647 [1,1,0,0,0,0|2,0,0]=4 2381 B10R1.30 [13CH3]Sc1nc(ccc1N)F 62a_100009879877_200025704644 [1,1,0,0,0,0|2,0,0]=4 2382 B10R1.30 [13CH3]Sc1nc(ccc1N)F 62a_200025704644_100009879877 [1,1,0,0,0,0|2,0,0]=4 2383 B10R1.30 [13CH3]Sc1nc(ccc1N)N 62a_200009884323_200025704644 [1,1,0,0,0,0|2,0,0]=4 2384 B10R1.30 [13CH3]Sc1nc(ccc1N)N 62a_200025704644_200009884323 [1,1,0,0,0,0|2,0,0]=4 2385 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_100010253912_200025704644 [1,1,0,0,0,0|2,0,0]=4 2386 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_200025704644_100010253912 [1,1,0,0,0,0|2,0,0]=4 2387 B10R1.30 [13CH3]Sc1nc(ccc1O)Cl 62a_200025704644_100000696390 [1,1,0,0,0,0|2,0,0]=4 2388 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_100010382442_200025704644 [1,1,0,0,0,0|2,0,0]=4 2389 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_200025704644_100010382442 [1,1,0,0,0,0|2,0,0]=4 2390 B10R1.30 [13CH3]Sc1nc(cnc1N)Br 62a_100010988662_200025704644 [1,1,0,0,0,0|1,0,0]=3 2391 B10R1.30 [13CH3]Sc1nc(cnc1N)Br 62a_200025704644_100010988662 [1,1,0,0,0,0|1,0,0]=3 2392 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,1,0,0,0,0|1,0,1]=4 2393 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,1,0,0,0,0|1,0,1]=4 2394 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [1,1,0,0,0,0|0,0,1]=3 2395 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [1,1,0,0,0,0|1,0,1]=4 2396 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [1,1,0,0,0,0|1,0,1]=4 2397 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,1,0,0,0,0|0,1,1]=4 2398 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [1,1,0,0,0,0|1,1,0]=4 2399 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [1,1,0,0,0,0|1,1,0]=4 2400 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,1,0,0,0,0|1,1,0]=4 2401 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [1,1,0,0,0,0|2,0,0]=4 2402 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [1,1,0,0,0,0|1,1,0]=4 2403 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [1,1,0,0,0,0|1,1,0]=4 2404 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [1,1,0,0,0,0|1,0,0]=3 2405 B10R1.245 COc1c(ccnc1C)C 34a_100011934651_200000210301 [1,1,0,0,0,0|1,1,0]=4 2406 B10R1.245 COc1c(ccnc1C)C 7a_100011934651_200000210301 [1,1,0,0,0,0|1,1,0]=4 2407 B10R1.245 COc1c(ccnc1C)O 271570a_203496583355_100000685116 [1,1,0,0,0,0|1,1,0]=4 2408 B10R1.245 CSc1c(ccc[n+]1[O-])C 62a_200000210301_100116209805 [1,1,0,0,0,0|1,0,1]=4 2409 B10R1.245 CSc1c(cccc1Br)C 62a_100010141302_200000210301 [1,1,0,0,0,0|2,0,0]=4 2410 B10R1.245 CSc1c(cccc1Br)C 62a_200000210301_100010141302 [1,1,0,0,0,0|2,0,0]=4 2411 B10R1.245 CSc1c(cccc1C)C 62a_100000033847_200000210301 [1,1,0,0,0,0|2,0,0]=4 2412 B10R1.245 CSc1c(cccc1C)C 62a_200000210301_100000033847 [1,1,0,0,0,0|2,0,0]=4 2413 B10R1.245 CSc1c(cccc1Cl)C 62a_100000043165_200000210301 [1,1,0,0,0,0|2,0,0]=4 2414 B10R1.245 CSc1c(cccc1Cl)C 62a_200000210301_100000043165 [1,1,0,0,0,0|2,0,0]=4 2415 B10R1.245 CSc1c(cccc1F)C 62a_100011218421_200000210301 [1,1,0,0,0,0|2,0,0]=4 2416 B10R1.245 CSc1c(cccc1F)C 62a_200000210301_100011218421 [1,1,0,0,0,0|2,0,0]=4 2417 B10R1.245 CSc1c(cccc1N)C 62a_100000684715_200000210301 [1,1,0,0,0,0|2,0,0]=4 2418 B10R1.245 CSc1c(cccc1N)C 62a_200000210301_100000684715 [1,1,0,0,0,0|2,0,0]=4 2419 B10R1.245 CSc1c(cccc1O)C 62a_100000686692_200000210301 [1,1,0,0,0,0|2,0,0]=4 2420 B10R1.245 CSc1c(cccc1O)C 62a_200000210301_100000686692 [1,1,0,0,0,0|2,0,0]=4 2421 B10R1.245 CSc1c(ccnc1C)C 62a_100012000501_200000210301 [1,1,0,0,0,0|1,0,0]=3 2422 B10R1.245 CSc1c(ccnc1C)C 62a_200000210301_100012000501 [1,1,0,0,0,0|1,0,0]=3 2423 B10R1.245 CSc1c(ccnc1C)N 62a_100010243816_200000210301 [1,1,0,0,0,0|1,0,0]=3 2424 B10R1.245 CSc1c(ccnc1C)N 62a_200000210301_100010243816 [1,1,0,0,0,0|1,0,0]=3 2425 B10R1.245 CSc1c(ccnc1Cl)Br 62a_100009814607_200000210301 [1,1,0,0,0,0|2,0,0]=4 2426 B10R1.245 CSc1c(ccnc1Cl)Br 62a_200000210301_100009814607 [1,1,0,0,0,0|2,0,0]=4 2427 B10R1.245 CSc1c(ccnc1Cl)C 62a_100010248874_200000210301 [1,1,0,0,0,0|2,0,0]=4 2428 B10R1.245 CSc1c(ccnc1Cl)C 62a_200000210301_100010248874 [1,1,0,0,0,0|2,0,0]=4 2429 B10R1.245 CSc1c(ccnc1Cl)Cl 62a_100000050019_200000210301 [1,1,0,0,0,0|2,0,0]=4 2430 B10R1.245 CSc1c(ccnc1Cl)Cl 62a_200000210301_100000050019 [1,1,0,0,0,0|2,0,0]=4 2431 B10R1.245 CSc1c(ccnc1Cl)F 62a_100000716511_200000210301 [1,1,0,0,0,0|2,0,0]=4 2432 B10R1.245 CSc1c(ccnc1Cl)F 62a_200000210301_100000716511 [1,1,0,0,0,0|2,0,0]=4 2433 B10R1.245 CSc1c(ccnc1Cl)N 62a_100010208016_200000210301 [1,1,0,0,0,0|2,0,0]=4 2434 B10R1.245 CSc1c(ccnc1Cl)N 62a_200000210301_100010208016 [1,1,0,0,0,0|2,0,0]=4 2435 B10R1.245 CSc1c(ccnc1F)C 62a_100009818256_200000210301 [1,1,0,0,0,0|2,0,0]=4 2436 B10R1.245 CSc1c(ccnc1F)C 62a_200000210301_100009818256 [1,1,0,0,0,0|2,0,0]=4 2437 B10R1.245 CSc1c(ccnc1F)F 62a_100009874084_200000210301 [1,1,0,0,0,0|2,0,0]=4 2438 B10R1.245 CSc1c(ccnc1F)F 62a_200000210301_100009874084 [1,1,0,0,0,0|2,0,0]=4 2439 B10R1.245 CSc1c(ccnc1F)N 62a_100010381272_200000210301 [1,1,0,0,0,0|2,0,0]=4 2440 B10R1.245 CSc1c(ccnc1F)N 62a_200000210301_100010381272 [1,1,0,0,0,0|2,0,0]=4 2441 B10R1.245 CSc1c(ccnc1N)C 62a_100011998619_200000210301 [1,1,0,0,0,0|2,0,0]=4 2442 B10R1.245 CSc1c(ccnc1N)C 62a_200000210301_100011998619 [1,1,0,0,0,0|2,0,0]=4 2443 B10R1.245 CSc1c(ccnc1N)Cl 62a_100010199028_200000210301 [1,1,0,0,0,0|2,0,0]=4 2444 B10R1.245 CSc1c(ccnc1N)Cl 62a_200000210301_100010199028 [1,1,0,0,0,0|2,0,0]=4 2445 B10R1.245 CSc1c(ccnc1O)C 62a_100012000493_200000210301 [1,1,0,0,0,0|2,0,0]=4 2446 B10R1.245 CSc1c(ccnc1O)C 62a_200000210301_100012000493 [1,1,0,0,0,0|2,0,0]=4 2447 B10R1.245 CSc1c(ccnc1O)O 62a_200000210301_200009817435 [1,1,0,0,0,0|2,0,0]=4 2448 B10R1.245 CSc1c(nc[nH]c1=O)C 62a_100011356812_200000210301 [1,1,0,0,0,0|2,0,0]=4 2449 B10R1.245 CSc1c(nc[nH]c1=O)C 62a_200000210301_100011356812 [1,1,0,0,0,0|2,0,0]=4 2450 B10R1.245 CSc1c(ncnc1C)C 62a_100009820708_200000210301 [1,1,0,0,0,0|2,0,0]=4 2451 B10R1.245 CSc1c(ncnc1C)C 62a_200000210301_100009820708 [1,1,0,0,0,0|2,0,0]=4 2452 B10R1.245 CSc1c(ncnc1Cl)C 62a_100012356128_200000210301 [1,1,0,0,0,0|2,0,0]=4 2453 B10R1.245 CSc1c(ncnc1Cl)C 62a_200000210301_100012356128 [1,1,0,0,0,0|2,0,0]=4 2454 B10R1.245 CSc1c(ncnc1N)C 62a_100011996190_200000210301 [1,1,0,0,0,0|2,0,0]=4 2455 B10R1.245 CSc1c(ncnc1N)C 62a_200000210301_100011996190 [1,1,0,0,0,0|2,0,0]=4 2456 B10R1.245 Cc1ccc[n+](c1S[13CH3])[O-] 62a_200025704644_100116209805 [1,1,0,0,0,0|1,0,1]=4 2457 B10R1.245 Cc1cccc(c1S[13CH3])Br 62a_100010141302_200025704644 [1,1,0,0,0,0|2,0,0]=4 2458 B10R1.245 Cc1cccc(c1S[13CH3])Br 62a_200025704644_100010141302 [1,1,0,0,0,0|2,0,0]=4 2459 B10R1.245 Cc1cccc(c1S[13CH3])C 62a_100000033847_200025704644 [1,1,0,0,0,0|2,0,0]=4 2460 B10R1.245 Cc1cccc(c1S[13CH3])C 62a_200025704644_100000033847 [1,1,0,0,0,0|2,0,0]=4 2461 B10R1.245 Cc1cccc(c1S[13CH3])Cl 62a_100000043165_200025704644 [1,1,0,0,0,0|2,0,0]=4 2462 B10R1.245 Cc1cccc(c1S[13CH3])Cl 62a_200025704644_100000043165 [1,1,0,0,0,0|2,0,0]=4 2463 B10R1.245 Cc1cccc(c1S[13CH3])F 62a_100011218421_200025704644 [1,1,0,0,0,0|2,0,0]=4 2464 B10R1.245 Cc1cccc(c1S[13CH3])F 62a_200025704644_100011218421 [1,1,0,0,0,0|2,0,0]=4 2465 B10R1.245 Cc1cccc(c1S[13CH3])N 62a_100000684715_200025704644 [1,1,0,0,0,0|2,0,0]=4 2466 B10R1.245 Cc1cccc(c1S[13CH3])N 62a_200025704644_100000684715 [1,1,0,0,0,0|2,0,0]=4 2467 B10R1.245 Cc1cccc(c1S[13CH3])O 62a_100000686692_200025704644 [1,1,0,0,0,0|2,0,0]=4 2468 B10R1.245 Cc1cccc(c1S[13CH3])O 62a_200025704644_100000686692 [1,1,0,0,0,0|2,0,0]=4 2469 B10R1.245 Cc1ccnc(c1O[13CH3])C 34a_100011934651_200025704644 [1,1,0,0,0,0|1,1,0]=4 2470 B10R1.245 Cc1ccnc(c1O[13CH3])C 7a_100011934651_200025704644 [1,1,0,0,0,0|1,1,0]=4 2471 B10R1.245 Cc1ccnc(c1S[13CH3])C 62a_100012000501_200025704644 [1,1,0,0,0,0|1,0,0]=3 2472 B10R1.245 Cc1ccnc(c1S[13CH3])C 62a_200025704644_100012000501 [1,1,0,0,0,0|1,0,0]=3 2473 B10R1.245 Cc1ccnc(c1S[13CH3])Cl 62a_100010248874_200025704644 [1,1,0,0,0,0|2,0,0]=4 2474 B10R1.245 Cc1ccnc(c1S[13CH3])Cl 62a_200025704644_100010248874 [1,1,0,0,0,0|2,0,0]=4 2475 B10R1.245 Cc1ccnc(c1S[13CH3])F 62a_100009818256_200025704644 [1,1,0,0,0,0|2,0,0]=4 2476 B10R1.245 Cc1ccnc(c1S[13CH3])F 62a_200025704644_100009818256 [1,1,0,0,0,0|2,0,0]=4 2477 B10R1.245 Cc1ccnc(c1S[13CH3])N 62a_100011998619_200025704644 [1,1,0,0,0,0|2,0,0]=4 2478 B10R1.245 Cc1ccnc(c1S[13CH3])N 62a_200025704644_100011998619 [1,1,0,0,0,0|2,0,0]=4 2479 B10R1.245 Cc1ccnc(c1S[13CH3])O 62a_100012000493_200025704644 [1,1,0,0,0,0|2,0,0]=4 2480 B10R1.245 Cc1ccnc(c1S[13CH3])O 62a_200025704644_100012000493 [1,1,0,0,0,0|2,0,0]=4 2481 B10R1.245 Cc1nc[nH]c(=O)c1S[13CH3] 62a_100011356812_200025704644 [1,1,0,0,0,0|2,0,0]=4 2482 B10R1.245 Cc1nc[nH]c(=O)c1S[13CH3] 62a_200025704644_100011356812 [1,1,0,0,0,0|2,0,0]=4 2483 B10R1.245 Cc1nccc(c1S[13CH3])N 62a_100010243816_200025704644 [1,1,0,0,0,0|1,0,0]=3 2484 B10R1.245 Cc1nccc(c1S[13CH3])N 62a_200025704644_100010243816 [1,1,0,0,0,0|1,0,0]=3 2485 B10R1.245 Cc1ncnc(c1S[13CH3])C 62a_100009820708_200025704644 [1,1,0,0,0,0|2,0,0]=4 2486 B10R1.245 Cc1ncnc(c1S[13CH3])C 62a_200025704644_100009820708 [1,1,0,0,0,0|2,0,0]=4 2487 B10R1.245 Cc1ncnc(c1S[13CH3])Cl 62a_100012356128_200025704644 [1,1,0,0,0,0|2,0,0]=4 2488 B10R1.245 Cc1ncnc(c1S[13CH3])Cl 62a_200025704644_100012356128 [1,1,0,0,0,0|2,0,0]=4 2489 B10R1.245 Cc1ncnc(c1S[13CH3])N 62a_100011996190_200025704644 [1,1,0,0,0,0|2,0,0]=4 2490 B10R1.245 Cc1ncnc(c1S[13CH3])N 62a_200025704644_100011996190 [1,1,0,0,0,0|2,0,0]=4 2491 B10R1.245 [13CH3]Sc1c(ccnc1Cl)Br 62a_100009814607_200025704644 [1,1,0,0,0,0|2,0,0]=4 2492 B10R1.245 [13CH3]Sc1c(ccnc1Cl)Br 62a_200025704644_100009814607 [1,1,0,0,0,0|2,0,0]=4 2493 B10R1.245 [13CH3]Sc1c(ccnc1Cl)Cl 62a_100000050019_200025704644 [1,1,0,0,0,0|2,0,0]=4 2494 B10R1.245 [13CH3]Sc1c(ccnc1Cl)Cl 62a_200025704644_100000050019 [1,1,0,0,0,0|2,0,0]=4 2495 B10R1.245 [13CH3]Sc1c(ccnc1Cl)F 62a_100000716511_200025704644 [1,1,0,0,0,0|2,0,0]=4 2496 B10R1.245 [13CH3]Sc1c(ccnc1Cl)F 62a_200025704644_100000716511 [1,1,0,0,0,0|2,0,0]=4 2497 B10R1.245 [13CH3]Sc1c(ccnc1Cl)N 62a_100010208016_200025704644 [1,1,0,0,0,0|2,0,0]=4 2498 B10R1.245 [13CH3]Sc1c(ccnc1Cl)N 62a_200025704644_100010208016 [1,1,0,0,0,0|2,0,0]=4 2499 B10R1.245 [13CH3]Sc1c(ccnc1F)F 62a_100009874084_200025704644 [1,1,0,0,0,0|2,0,0]=4 2500 B10R1.245 [13CH3]Sc1c(ccnc1F)F 62a_200025704644_100009874084 [1,1,0,0,0,0|2,0,0]=4 2501 B10R1.245 [13CH3]Sc1c(ccnc1F)N 62a_100010381272_200025704644 [1,1,0,0,0,0|2,0,0]=4 2502 B10R1.245 [13CH3]Sc1c(ccnc1F)N 62a_200025704644_100010381272 [1,1,0,0,0,0|2,0,0]=4 2503 B10R1.245 [13CH3]Sc1c(ccnc1N)Cl 62a_100010199028_200025704644 [1,1,0,0,0,0|2,0,0]=4 2504 B10R1.245 [13CH3]Sc1c(ccnc1N)Cl 62a_200025704644_100010199028 [1,1,0,0,0,0|2,0,0]=4 2505 B10R1.245 [13CH3]Sc1c(ccnc1O)O 62a_200025704644_200009817435 [1,1,0,0,0,0|2,0,0]=4 2506 B10R1.5 CC=Cc1ccnn1CC 271570a_100016259895_100000728327 [0,1,0,0,1,0|2,0,0]=4 2507 B10R1.5 CC=Cc1ccsc1SC 271570a_100016259895_200010341309 [0,1,0,0,1,0|1,0,1]=4 2508 B10R1.5 CC=Cc1nccn1CC 271570a_100016259895_100011617267 [0,1,0,0,1,0|2,0,0]=4 2509 B10R1.5 CC=Cc1ncnn1CC 271570a_100016259895_100009879425 [0,1,0,0,1,0|2,0,0]=4 2510 B10R1.5 CC=Cc1sccc1CC 271570a_100016259895_200009875468 [0,1,0,0,1,0|2,0,0]=4 2511 B10R1.5 CCNc1ncnn1CC 27a_100015525214_100009879425 [0,1,0,0,1,0|2,0,0]=4 2512 B10R1.5 CCOc1ccnn1CC 34a_100012181048_100000210202 [0,1,0,0,1,0|1,1,0]=4 2513 B10R1.5 CCSc1c[nH]nc1OC 62a_100000210202_100010982843 [0,1,0,0,1,0|1,1,0]=4 2514 B10R1.5 CCSc1ccnn1CC 62a_100000210202_100000728327 [0,1,0,0,1,0|1,0,0]=3 2515 B10R1.5 CCSc1ccnn1CC 62a_100000728327_100000210202 [0,1,0,0,1,0|1,0,0]=3 2516 B10R1.5 CCSc1ccsc1CO 62a_100000210202_100000702026 [0,1,0,0,1,0|2,0,0]=4 2517 B10R1.5 CCSc1ccsc1CO 62a_100000702026_100000210202 [0,1,0,0,1,0|2,0,0]=4 2518 B10R1.5 CCSc1ccsc1SC 62a_100000210202_200010341309 [0,1,0,0,1,0|1,0,0]=3 2519 B10R1.5 CCSc1ccsc1SC 62a_200010341309_100000210202 [0,1,0,0,1,0|1,0,0]=3 2520 B10R1.5 CCSc1cscc1CC 62a_100000210202_100011068457 [0,1,0,0,1,0|2,0,0]=4 2521 B10R1.5 CCSc1cscc1CC 62a_100011068457_100000210202 [0,1,0,0,1,0|2,0,0]=4 2522 B10R1.5 CCSc1nccn1CC 62a_100000210202_100011617267 [0,1,0,0,1,0|1,0,0]=3 2523 B10R1.5 CCSc1nccn1CC 62a_100011617267_100000210202 [0,1,0,0,1,0|1,0,0]=3 2524 B10R1.5 CCSc1ncnn1CC 62a_100000210202_100009879425 [0,1,0,0,1,0|1,0,0]=3 2525 B10R1.5 CCSc1ncnn1CC 62a_100009879425_100000210202 [0,1,0,0,1,0|1,0,0]=3 2526 B10R1.5 CCSc1ncsc1CO 62a_100000210202_100012000948 [0,1,0,0,1,0|2,0,0]=4 2527 B10R1.5 CCSc1ncsc1CO 62a_100012000948_100000210202 [0,1,0,0,1,0|2,0,0]=4 2528 B10R1.5 CCSc1sccc1CC 62a_100000210202_200009875468 [0,1,0,0,1,0|1,0,0]=3 2529 B10R1.5 CCSc1sccc1CC 62a_200009875468_100000210202 [0,1,0,0,1,0|1,0,0]=3 2530 B10R1.5 CCSc1sccc1CN 62a_100000210202_100000727803 [0,1,0,0,1,0|2,0,0]=4 2531 B10R1.5 CCSc1sccc1CN 62a_100000727803_100000210202 [0,1,0,0,1,0|2,0,0]=4 2532 B10R1.5 CCSc1sccc1CO 62a_100000210202_100009816922 [0,1,0,0,1,0|2,0,0]=4 2533 B10R1.5 CCSc1sccc1CO 62a_100009816922_100000210202 [0,1,0,0,1,0|2,0,0]=4 2534 B10R1.5 CCc1ccsc1SCF 62a_100015361967_200009875468 [0,1,0,0,1,0|1,0,0]=3 2535 B10R1.5 CCc1ccsc1SCF 62a_200009875468_100015361967 [0,1,0,0,1,0|1,0,0]=3 2536 B10R1.5 CCc1cscc1SCF 62a_100011068457_100015361967 [0,1,0,0,1,0|2,0,0]=4 2537 B10R1.5 CCc1cscc1SCF 62a_100015361967_100011068457 [0,1,0,0,1,0|2,0,0]=4 2538 B10R1.5 CCn1ccnc1CNC 207a_100102657272_100000748659 [0,1,0,0,1,0|2,0,0]=4 2539 B10R1.5 CCn1ccnc1CNC 270004a_106832991635_100000748659 [0,1,0,0,1,0|2,0,0]=4 2540 B10R1.5 CCn1ccnc1COC 7a_100000740674_200000210301 [0,1,0,0,1,0|1,1,0]=4 2541 B10R1.5 CCn1ccnc1CO[13CH3] 7a_100000740674_200025704644 [0,1,0,0,1,0|1,1,0]=4 2542 B10R1.5 CCn1ccnc1SCF 62a_100011617267_100015361967 [0,1,0,0,1,0|1,0,0]=3 2543 B10R1.5 CCn1ccnc1SCF 62a_100015361967_100011617267 [0,1,0,0,1,0|1,0,0]=3 2544 B10R1.5 CCn1cnnc1CSC 62a_100015368369_200000210301 [0,1,0,0,1,0|2,0,0]=4 2545 B10R1.5 CCn1cnnc1CSC 62a_200000210301_100015368369 [0,1,0,0,1,0|2,0,0]=4 2546 B10R1.5 CCn1cnnc1CS[13CH3] 62a_100015368369_200025704644 [0,1,0,0,1,0|2,0,0]=4 2547 B10R1.5 CCn1cnnc1CS[13CH3] 62a_200025704644_100015368369 [0,1,0,0,1,0|2,0,0]=4 2548 B10R1.5 CCn1nccc1CNC 207a_100102657272_100000763647 [0,1,0,0,1,0|2,0,0]=4 2549 B10R1.5 CCn1nccc1CNC 2230a_106832991635_100025719316 [0,1,0,0,1,0|2,0,0]=4 2550 B10R1.5 CCn1nccc1CNC 270004a_106832991635_100000763647 [0,1,0,0,1,0|2,0,0]=4 2551 B10R1.5 CCn1nccc1CNC 34a_100102657272_100025719316 [0,1,0,0,1,0|2,0,0]=4 2552 B10R1.5 CCn1nccc1CNC 7a_106832991635_100025719316 [0,1,0,0,1,0|2,0,0]=4 2553 B10R1.5 CCn1nccc1COC 34a_100011962870_200000210301 [0,1,0,0,1,0|1,1,0]=4 2554 B10R1.5 CCn1nccc1COC 34a_100138415774_100025719316 [0,1,0,0,1,0|1,1,0]=4 2555 B10R1.5 CCn1nccc1CO[13CH3] 34a_100011962870_200025704644 [0,1,0,0,1,0|1,1,0]=4 2556 B10R1.5 CCn1nccc1CSC 62a_100025719316_200000210301 [0,1,0,0,1,0|1,0,0]=3 2557 B10R1.5 CCn1nccc1CSC 62a_200000210301_100025719316 [0,1,0,0,1,0|1,0,0]=3 2558 B10R1.5 CCn1nccc1CS[13CH3] 62a_100025719316_200025704644 [0,1,0,0,1,0|1,0,0]=3 2559 B10R1.5 CCn1nccc1CS[13CH3] 62a_200025704644_100025719316 [0,1,0,0,1,0|1,0,0]=3 2560 B10R1.5 CCn1nccc1OCF 34a_100012181048_100015361967 [0,1,0,0,1,0|1,1,0]=4 2561 B10R1.5 CCn1nccc1SCF 62a_100000728327_100015361967 [0,1,0,0,1,0|1,0,0]=3 2562 B10R1.5 CCn1nccc1SCF 62a_100015361967_100000728327 [0,1,0,0,1,0|1,0,0]=3 2563 B10R1.5 CCn1ncnc1CNC 207a_100102657272_100011935331 [0,1,0,0,1,0|2,0,0]=4 2564 B10R1.5 CCn1ncnc1CNC 270004a_106832991635_100011935331 [0,1,0,0,1,0|2,0,0]=4 2565 B10R1.5 CCn1ncnc1COC 7a_100000728737_200000210301 [0,1,0,0,1,0|1,1,0]=4 2566 B10R1.5 CCn1ncnc1CO[13CH3] 7a_100000728737_200025704644 [0,1,0,0,1,0|1,1,0]=4 2567 B10R1.5 CCn1ncnc1SCF 62a_100009879425_100015361967 [0,1,0,0,1,0|1,0,0]=3 2568 B10R1.5 CCn1ncnc1SCF 62a_100015361967_100009879425 [0,1,0,0,1,0|1,0,0]=3 2569 B10R1.5 CNCc1ccsc1SC 62a_100009817074_200000210301 [0,1,0,0,1,0|1,0,0]=3 2570 B10R1.5 CNCc1ccsc1SC 62a_200000210301_100009817074 [0,1,0,0,1,0|1,0,0]=3 2571 B10R1.5 CNCc1ccsc1S[13CH3] 62a_100009817074_200025704644 [0,1,0,0,1,0|1,0,0]=3 2572 B10R1.5 CNCc1ccsc1S[13CH3] 62a_200025704644_100009817074 [0,1,0,0,1,0|1,0,0]=3 2573 B10R1.5 CNCc1cscc1SC 62a_100011935083_200000210301 [0,1,0,0,1,0|2,0,0]=4 2574 B10R1.5 CNCc1cscc1SC 62a_200000210301_100011935083 [0,1,0,0,1,0|2,0,0]=4 2575 B10R1.5 CNCc1cscc1S[13CH3] 62a_100011935083_200025704644 [0,1,0,0,1,0|2,0,0]=4 2576 B10R1.5 CNCc1cscc1S[13CH3] 62a_200025704644_100011935083 [0,1,0,0,1,0|2,0,0]=4 2577 B10R1.5 CNCc1occc1OC 207a_100102657272_200009856553 [0,1,0,0,1,0|1,1,0]=4 2578 B10R1.5 CNCc1occc1OC 270004a_106832991635_200009856553 [0,1,0,0,1,0|1,1,0]=4 2579 B10R1.5 CNCc1sccc1OC 207a_100102657272_100000689126 [0,1,0,0,1,0|1,1,0]=4 2580 B10R1.5 CNCc1sccc1OC 270004a_106832991635_100000689126 [0,1,0,0,1,0|1,1,0]=4 2581 B10R1.5 CNCc1sccc1SC 62a_100000767120_200000210301 [0,1,0,0,1,0|1,0,0]=3 2582 B10R1.5 CNCc1sccc1SC 62a_200000210301_100000767120 [0,1,0,0,1,0|1,0,0]=3 2583 B10R1.5 CNCc1sccc1S[13CH3] 62a_100000767120_200025704644 [0,1,0,0,1,0|1,0,0]=3 2584 B10R1.5 CNCc1sccc1S[13CH3] 62a_200025704644_100000767120 [0,1,0,0,1,0|1,0,0]=3 2585 B10R1.5 COc1n[nH]cc1SCF 62a_100015361967_100010982843 [0,1,0,0,1,0|2,0,0]=4 2586 B10R1.5 CSc1sccc1SCF 62a_100015361967_200010341309 [0,1,0,0,1,0|2,0,0]=4 2587 B10R1.5 CSc1sccc1SCF 62a_200010341309_100015361967 [0,1,0,0,1,0|2,0,0]=4 2588 B10R1.5 NCc1ccsc1SCF 62a_100000727803_100015361967 [0,1,0,0,1,0|2,0,0]=4 2589 B10R1.5 NCc1ccsc1SCF 62a_100015361967_100000727803 [0,1,0,0,1,0|2,0,0]=4 2590 B10R1.5 OCc1ccsc1SCF 62a_100009816922_100015361967 [0,1,0,0,1,0|2,0,0]=4 2591 B10R1.5 OCc1ccsc1SCF 62a_100015361967_100009816922 [0,1,0,0,1,0|2,0,0]=4 2592 B10R1.5 OCc1sccc1SCF 62a_100000702026_100015361967 [0,1,0,0,1,0|2,0,0]=4 2593 B10R1.5 OCc1sccc1SCF 62a_100015361967_100000702026 [0,1,0,0,1,0|2,0,0]=4 2594 B10R1.5 OCc1scnc1SCF 62a_100012000948_100015361967 [0,1,0,0,1,0|2,0,0]=4 2595 B10R1.5 OCc1scnc1SCF 62a_100015361967_100012000948 [0,1,0,0,1,0|2,0,0]=4 2596 B10R1.32 CCc1nn(cc1SC)C 62a_100012396458_200000210301 [0,1,0,0,1,0|1,0,0]=3 2597 B10R1.32 CCc1nn(cc1SC)C 62a_200000210301_100012396458 [0,1,0,0,1,0|1,0,0]=3 2598 B10R1.32 CCc1nn(cc1S[13CH3])C 62a_100012396458_200025704644 [0,1,0,0,1,0|1,0,0]=3 2599 B10R1.32 CCc1nn(cc1S[13CH3])C 62a_200025704644_100012396458 [0,1,0,0,1,0|1,0,0]=3 2600 B10R1.32 COc1nn(cc1SC)C 62a_100015475556_200000210301 [0,1,0,0,1,0|2,0,0]=4 2601 B10R1.32 COc1nn(cc1SC)C 62a_200000210301_100015475556 [0,1,0,0,1,0|2,0,0]=4 2602 B10R1.32 COc1nn(cc1S[13CH3])C 62a_100015475556_200025704644 [0,1,0,0,1,0|2,0,0]=4 2603 B10R1.32 COc1nn(cc1S[13CH3])C 62a_200025704644_100015475556 [0,1,0,0,1,0|2,0,0]=4 2604 B10R1.32 CSc1cn(nc1CO)C 62a_100009816719_200000210301 [0,1,0,0,1,0|2,0,0]=4 2605 B10R1.32 CSc1cn(nc1CO)C 62a_200000210301_100009816719 [0,1,0,0,1,0|2,0,0]=4 2606 B10R1.32 CSc1sc(nc1CO)C 62a_100011103066_200000210301 [0,1,0,0,1,0|2,0,0]=4 2607 B10R1.32 CSc1sc(nc1CO)C 62a_200000210301_100011103066 [0,1,0,0,1,0|2,0,0]=4 2608 B10R1.32 Cc1nc(c(s1)S[13CH3])CO 62a_100011103066_200025704644 [0,1,0,0,1,0|2,0,0]=4 2609 B10R1.32 Cc1nc(c(s1)S[13CH3])CO 62a_200025704644_100011103066 [0,1,0,0,1,0|2,0,0]=4 2610 B10R1.32 Cn1cc(c(n1)CO)S[13CH3] 62a_100009816719_200025704644 [0,1,0,0,1,0|2,0,0]=4 2611 B10R1.32 Cn1cc(c(n1)CO)S[13CH3] 62a_200025704644_100009816719 [0,1,0,0,1,0|2,0,0]=4 2612 B10R1.39 C=C(C)c1ccnn1CC 271570a_100000694244_100000728327 [0,1,0,0,1,0|2,0,0]=4 2613 B10R1.39 C=C(C)c1ccsc1SC 271570a_100000694244_200010341309 [0,1,0,0,1,0|1,0,1]=4 2614 B10R1.39 C=C(C)c1nccn1CC 271570a_100000694244_100011617267 [0,1,0,0,1,0|2,0,0]=4 2615 B10R1.39 C=C(C)c1ncnn1CC 271570a_100000694244_100009879425 [0,1,0,0,1,0|2,0,0]=4 2616 B10R1.39 C=C(C)c1sccc1CC 271570a_100000694244_200009875468 [0,1,0,0,1,0|2,0,0]=4 2617 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,1,0,0,1,0|1,0,1]=4 2618 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [0,1,0,0,1,0|1,0,1]=4 2619 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [0,1,0,0,1,0|1,0,1]=4 2620 B10R1.39 CC(C)c1[nH]ncc1S[13CH3] 62a_100000690187_200025704644 [0,1,0,0,1,0|1,0,1]=4 2621 B10R1.39 CC(C)c1[nH]ncc1S[13CH3] 62a_200025704644_100000690187 [0,1,0,0,1,0|1,0,1]=4 2622 B10R1.39 CC(C)n1ccnc1S[13CH3] 62a_100009820211_200025704644 [0,1,0,0,1,0|1,0,0]=3 2623 B10R1.39 CC(C)n1ccnc1S[13CH3] 62a_200025704644_100009820211 [0,1,0,0,1,0|1,0,0]=3 2624 B10R1.39 CC(C)n1nccc1S[13CH3] 62a_100010264481_200025704644 [0,1,0,0,1,0|1,0,0]=3 2625 B10R1.39 CC(C)n1nccc1S[13CH3] 62a_200025704644_100010264481 [0,1,0,0,1,0|1,0,0]=3 2626 B10R1.39 CC(C)n1ncnc1S[13CH3] 62a_100009989917_200025704644 [0,1,0,0,1,0|1,0,0]=3 2627 B10R1.39 CC(C)n1ncnc1S[13CH3] 62a_200025704644_100009989917 [0,1,0,0,1,0|1,0,0]=3 2628 B10R1.39 CCn1ncnc1N(C)C 27a_100102631434_100009879425 [0,1,0,0,1,0|2,0,0]=4 2629 B10R1.39 CNc1ccnn1C(C)C 27a_100102657272_100010264481 [0,1,0,0,1,0|2,0,0]=4 2630 B10R1.39 CNc1ncnn1C(C)C 27a_100102657272_100009989917 [0,1,0,0,1,0|2,0,0]=4 2631 B10R1.39 CSc1ccnn1C(C)C 62a_100010264481_200000210301 [0,1,0,0,1,0|1,0,0]=3 2632 B10R1.39 CSc1ccnn1C(C)C 62a_200000210301_100010264481 [0,1,0,0,1,0|1,0,0]=3 2633 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,1,0,0,1,0|1,0,1]=4 2634 B10R1.39 CSc1ccsc1C(F)F 62a_100000733619_200000210301 [0,1,0,0,1,0|2,0,0]=4 2635 B10R1.39 CSc1ccsc1C(F)F 62a_200000210301_100000733619 [0,1,0,0,1,0|2,0,0]=4 2636 B10R1.39 CSc1cn[nH]c1C(C)C 62a_100000690187_200000210301 [0,1,0,0,1,0|1,0,1]=4 2637 B10R1.39 CSc1cn[nH]c1C(C)C 62a_200000210301_100000690187 [0,1,0,0,1,0|1,0,1]=4 2638 B10R1.39 CSc1nccn1C(C)C 62a_100009820211_200000210301 [0,1,0,0,1,0|1,0,0]=3 2639 B10R1.39 CSc1nccn1C(C)C 62a_200000210301_100009820211 [0,1,0,0,1,0|1,0,0]=3 2640 B10R1.39 CSc1ncnn1C(C)C 62a_100009989917_200000210301 [0,1,0,0,1,0|1,0,0]=3 2641 B10R1.39 CSc1ncnn1C(C)C 62a_200000210301_100009989917 [0,1,0,0,1,0|1,0,0]=3 2642 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [0,1,0,0,1,0|1,0,1]=4 2643 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [0,1,0,0,1,0|1,0,1]=4 2644 B10R1.39 [13CH3]Sc1ccsc1C(F)F 62a_100000733619_200025704644 [0,1,0,0,1,0|2,0,0]=4 2645 B10R1.39 [13CH3]Sc1ccsc1C(F)F 62a_200025704644_100000733619 [0,1,0,0,1,0|2,0,0]=4 2646 B10R1.257 CCc1c(cnn1C)SC 62a_200000210301_200010713286 [0,1,0,0,1,0|1,0,1]=4 2647 B10R1.257 CCc1c(cnn1C)SC 62a_200010713286_200000210301 [0,1,0,0,1,0|1,0,1]=4 2648 B10R1.257 CCc1c(cnn1C)S[13CH3] 62a_200010713286_200025704644 [0,1,0,0,1,0|1,0,1]=4 2649 B10R1.257 CCc1c(cnn1C)S[13CH3] 62a_200025704644_200010713286 [0,1,0,0,1,0|1,0,1]=4 2650 B12R1.46 C=C(C)c1cc(cnc1CC)N 271570a_100000694244_100013085292 [0,2,0,0,0,0|2,0,0]=4 2651 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_100000118324_200025704644 [0,2,0,0,0,0|1,0,1]=4 2652 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100000118324 [0,2,0,0,0,0|1,0,1]=4 2653 B12R1.46 CC(C)c1cc(ccc1S[13CH3])Br 62a_100010244561_200025704644 [0,2,0,0,0,0|2,0,0]=4 2654 B12R1.46 CC(C)c1cc(ccc1S[13CH3])Br 62a_200025704644_100010244561 [0,2,0,0,0,0|2,0,0]=4 2655 B12R1.46 CC(N)c1cc(ccc1S[13CH3])F 62a_100012343209_200025704644 [0,2,0,0,0,0|2,0,0]=4 2656 B12R1.46 CC(N)c1cc(ccc1S[13CH3])F 62a_200025704644_100012343209 [0,2,0,0,0,0|2,0,0]=4 2657 B12R1.46 CSc1ccc(cc1C(C)C)Br 62a_100010244561_200000210301 [0,2,0,0,0,0|2,0,0]=4 2658 B12R1.46 CSc1ccc(cc1C(C)C)Br 62a_200000210301_100010244561 [0,2,0,0,0,0|2,0,0]=4 2659 B12R1.46 CSc1ccc(cc1C(C)N)F 62a_100012343209_200000210301 [0,2,0,0,0,0|2,0,0]=4 2660 B12R1.46 CSc1ccc(cc1C(C)N)F 62a_200000210301_100012343209 [0,2,0,0,0,0|2,0,0]=4 2661 B12R1.46 CSc1ccc(cc1[C@H](C)O)F 62a_100134768474_200000210301 [0,2,0,0,0,0|2,0,0]=4 2662 B12R1.46 CSc1ccc(cc1[C@H](C)O)F 62a_200000210301_100134768474 [0,2,0,0,0,0|2,0,0]=4 2663 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_100000118324_200000210301 [0,2,0,0,0,0|1,0,1]=4 2664 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_200000210301_100000118324 [0,2,0,0,0,0|1,0,1]=4 2665 B12R1.46 C[C@H](O)c1cc(ccc1S[13CH3])F 62a_100134768474_200025704644 [0,2,0,0,0,0|2,0,0]=4 2666 B12R1.46 C[C@H](O)c1cc(ccc1S[13CH3])F 62a_200025704644_100134768474 [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.57 C=C(C)c1ncc(cc1SC)C 271570a_100000694244_100010884634 [0,2,0,0,0,0|1,0,1]=4 2668 B12R1.57 C=C(C)c1ncc(nc1OC)Br 271570a_100000694244_100010214903 [0,2,0,0,0,0|0,1,1]=4 2669 B12R1.57 C=C(C)c1ncc(nc1OC)N 271570a_100000694244_100010128448 [0,2,0,0,0,0|0,1,1]=4 2670 B12R1.57 C=Cc1nc(cnc1C(C)C)C 271570a_100011290941_100015629263 [0,2,0,0,0,0|1,0,1]=4 2671 B12R1.57 CN(C)c1ncc(cc1S[13CH3])N 62a_200012353320_200025704644 [0,2,0,0,0,0|2,0,0]=4 2672 B12R1.57 CN(C)c1ncc(cc1S[13CH3])N 62a_200025704644_200012353320 [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.57 CNc1nc(cnc1C(C)C)C 27a_100102657272_100015629263 [0,2,0,0,0,0|1,0,0]=3 2674 B12R1.57 CSc1cc(ccc1[C@@H](C)N)F 62a_100025704064_200000210301 [0,2,0,0,0,0|2,0,0]=4 2675 B12R1.57 CSc1cc(ccc1[C@@H](C)N)F 62a_200000210301_100025704064 [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.57 CSc1cc(cnc1N(C)C)C 27a_100102631434_100010884634 [0,2,0,0,0,0|2,0,0]=4 2677 B12R1.57 CSc1cc(cnc1N(C)C)N 62a_200000210301_200012353320 [0,2,0,0,0,0|2,0,0]=4 2678 B12R1.57 CSc1cc(cnc1N(C)C)N 62a_200012353320_200000210301 [0,2,0,0,0,0|2,0,0]=4 2679 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_100015629263_200000210301 [0,2,0,0,0,0|0,0,0]=2 2680 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_200000210301_100015629263 [0,2,0,0,0,0|0,0,0]=2 2681 B12R1.57 C[C@@H](N)c1ccc(cc1S[13CH3])F 62a_100025704064_200025704644 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.57 C[C@@H](N)c1ccc(cc1S[13CH3])F 62a_200025704644_100025704064 [0,2,0,0,0,0|2,0,0]=4 2683 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_100015629263_200025704644 [0,2,0,0,0,0|0,0,0]=2 2684 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_200025704644_100015629263 [0,2,0,0,0,0|0,0,0]=2 2685 B12R1.78 C=Cc1cnc(c(n1)OC)OC 271570a_100011290941_100010132954 [0,2,0,0,0,0|1,1,0]=4 2686 B12R1.78 CCc1cc(ccc1SC)C#N 62a_200000210301_100010115944 [0,2,0,0,0,0|2,0,0]=4 2687 B12R1.78 CCc1cc(ccc1SC)OC 62a_100000720562_200000210301 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.78 CCc1cc(ccc1SC)OC 62a_200000210301_100000720562 [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.78 CCc1cc(ccc1S[13CH3])C#N 62a_200025704644_100010115944 [0,2,0,0,0,0|2,0,0]=4 2690 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_100000720562_200025704644 [0,2,0,0,0,0|2,0,0]=4 2691 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_200025704644_100000720562 [0,2,0,0,0,0|2,0,0]=4 2692 B12R1.78 COc1cc(cnc1SC)C#N 62a_200000210301_200009864118 [0,2,0,0,0,0|2,0,0]=4 2693 B12R1.78 COc1cc(cnc1S[13CH3])C#N 62a_200025704644_200009864118 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.78 COc1ccc(c(n1)CO)SC 62a_100010069746_200000210301 [0,2,0,0,0,0|2,0,0]=4 2695 B12R1.78 COc1ccc(c(n1)CO)SC 62a_200000210301_100010069746 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.78 COc1ccc(c(n1)CO)S[13CH3] 62a_100010069746_200025704644 [0,2,0,0,0,0|2,0,0]=4 2697 B12R1.78 COc1ccc(c(n1)CO)S[13CH3] 62a_200025704644_100010069746 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.78 COc1ccc(c(n1)OC)SC 62a_100009816055_200000210301 [0,2,0,0,0,0|2,0,0]=4 2699 B12R1.78 COc1ccc(c(n1)OC)SC 62a_200000210301_100009816055 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.78 COc1ccc(c(n1)OC)S[13CH3] 62a_100009816055_200025704644 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.78 COc1ccc(c(n1)OC)S[13CH3] 62a_200025704644_100009816055 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.78 COc1ccc(c(n1)SC)CO 62a_100009885603_200000210301 [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.78 COc1ccc(c(n1)SC)CO 62a_200000210301_100009885603 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.78 COc1ccc(c(n1)S[13CH3])CO 62a_100009885603_200025704644 [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.78 COc1ccc(c(n1)S[13CH3])CO 62a_200025704644_100009885603 [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.78 COc1ccc(nc1SC)CO 62a_100009842956_200000210301 [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.78 COc1ccc(nc1SC)CO 62a_200000210301_100009842956 [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [0,2,0,0,0,0|2,0,0]=4 2711 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [0,2,0,0,0,0|2,0,0]=4 2712 B12R1.78 COc1ccc(nc1S[13CH3])CO 62a_100009842956_200025704644 [0,2,0,0,0,0|2,0,0]=4 2713 B12R1.78 COc1ccc(nc1S[13CH3])CO 62a_200025704644_100009842956 [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [0,2,0,0,0,0|2,0,0]=4 2715 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [0,2,0,0,0,0|2,0,0]=4 2716 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [0,2,0,0,0,0|2,0,0]=4 2717 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [0,2,0,0,0,0|2,0,0]=4 2718 B12R1.78 COc1ncc(nc1OC)SC 62a_100010132954_200000210301 [0,2,0,0,0,0|1,1,0]=4 2719 B12R1.78 COc1ncc(nc1OC)SC 62a_200000210301_100010132954 [0,2,0,0,0,0|1,1,0]=4 2720 B12R1.78 COc1ncc(nc1OC)S[13CH3] 62a_100010132954_200025704644 [0,2,0,0,0,0|1,1,0]=4 2721 B12R1.78 COc1ncc(nc1OC)S[13CH3] 62a_200025704644_100010132954 [0,2,0,0,0,0|1,1,0]=4 2722 B12R1.112 CC=Cc1ncc(cc1SC)C 271570a_100016259895_100010884634 [0,2,0,0,0,0|1,0,1]=4 2723 B12R1.112 CC=Cc1ncc(nc1OC)Br 271570a_100016259895_100010214903 [0,2,0,0,0,0|0,1,1]=4 2724 B12R1.112 CC=Cc1ncc(nc1OC)N 271570a_100016259895_100010128448 [0,2,0,0,0,0|0,1,1]=4 2725 B12R1.112 CCCc1cnc(nc1SC)C 62a_200000069602_200000210301 [0,2,0,0,0,0|2,0,0]=4 2726 B12R1.112 CCCc1cnc(nc1SC)C 62a_200000210301_200000069602 [0,2,0,0,0,0|2,0,0]=4 2727 B12R1.112 CCCc1cnc(nc1S[13CH3])C 62a_200000069602_200025704644 [0,2,0,0,0,0|2,0,0]=4 2728 B12R1.112 CCCc1cnc(nc1S[13CH3])C 62a_200025704644_200000069602 [0,2,0,0,0,0|2,0,0]=4 2729 B12R1.112 CCNc1ncc(cc1SC)C 27a_100015525214_100010884634 [0,2,0,0,0,0|1,0,0]=3 2730 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000210301_200000230997 [0,2,0,0,0,0|2,0,0]=4 2731 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000230997_200000210301 [0,2,0,0,0,0|2,0,0]=4 2732 B12R1.112 CCOc1ccc(cc1SC)F 62a_100000171695_200000210301 [0,2,0,0,0,0|2,0,0]=4 2733 B12R1.112 CCOc1ccc(cc1SC)F 62a_200000210301_100000171695 [0,2,0,0,0,0|2,0,0]=4 2734 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200000230997_200025704644 [0,2,0,0,0,0|2,0,0]=4 2735 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200025704644_200000230997 [0,2,0,0,0,0|2,0,0]=4 2736 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_100000171695_200025704644 [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_200025704644_100000171695 [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.112 CCOc1ccc(nc1CC)C 34a_100000718140_100000210202 [0,2,0,0,0,0|1,1,0]=4 2739 B12R1.112 CCOc1ccc(nc1CC)C 7a_100000718140_100000210202 [0,2,0,0,0,0|1,1,0]=4 2740 B12R1.112 CCOc1ccc(nc1OC)Br 34a_100010893133_100000210202 [0,2,0,0,0,0|1,1,0]=4 2741 B12R1.112 CCOc1ncc(cc1OC)Cl 34a_200009845368_100000210202 [0,2,0,0,0,0|1,1,0]=4 2742 B12R1.112 CCOc1ncc(cc1OC)O 271570a_203496583355_200010116856 [0,2,0,0,0,0|1,1,0]=4 2743 B12R1.112 CCOc1ncc(cc1SC)Br 62a_200000210301_200010177599 [0,2,0,0,0,0|1,0,0]=3 2744 B12R1.112 CCOc1ncc(cc1SC)Br 62a_200010177599_200000210301 [0,2,0,0,0,0|1,0,0]=3 2745 B12R1.112 CCOc1ncc(cc1S[13CH3])Br 62a_200010177599_200025704644 [0,2,0,0,0,0|1,0,0]=3 2746 B12R1.112 CCOc1ncc(cc1S[13CH3])Br 62a_200025704644_200010177599 [0,2,0,0,0,0|1,0,0]=3 2747 B12R1.112 CCSc1ccc(cc1CC)Br 62a_100000210202_100011216195 [0,2,0,0,0,0|2,0,0]=4 2748 B12R1.112 CCSc1ccc(cc1CC)Br 62a_100011216195_100000210202 [0,2,0,0,0,0|2,0,0]=4 2749 B12R1.112 CCSc1ccc(cc1CC)N 62a_100000210202_100010109747 [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.112 CCSc1ccc(cc1CC)N 62a_100010109747_100000210202 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.112 CCSc1ccc(cc1SC)C 62a_100000210202_200010709736 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.112 CCSc1ccc(cc1SC)C 62a_200010709736_100000210202 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.112 CCSc1ccc(nc1CO)C 62a_100000210202_100010074375 [0,2,0,0,0,0|2,0,0]=4 2754 B12R1.112 CCSc1ccc(nc1CO)C 62a_100010074375_100000210202 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.112 CCSc1ccc(nc1CO)F 62a_100000210202_100000701195 [0,2,0,0,0,0|2,0,0]=4 2756 B12R1.112 CCSc1ccc(nc1CO)F 62a_100000701195_100000210202 [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.112 CCSc1ccc(nc1OC)C 62a_100000210202_100010138632 [0,2,0,0,0,0|1,1,0]=4 2758 B12R1.112 CCSc1ccc(nc1OC)C 62a_100010138632_100000210202 [0,2,0,0,0,0|1,1,0]=4 2759 B12R1.112 CCSc1ccc(nc1OC)N 62a_100000210202_100010187630 [0,2,0,0,0,0|1,1,0]=4 2760 B12R1.112 CCSc1ccc(nc1OC)N 62a_100010187630_100000210202 [0,2,0,0,0,0|1,1,0]=4 2761 B12R1.112 CCSc1ncc(cc1CN)F 62a_100000210202_100010760786 [0,2,0,0,0,0|2,0,0]=4 2762 B12R1.112 CCSc1ncc(cc1CN)F 62a_100010760786_100000210202 [0,2,0,0,0,0|2,0,0]=4 2763 B12R1.112 CCSc1ncc(cc1CO)C 62a_100000118064_100000210202 [0,2,0,0,0,0|2,0,0]=4 2764 B12R1.112 CCSc1ncc(cc1CO)C 62a_100000210202_100000118064 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.112 CCSc1ncc(cc1CO)F 62a_100000079972_100000210202 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.112 CCSc1ncc(cc1CO)F 62a_100000210202_100000079972 [0,2,0,0,0,0|2,0,0]=4 2767 B12R1.112 CCSc1ncc(cc1OC)C 62a_100000210202_200000118316 [0,2,0,0,0,0|1,1,0]=4 2768 B12R1.112 CCSc1ncc(cc1OC)F 62a_100000210202_100009867738 [0,2,0,0,0,0|1,1,0]=4 2769 B12R1.112 CCSc1ncc(cc1OC)F 62a_100010136273_100000210202 [0,2,0,0,0,0|1,1,0]=4 2770 B12R1.112 CCSc1ncc(cc1OC)N 62a_100000210202_100000097218 [0,2,0,0,0,0|1,1,0]=4 2771 B12R1.112 CCSc1ncc(cc1OC)N 62a_200010291755_100000210202 [0,2,0,0,0,0|1,1,0]=4 2772 B12R1.112 CCSc1ncc(cc1SC)C 62a_100000210202_100010884634 [0,2,0,0,0,0|1,0,0]=3 2773 B12R1.112 CCSc1ncc(cc1SC)C 62a_100010884634_100000210202 [0,2,0,0,0,0|1,0,0]=3 2774 B12R1.112 CCSc1ncc(nc1OC)Br 62a_100000210202_100010214903 [0,2,0,0,0,0|0,1,0]=3 2775 B12R1.112 CCSc1ncc(nc1OC)Br 62a_100010214903_100000210202 [0,2,0,0,0,0|0,1,0]=3 2776 B12R1.112 CCSc1ncc(nc1OC)N 62a_100000210202_100010128448 [0,2,0,0,0,0|0,1,0]=3 2777 B12R1.112 CCSc1ncc(nc1OC)N 62a_100010128448_100000210202 [0,2,0,0,0,0|0,1,0]=3 2778 B12R1.112 CCc1cc(ccc1SCF)Br 62a_100011216195_100015361967 [0,2,0,0,0,0|2,0,0]=4 2779 B12R1.112 CCc1cc(ccc1SCF)Br 62a_100015361967_100011216195 [0,2,0,0,0,0|2,0,0]=4 2780 B12R1.112 CCc1cc(ccc1SCF)N 62a_100010109747_100015361967 [0,2,0,0,0,0|2,0,0]=4 2781 B12R1.112 CCc1cc(ccc1SCF)N 62a_100015361967_100010109747 [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.112 CCc1nc(ccc1OCF)C 34a_100000718140_100015361967 [0,2,0,0,0,0|1,1,0]=4 2783 B12R1.112 CCc1nc(ccc1OCF)C 7a_100000718140_100015361967 [0,2,0,0,0,0|1,1,0]=4 2784 B12R1.112 CNCc1ccc(cc1SC)F 62a_200000210301_200011192132 [0,2,0,0,0,0|2,0,0]=4 2785 B12R1.112 CNCc1ccc(cc1SC)F 62a_200011192132_200000210301 [0,2,0,0,0,0|2,0,0]=4 2786 B12R1.112 CNCc1ccc(cc1S[13CH3])F 62a_200011192132_200025704644 [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.112 CNCc1ccc(cc1S[13CH3])F 62a_200025704644_200011192132 [0,2,0,0,0,0|2,0,0]=4 2788 B12R1.112 CNCc1ccc(nc1OC)Br 2230a_106832991635_100016029037 [0,2,0,0,0,0|1,1,0]=4 2789 B12R1.112 CNCc1ccc(nc1OC)Br 34a_100102657272_100016029037 [0,2,0,0,0,0|1,1,0]=4 2790 B12R1.112 CNCc1ccc(nc1OC)Br 7a_106832991635_100016029037 [0,2,0,0,0,0|1,1,0]=4 2791 B12R1.112 CNCc1ccc(nc1OC)Cl 2230a_100015687481_200000210301 [0,2,0,0,0,0|1,1,0]=4 2792 B12R1.112 CNCc1ccc(nc1OC)Cl 34a_100015687481_200000210301 [0,2,0,0,0,0|1,1,0]=4 2793 B12R1.112 CNCc1ncc(cc1OC)Br 207a_100102657272_100010246152 [0,2,0,0,0,0|1,1,0]=4 2794 B12R1.112 CNCc1ncc(cc1OC)Br 270004a_106832991635_100010246152 [0,2,0,0,0,0|1,1,0]=4 2795 B12R1.112 COCc1ccc(nc1OC)Br 34a_100010988397_200000210301 [0,2,0,0,0,0|1,1,0]=4 2796 B12R1.112 COCc1ccc(nc1OC)Br 34a_100138415774_100016029037 [0,2,0,0,0,0|1,1,0]=4 2797 B12R1.112 COCc1ccc(nc1OC)Cl 34a_200009869906_200000210301 [0,2,0,0,0,0|1,1,0]=4 2798 B12R1.112 COCc1ncc(cc1OC)Br 34a_200010246159_200000210301 [0,2,0,0,0,0|1,1,0]=4 2799 B12R1.112 COCc1ncc(cc1OC)Br 7a_200010246159_200000210301 [0,2,0,0,0,0|1,1,0]=4 2800 B12R1.112 COc1cc(cnc1CO[13CH3])Br 34a_200010246159_200025704644 [0,2,0,0,0,0|1,1,0]=4 2801 B12R1.112 COc1cc(cnc1CO[13CH3])Br 7a_200010246159_200025704644 [0,2,0,0,0,0|1,1,0]=4 2802 B12R1.112 COc1cc(cnc1SCF)C 62a_100015361967_200000118316 [0,2,0,0,0,0|2,0,0]=4 2803 B12R1.112 COc1cc(cnc1SCF)F 62a_100010136273_100015361967 [0,2,0,0,0,0|2,0,0]=4 2804 B12R1.112 COc1cc(cnc1SCF)F 62a_100015361967_100009867738 [0,2,0,0,0,0|2,0,0]=4 2805 B12R1.112 COc1cc(cnc1SCF)N 62a_100015361967_100000097218 [0,2,0,0,0,0|2,0,0]=4 2806 B12R1.112 COc1cc(cnc1SCF)N 62a_200010291755_100015361967 [0,2,0,0,0,0|2,0,0]=4 2807 B12R1.112 COc1nc(ccc1CN[13CH3])Cl 2230a_100015687481_200025704644 [0,2,0,0,0,0|1,1,0]=4 2808 B12R1.112 COc1nc(ccc1CN[13CH3])Cl 34a_100015687481_200025704644 [0,2,0,0,0,0|1,1,0]=4 2809 B12R1.112 COc1nc(ccc1CO[13CH3])Br 34a_100010988397_200025704644 [0,2,0,0,0,0|1,1,0]=4 2810 B12R1.112 COc1nc(ccc1CO[13CH3])Cl 34a_200009869906_200025704644 [0,2,0,0,0,0|1,1,0]=4 2811 B12R1.112 COc1nc(ccc1CSC)Br 62a_100016029037_200000210301 [0,2,0,0,0,0|1,1,0]=4 2812 B12R1.112 COc1nc(ccc1CSC)Br 62a_200000210301_100016029037 [0,2,0,0,0,0|1,1,0]=4 2813 B12R1.112 COc1nc(ccc1CS[13CH3])Br 62a_100016029037_200025704644 [0,2,0,0,0,0|1,1,0]=4 2814 B12R1.112 COc1nc(ccc1CS[13CH3])Br 62a_200025704644_100016029037 [0,2,0,0,0,0|1,1,0]=4 2815 B12R1.112 COc1nc(ccc1SCF)C 62a_100010138632_100015361967 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.112 COc1nc(ccc1SCF)C 62a_100015361967_100010138632 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.112 COc1nc(ccc1SCF)N 62a_100010187630_100015361967 [0,2,0,0,0,0|2,0,0]=4 2818 B12R1.112 COc1nc(ccc1SCF)N 62a_100015361967_100010187630 [0,2,0,0,0,0|2,0,0]=4 2819 B12R1.112 COc1nc(cnc1SCF)Br 62a_100010214903_100015361967 [0,2,0,0,0,0|1,0,0]=3 2820 B12R1.112 COc1nc(cnc1SCF)Br 62a_100015361967_100010214903 [0,2,0,0,0,0|1,0,0]=3 2821 B12R1.112 COc1nc(cnc1SCF)N 62a_100010128448_100015361967 [0,2,0,0,0,0|1,0,0]=3 2822 B12R1.112 COc1nc(cnc1SCF)N 62a_100015361967_100010128448 [0,2,0,0,0,0|1,0,0]=3 2823 B12R1.112 CSc1cc(cnc1SCF)C 62a_100010884634_100015361967 [0,2,0,0,0,0|2,0,0]=4 2824 B12R1.112 CSc1cc(cnc1SCF)C 62a_100015361967_100010884634 [0,2,0,0,0,0|2,0,0]=4 2825 B12R1.112 Cc1ccc(c(n1)CO)SCF 62a_100010074375_100015361967 [0,2,0,0,0,0|2,0,0]=4 2826 B12R1.112 Cc1ccc(c(n1)CO)SCF 62a_100015361967_100010074375 [0,2,0,0,0,0|2,0,0]=4 2827 B12R1.112 Cc1cnc(c(c1)CO)SCF 62a_100000118064_100015361967 [0,2,0,0,0,0|2,0,0]=4 2828 B12R1.112 Cc1cnc(c(c1)CO)SCF 62a_100015361967_100000118064 [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.112 NCc1cc(cnc1SCF)F 62a_100010760786_100015361967 [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.112 NCc1cc(cnc1SCF)F 62a_100015361967_100010760786 [0,2,0,0,0,0|2,0,0]=4 2831 B12R1.112 OCc1cc(cnc1SCF)F 62a_100000079972_100015361967 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.112 OCc1cc(cnc1SCF)F 62a_100015361967_100000079972 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.112 OCc1nc(ccc1SCF)F 62a_100000701195_100015361967 [0,2,0,0,0,0|2,0,0]=4 2834 B12R1.112 OCc1nc(ccc1SCF)F 62a_100015361967_100000701195 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.234 CCc1nc(nc(c1SC)N)N 62a_200010243779_200000210301 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.234 CCc1nc(nc(c1S[13CH3])N)N 62a_200010243779_200025704644 [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.268 CC=Cc1cc(cnc1CC)N 271570a_100016259895_100013085292 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.268 CCNc1cc(ccc1SC)Cl 34a_100000745667_100000210202 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.268 CCNc1nc(cnc1C#N)N 27a_100015525214_100000099870 [0,2,0,0,0,0|2,0,0]=4 2840 B12R1.268 CCOc1cc(ccc1SC)C 62a_200000210301_200010713166 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.268 CCOc1cc(ccc1SC)C 62a_200010713166_200000210301 [0,2,0,0,0,0|2,0,0]=4 2842 B12R1.268 CCOc1cc(ccc1SC)F 62a_200000210301_200012340411 [0,2,0,0,0,0|2,0,0]=4 2843 B12R1.268 CCOc1cc(ccc1SC)F 62a_200012340411_200000210301 [0,2,0,0,0,0|2,0,0]=4 2844 B12R1.268 CCOc1cc(ccc1SC)N 62a_200000210301_200016990551 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.268 CCOc1cc(ccc1SC)N 62a_200016990551_200000210301 [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200010713166_200025704644 [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200025704644_200010713166 [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200012340411_200025704644 [0,2,0,0,0,0|2,0,0]=4 2849 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012340411 [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200016990551_200025704644 [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200025704644_200016990551 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.268 CCOc1cc(cnc1OC)Br 34a_100010135713_100000210202 [0,2,0,0,0,0|1,1,0]=4 2853 B12R1.268 CCSc1cc(ccc1SC)C 62a_100000210202_200010201864 [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.268 CCSc1cc(ccc1SC)C 62a_200010201864_100000210202 [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.268 CCSc1cc(ccc1SC)F 62a_100000210202_100009817003 [0,2,0,0,0,0|2,0,0]=4 2856 B12R1.268 CCSc1cc(ccc1SC)F 62a_100009817003_100000210202 [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.268 CCSc1cc(cnc1CC)N 62a_100000210202_100013085292 [0,2,0,0,0,0|1,0,0]=3 2858 B12R1.268 CCSc1cc(cnc1CC)N 62a_100013085292_100000210202 [0,2,0,0,0,0|1,0,0]=3 2859 B12R1.268 CCSc1cc(cnc1OC)Br 62a_100000210202_100009814608 [0,2,0,0,0,0|1,1,0]=4 2860 B12R1.268 CCSc1cc(cnc1OC)Br 62a_100009814608_100000210202 [0,2,0,0,0,0|1,1,0]=4 2861 B12R1.268 CCSc1cc(cnc1OC)C 62a_100000210202_100012353929 [0,2,0,0,0,0|1,1,0]=4 2862 B12R1.268 CCSc1cc(cnc1OC)C 62a_100012353929_100000210202 [0,2,0,0,0,0|1,1,0]=4 2863 B12R1.268 CCSc1cc(cnc1OC)F 62a_100000210202_100009828472 [0,2,0,0,0,0|1,1,0]=4 2864 B12R1.268 CCSc1cc(cnc1OC)F 62a_100009828472_100000210202 [0,2,0,0,0,0|1,1,0]=4 2865 B12R1.268 CCSc1cc(cnc1OC)N 62a_100000210202_100012351452 [0,2,0,0,0,0|1,1,0]=4 2866 B12R1.268 CCSc1cc(cnc1OC)N 62a_100012351452_100000210202 [0,2,0,0,0,0|1,1,0]=4 2867 B12R1.268 CCSc1nc(ccc1CO)C 62a_100000210202_102495338573 [0,2,0,0,0,0|2,0,0]=4 2868 B12R1.268 CCSc1nc(ccc1CO)C 62a_102495338573_100000210202 [0,2,0,0,0,0|2,0,0]=4 2869 B12R1.268 CCSc1nc(ccc1OC)C 62a_100000210202_100009820875 [0,2,0,0,0,0|1,1,0]=4 2870 B12R1.268 CCSc1nc(ccc1OC)C 62a_100009820875_100000210202 [0,2,0,0,0,0|1,1,0]=4 2871 B12R1.268 CCSc1nc(ccc1OC)N 62a_100000210202_100010172607 [0,2,0,0,0,0|1,1,0]=4 2872 B12R1.268 CCSc1nc(ccc1OC)N 62a_100010172607_100000210202 [0,2,0,0,0,0|1,1,0]=4 2873 B12R1.268 CCSc1nc(cnc1C#N)N 62a_100000210202_100000099870 [0,2,0,0,0,0|1,0,1]=4 2874 B12R1.268 CCSc1nc(ncc1CC)C 62a_100000210202_200000069817 [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.268 CCSc1nc(ncc1CC)C 62a_200000069817_100000210202 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.268 CCc1cnc(nc1SCF)C 62a_100015361967_200000069817 [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.268 CCc1cnc(nc1SCF)C 62a_200000069817_100015361967 [0,2,0,0,0,0|2,0,0]=4 2878 B12R1.268 CCc1ncc(cc1SCF)N 62a_100013085292_100015361967 [0,2,0,0,0,0|1,0,0]=3 2879 B12R1.268 CCc1ncc(cc1SCF)N 62a_100015361967_100013085292 [0,2,0,0,0,0|1,0,0]=3 2880 B12R1.268 CNCc1cc(cnc1OC)Br 207a_100102657272_100009814609 [0,2,0,0,0,0|1,1,0]=4 2881 B12R1.268 CNCc1cc(cnc1OC)Br 2230a_106832991635_100010065838 [0,2,0,0,0,0|1,1,0]=4 2882 B12R1.268 CNCc1cc(cnc1OC)Br 270004a_106832991635_100009814609 [0,2,0,0,0,0|1,1,0]=4 2883 B12R1.268 CNCc1cc(cnc1OC)Br 34a_100102657272_100010065838 [0,2,0,0,0,0|1,1,0]=4 2884 B12R1.268 CNCc1cc(cnc1OC)Br 7a_106832991635_100010065838 [0,2,0,0,0,0|1,1,0]=4 2885 B12R1.268 CNCc1cc(cnc1OC)C 207a_100102657272_100000118322 [0,2,0,0,0,0|1,1,0]=4 2886 B12R1.268 CNCc1cc(cnc1OC)C 270004a_106832991635_100000118322 [0,2,0,0,0,0|1,1,0]=4 2887 B12R1.268 CNCc1cc(cnc1OC)F 207a_100102657272_100000081817 [0,2,0,0,0,0|1,1,0]=4 2888 B12R1.268 CNCc1cc(cnc1OC)F 270004a_106832991635_100000081817 [0,2,0,0,0,0|1,1,0]=4 2889 B12R1.268 CNCc1nc(ccc1OC)Br 270004a_106832991635_200010137984 [0,2,0,0,0,0|1,1,0]=4 2890 B12R1.268 COCc1cc(cnc1OC)Br 34a_100000695684_200000210301 [0,2,0,0,0,0|1,1,0]=4 2891 B12R1.268 COCc1cc(cnc1OC)Br 34a_100138415774_100010065838 [0,2,0,0,0,0|1,1,0]=4 2892 B12R1.268 COCc1cc(cnc1OC)F 34a_100011997213_200000210301 [0,2,0,0,0,0|1,1,0]=4 2893 B12R1.268 COc1ccc(nc1SCF)C 62a_100009820875_100015361967 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.268 COc1ccc(nc1SCF)C 62a_100015361967_100009820875 [0,2,0,0,0,0|2,0,0]=4 2895 B12R1.268 COc1ccc(nc1SCF)N 62a_100010172607_100015361967 [0,2,0,0,0,0|2,0,0]=4 2896 B12R1.268 COc1ccc(nc1SCF)N 62a_100015361967_100010172607 [0,2,0,0,0,0|2,0,0]=4 2897 B12R1.268 COc1ncc(cc1CO[13CH3])Br 34a_100000695684_200025704644 [0,2,0,0,0,0|1,1,0]=4 2898 B12R1.268 COc1ncc(cc1CO[13CH3])F 34a_100011997213_200025704644 [0,2,0,0,0,0|1,1,0]=4 2899 B12R1.268 COc1ncc(cc1CSC)Br 62a_100010065838_200000210301 [0,2,0,0,0,0|1,1,0]=4 2900 B12R1.268 COc1ncc(cc1CSC)Br 62a_200000210301_100010065838 [0,2,0,0,0,0|1,1,0]=4 2901 B12R1.268 COc1ncc(cc1CS[13CH3])Br 62a_100010065838_200025704644 [0,2,0,0,0,0|1,1,0]=4 2902 B12R1.268 COc1ncc(cc1CS[13CH3])Br 62a_200025704644_100010065838 [0,2,0,0,0,0|1,1,0]=4 2903 B12R1.268 COc1ncc(cc1SCF)Br 62a_100009814608_100015361967 [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.268 COc1ncc(cc1SCF)Br 62a_100015361967_100009814608 [0,2,0,0,0,0|2,0,0]=4 2905 B12R1.268 COc1ncc(cc1SCF)C 62a_100012353929_100015361967 [0,2,0,0,0,0|2,0,0]=4 2906 B12R1.268 COc1ncc(cc1SCF)C 62a_100015361967_100012353929 [0,2,0,0,0,0|2,0,0]=4 2907 B12R1.268 COc1ncc(cc1SCF)F 62a_100009828472_100015361967 [0,2,0,0,0,0|2,0,0]=4 2908 B12R1.268 COc1ncc(cc1SCF)F 62a_100015361967_100009828472 [0,2,0,0,0,0|2,0,0]=4 2909 B12R1.268 COc1ncc(cc1SCF)N 62a_100012351452_100015361967 [0,2,0,0,0,0|2,0,0]=4 2910 B12R1.268 COc1ncc(cc1SCF)N 62a_100015361967_100012351452 [0,2,0,0,0,0|2,0,0]=4 2911 B12R1.268 Cc1ccc(c(n1)SCF)CO 62a_100015361967_102495338573 [0,2,0,0,0,0|2,0,0]=4 2912 B12R1.268 Cc1ccc(c(n1)SCF)CO 62a_102495338573_100015361967 [0,2,0,0,0,0|2,0,0]=4 2913 B12R1.268 N#Cc1ncc(nc1SCF)N 62a_100015361967_100000099870 [0,2,0,0,0,0|1,0,1]=4 2914 B12R1.448 CCc1cc(c(cc1SC)F)O 62a_100011156610_200000210301 [0,2,0,0,0,0|2,0,0]=4 2915 B12R1.448 CCc1cc(c(cc1SC)F)O 62a_200000210301_100011156610 [0,2,0,0,0,0|2,0,0]=4 2916 B12R1.448 CCc1cc(c(cc1S[13CH3])F)O 62a_100011156610_200025704644 [0,2,0,0,0,0|2,0,0]=4 2917 B12R1.448 CCc1cc(c(cc1S[13CH3])F)O 62a_200025704644_100011156610 [0,2,0,0,0,0|2,0,0]=4 2918 B12R1.75 CC(=Cc1nccnc1CN)C 271570a_100102525489_100000729963 [0,2,0,0,0,0|2,0,0]=4 2919 B12R1.75 CC(=Cc1nccnc1CO)C 271570a_100102525489_100000057004 [0,2,0,0,0,0|2,0,0]=4 2920 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,2,0,0,0,0|2,0,0]=4 2921 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,2,0,0,0,0|2,0,0]=4 2922 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,2,0,0,0,0|1,0,1]=4 2923 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,2,0,0,0,0|1,0,1]=4 2924 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_100000219599_200025704644 [0,2,0,0,0,0|2,0,0]=4 2925 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_200025704644_100000219599 [0,2,0,0,0,0|2,0,0]=4 2926 B12R1.75 CC(C)Nc1nccnc1C#N 27a_100138425928_100000040484 [0,2,0,0,0,0|2,0,0]=4 2927 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,2,0,0,0,0|2,0,0]=4 2928 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,2,0,0,0,0|2,0,0]=4 2929 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200011465186_200025704644 [0,2,0,0,0,0|1,0,0]=3 2930 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200025704644_200011465186 [0,2,0,0,0,0|1,0,0]=3 2931 B12R1.75 CC(C)Sc1cccnc1CN 62a_100000210206_100020591323 [0,2,0,0,0,0|2,0,0]=4 2932 B12R1.75 CC(C)Sc1cccnc1CN 62a_100020591323_100000210206 [0,2,0,0,0,0|2,0,0]=4 2933 B12R1.75 CC(C)Sc1cccnc1CO 62a_100000210206_100011996772 [0,2,0,0,0,0|2,0,0]=4 2934 B12R1.75 CC(C)Sc1cccnc1CO 62a_100011996772_100000210206 [0,2,0,0,0,0|2,0,0]=4 2935 B12R1.75 CC(C)Sc1ncccc1CN 62a_100000210206_100015189234 [0,2,0,0,0,0|2,0,0]=4 2936 B12R1.75 CC(C)Sc1ncccc1CN 62a_100015189234_100000210206 [0,2,0,0,0,0|2,0,0]=4 2937 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000210206_100000748726 [0,2,0,0,0,0|2,0,0]=4 2938 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000748726_100000210206 [0,2,0,0,0,0|2,0,0]=4 2939 B12R1.75 CC(C)Sc1nccnc1C#N 62a_100000210206_100000040484 [0,2,0,0,0,0|1,0,1]=4 2940 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000051000_100000210206 [0,2,0,0,0,0|1,0,1]=4 2941 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000210206_100000051000 [0,2,0,0,0,0|1,0,1]=4 2942 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000210206_100000729963 [0,2,0,0,0,0|1,0,0]=3 2943 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000729963_100000210206 [0,2,0,0,0,0|1,0,0]=3 2944 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000057004_100000210206 [0,2,0,0,0,0|1,0,0]=3 2945 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000210206_100000057004 [0,2,0,0,0,0|1,0,0]=3 2946 B12R1.75 CC(C)Sc1nccnc1NN 62a_100000210206_100000755098 [0,2,0,0,0,0|2,0,0]=4 2947 B12R1.75 CCc1ccccc1SC(C)C 62a_100000210206_100011215823 [0,2,0,0,0,0|2,0,0]=4 2948 B12R1.75 CCc1ccccc1SC(C)C 62a_100011215823_100000210206 [0,2,0,0,0,0|2,0,0]=4 2949 B12R1.75 CCc1cncnc1SC(C)C 62a_100000210206_200000100055 [0,2,0,0,0,0|2,0,0]=4 2950 B12R1.75 CCc1cncnc1SC(C)C 62a_200000100055_100000210206 [0,2,0,0,0,0|2,0,0]=4 2951 B12R1.75 CCc1ncccc1C=C(C)C 271570a_100102525489_100009877225 [0,2,0,0,0,0|2,0,0]=4 2952 B12R1.75 CCc1ncccc1SC(C)C 62a_100000210206_100009877225 [0,2,0,0,0,0|1,0,0]=3 2953 B12R1.75 CCc1ncccc1SC(C)C 62a_100009877225_100000210206 [0,2,0,0,0,0|1,0,0]=3 2954 B12R1.75 CCc1nccnc1C=C(C)C 271570a_100102525489_100011995844 [0,2,0,0,0,0|1,0,0]=3 2955 B12R1.75 CCc1nccnc1NC(C)C 27a_100138425928_100011995844 [0,2,0,0,0,0|1,0,0]=3 2956 B12R1.75 CCc1nccnc1SC(C)C 62a_100000210206_100011995844 [0,2,0,0,0,0|0,0,0]=2 2957 B12R1.75 CCc1nccnc1SC(C)C 62a_100011995844_100000210206 [0,2,0,0,0,0|0,0,0]=2 2958 B12R1.75 CCc1ncncc1SC(C)C 62a_100000210206_100009816992 [0,2,0,0,0,0|2,0,0]=4 2959 B12R1.75 CCc1ncncc1SC(C)C 62a_100009816992_100000210206 [0,2,0,0,0,0|2,0,0]=4 2960 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_100000174758_200025704644 [0,2,0,0,0,0|2,0,0]=4 2961 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_200025704644_100000174758 [0,2,0,0,0,0|2,0,0]=4 2962 B12R1.75 CNc1cccnc1SC(C)C 62a_100000210206_200011806188 [0,2,0,0,0,0|2,0,0]=4 2963 B12R1.75 CNc1ncccc1SC(C)C 62a_100000210206_100000700899 [0,2,0,0,0,0|2,0,0]=4 2964 B12R1.75 CNc1ncccc1SC(C)C 62a_100000700899_100000210206 [0,2,0,0,0,0|2,0,0]=4 2965 B12R1.75 CNc1nccnc1C=C(C)C 271570a_100102525489_100011529439 [0,2,0,0,0,0|1,0,1]=4 2966 B12R1.75 CNc1nccnc1SC(C)C 62a_100000210206_100011529439 [0,2,0,0,0,0|1,0,0]=3 2967 B12R1.75 COc1cccnc1CN(C)C 270004a_100102631434_100011912573 [0,2,0,0,0,0|1,1,0]=4 2968 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [0,2,0,0,0,0|1,1,0]=4 2969 B12R1.75 COc1cccnc1SC(C)C 62a_100000210206_100000690851 [0,2,0,0,0,0|1,1,0]=4 2970 B12R1.75 COc1cccnc1SC(C)C 62a_100000767102_100000210206 [0,2,0,0,0,0|1,1,0]=4 2971 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,2,0,0,0,0|1,1,0]=4 2972 B12R1.75 COc1ncccc1CN(C)C 2230a_100102631434_100020631285 [0,2,0,0,0,0|1,1,0]=4 2973 B12R1.75 COc1ncccc1CN(C)C 270004a_100102631434_100011290804 [0,2,0,0,0,0|1,1,0]=4 2974 B12R1.75 COc1ncccc1OC(C)C 34a_100000698397_100000210206 [0,2,0,0,0,0|1,1,0]=4 2975 B12R1.75 COc1ncccc1OC(C)C 7a_100000698397_100000210206 [0,2,0,0,0,0|1,1,0]=4 2976 B12R1.75 COc1ncccc1SC(C)C 62a_100000047025_100000210206 [0,2,0,0,0,0|1,1,0]=4 2977 B12R1.75 COc1ncccc1SC(C)C 62a_100000210206_100000047025 [0,2,0,0,0,0|1,1,0]=4 2978 B12R1.75 COc1nccnc1C=C(C)C 271570a_100102525489_100000749998 [0,2,0,0,0,0|0,1,1]=4 2979 B12R1.75 COc1nccnc1NC(C)C 27a_100138425928_100009858322 [0,2,0,0,0,0|0,1,0]=3 2980 B12R1.75 COc1nccnc1SC(C)C 62a_100000210206_100000749998 [0,2,0,0,0,0|0,1,0]=3 2981 B12R1.75 COc1nccnc1SC(C)C 62a_100009858322_100000210206 [0,2,0,0,0,0|0,1,0]=3 2982 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,2,0,0,0,0|2,0,0]=4 2983 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,2,0,0,0,0|2,0,0]=4 2984 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,2,0,0,0,0|2,0,0]=4 2985 B12R1.75 CSc1ccccc1CN(C)C 2230a_100102631434_100000699184 [0,2,0,0,0,0|2,0,0]=4 2986 B12R1.75 CSc1ccccc1CN(C)C 269982a_100102631434_100000699184 [0,2,0,0,0,0|2,0,0]=4 2987 B12R1.75 CSc1ccccc1CN(C)C 270004a_100102631434_100011217347 [0,2,0,0,0,0|2,0,0]=4 2988 B12R1.75 CSc1ccccc1CN(C)C 62a_100000174758_200000210301 [0,2,0,0,0,0|2,0,0]=4 2989 B12R1.75 CSc1ccccc1CN(C)C 62a_200000210301_100000174758 [0,2,0,0,0,0|2,0,0]=4 2990 B12R1.75 CSc1ccccc1NC(C)C 34a_100000211160_100000210206 [0,2,0,0,0,0|2,0,0]=4 2991 B12R1.75 CSc1ccccc1NC(C)C 62a_100000219599_200000210301 [0,2,0,0,0,0|2,0,0]=4 2992 B12R1.75 CSc1ccccc1NC(C)C 62a_200000210301_100000219599 [0,2,0,0,0,0|2,0,0]=4 2993 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,2,0,0,0,0|2,0,0]=4 2994 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,2,0,0,0,0|2,0,0]=4 2995 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,2,0,0,0,0|2,0,0]=4 2996 B12R1.75 CSc1ccccc1SC(C)C 62a_100000210206_100011217816 [0,2,0,0,0,0|2,0,0]=4 2997 B12R1.75 CSc1ccccc1SC(C)C 62a_100011217816_100000210206 [0,2,0,0,0,0|2,0,0]=4 2998 B12R1.75 CSc1cccnc1OC(C)C 62a_200000210301_200011465186 [0,2,0,0,0,0|1,0,0]=3 2999 B12R1.75 CSc1cccnc1OC(C)C 62a_200011465186_200000210301 [0,2,0,0,0,0|1,0,0]=3 3000 B12R1.75 CSc1ncccc1C=C(C)C 271570a_100102525489_100011465278 [0,2,0,0,0,0|1,0,1]=4 3001 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,2,0,0,0,0|1,0,1]=4 3002 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,2,0,0,0,0|1,0,1]=4 3003 B12R1.75 CSc1ncccc1OC(F)F 62a_100000697348_200000210301 [0,2,0,0,0,0|2,0,0]=4 3004 B12R1.75 CSc1ncccc1OC(F)F 62a_200000210301_100000697348 [0,2,0,0,0,0|2,0,0]=4 3005 B12R1.75 CSc1ncccc1SC(C)C 62a_100000210206_100011465278 [0,2,0,0,0,0|1,0,0]=3 3006 B12R1.75 CSc1ncccc1SC(C)C 62a_100011465278_100000210206 [0,2,0,0,0,0|1,0,0]=3 3007 B12R1.75 [13CH3]Sc1ncccc1OC(F)F 62a_100000697348_200025704644 [0,2,0,0,0,0|2,0,0]=4 3008 B12R1.75 [13CH3]Sc1ncccc1OC(F)F 62a_200025704644_100000697348 [0,2,0,0,0,0|2,0,0]=4 3009 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200010232107_200025704644 [0,2,0,0,0,0|2,0,0]=4 3010 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200025704644_200010232107 [0,2,0,0,0,0|2,0,0]=4 3011 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,2,0,0,0,0|2,0,0]=4 3012 B12R1.77 CCc1nccnc1C(C)NC 269862a_106832991636_100000033879 [0,2,0,0,0,0|1,0,0]=3 3013 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,2,0,0,0,0|1,0,1]=4 3014 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,2,0,0,0,0|1,0,1]=4 3015 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,2,0,0,0,0|1,0,1]=4 3016 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,2,0,0,0,0|1,0,1]=4 3017 B12R1.77 CNC(C)c1ccccc1SC 62a_100000692418_200000210301 [0,2,0,0,0,0|2,0,0]=4 3018 B12R1.77 CNC(C)c1ccccc1SC 62a_200000210301_100000692418 [0,2,0,0,0,0|2,0,0]=4 3019 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_100000692418_200025704644 [0,2,0,0,0,0|2,0,0]=4 3020 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_200025704644_100000692418 [0,2,0,0,0,0|2,0,0]=4 3021 B12R1.77 CNC(C)c1cccnc1OC 269862a_106832991636_100012184464 [0,2,0,0,0,0|1,1,0]=4 3022 B12R1.77 CNC(C)c1ncccc1OC 269862a_106832991636_100012185210 [0,2,0,0,0,0|1,1,0]=4 3023 B12R1.77 CNc1nccnc1C(=O)OC 27a_100102657272_100000079898 [0,2,0,0,0,0|1,0,1]=4 3024 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,2,0,0,0,0|1,0,1]=4 3025 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,2,0,0,0,0|1,0,1]=4 3026 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,2,0,0,0,0|1,0,1]=4 3027 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,2,0,0,0,0|1,0,1]=4 3028 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,2,0,0,0,0|1,0,1]=4 3029 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,2,0,0,0,0|1,0,1]=4 3030 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,2,0,0,0,0|1,0,1]=4 3031 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,2,0,0,0,0|1,0,1]=4 3032 B12R1.77 COC(=O)c1nccnc1SC 62a_100000688410_200000210301 [0,2,0,0,0,0|0,0,1]=3 3033 B12R1.77 COC(=O)c1nccnc1SC 62a_200000210301_100000079898 [0,2,0,0,0,0|0,0,1]=3 3034 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_100000688410_200025704644 [0,2,0,0,0,0|0,0,1]=3 3035 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000079898 [0,2,0,0,0,0|0,0,1]=3 3036 B12R1.77 CO[C@@H](C)c1ncccc1SC 62a_106256553109_200000210301 [0,2,0,0,0,0|1,0,0]=3 3037 B12R1.77 CO[C@@H](C)c1ncccc1SC 62a_200000210301_106256553109 [0,2,0,0,0,0|1,0,0]=3 3038 B12R1.77 CO[C@@H](C)c1ncccc1S[13CH3] 62a_106256553109_200025704644 [0,2,0,0,0,0|1,0,0]=3 3039 B12R1.77 CO[C@@H](C)c1ncccc1S[13CH3] 62a_200025704644_106256553109 [0,2,0,0,0,0|1,0,0]=3 3040 B12R1.77 CSc1ccccc1C(C)C#N 62a_200000210301_200010232107 [0,2,0,0,0,0|2,0,0]=4 3041 B12R1.77 CSc1ccccc1C(C)C#N 62a_200010232107_200000210301 [0,2,0,0,0,0|2,0,0]=4 3042 B12R1.77 CSc1ccccc1C(O)CN 62a_100011236429_200000210301 [0,2,0,0,0,0|2,0,0]=4 3043 B12R1.77 CSc1ccccc1C(O)CN 62a_200000210301_100011236429 [0,2,0,0,0,0|2,0,0]=4 3044 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_100161155918_200000210301 [0,2,0,0,0,0|2,0,0]=4 3045 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_200000210301_100161155918 [0,2,0,0,0,0|2,0,0]=4 3046 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_100011236429_200025704644 [0,2,0,0,0,0|2,0,0]=4 3047 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_200025704644_100011236429 [0,2,0,0,0,0|2,0,0]=4 3048 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_100161155918_200025704644 [0,2,0,0,0,0|2,0,0]=4 3049 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_200025704644_100161155918 [0,2,0,0,0,0|2,0,0]=4 3050 B12R1.121 C#CCNc1nccnc1CC 27a_100000212058_100011995844 [0,2,0,0,0,0|1,0,0]=3 3051 B12R1.121 C#CCNc1nccnc1OC 27a_100000212058_100009858322 [0,2,0,0,0,0|0,1,1]=4 3052 B12R1.121 C#CCSc1ccccc1CC 62a_100000038162_100011215823 [0,2,0,0,0,0|2,0,0]=4 3053 B12R1.121 C#CCSc1cccnc1CC 62a_100000038162_100009877225 [0,2,0,0,0,0|1,0,0]=3 3054 B12R1.121 C#CCSc1cccnc1CN 62a_100000038162_100020591323 [0,2,0,0,0,0|2,0,0]=4 3055 B12R1.121 C#CCSc1cccnc1CO 62a_100000038162_100011996772 [0,2,0,0,0,0|2,0,0]=4 3056 B12R1.121 C#CCSc1cccnc1NC 62a_100000038162_100000700899 [0,2,0,0,0,0|2,0,0]=4 3057 B12R1.121 C#CCSc1cccnc1OC 62a_100000038162_100000047025 [0,2,0,0,0,0|2,0,0]=4 3058 B12R1.121 C#CCSc1cccnc1SC 62a_100000038162_100011465278 [0,2,0,0,0,0|1,0,1]=4 3059 B12R1.121 C#CCSc1cncnc1CC 62a_100000038162_100009816992 [0,2,0,0,0,0|2,0,0]=4 3060 B12R1.121 C#CCSc1ncccc1CN 62a_100000038162_100015189234 [0,2,0,0,0,0|2,0,0]=4 3061 B12R1.121 C#CCSc1ncccc1CO 62a_100000038162_100000748726 [0,2,0,0,0,0|2,0,0]=4 3062 B12R1.121 C#CCSc1ncccc1NC 62a_100000038162_200011806188 [0,2,0,0,0,0|2,0,0]=4 3063 B12R1.121 C#CCSc1ncccc1OC 62a_100000038162_100000690851 [0,2,0,0,0,0|2,0,0]=4 3064 B12R1.121 C#CCSc1nccnc1C#N 62a_100000038162_100000040484 [0,2,0,0,0,0|1,0,1]=4 3065 B12R1.121 C#CCSc1nccnc1C=O 62a_100000038162_100000051000 [0,2,0,0,0,0|1,0,1]=4 3066 B12R1.121 C#CCSc1nccnc1CC 62a_100000038162_100011995844 [0,2,0,0,0,0|0,0,0]=2 3067 B12R1.121 C#CCSc1nccnc1CN 62a_100000038162_100000729963 [0,2,0,0,0,0|1,0,0]=3 3068 B12R1.121 C#CCSc1nccnc1CO 62a_100000038162_100000057004 [0,2,0,0,0,0|1,0,0]=3 3069 B12R1.121 C#CCSc1nccnc1NC 62a_100000038162_100011529439 [0,2,0,0,0,0|1,0,0]=3 3070 B12R1.121 C#CCSc1nccnc1NN 62a_100000038162_100000755098 [0,2,0,0,0,0|2,0,0]=4 3071 B12R1.121 C#CCSc1nccnc1OC 62a_100000038162_100000749998 [0,2,0,0,0,0|1,0,0]=3 3072 B12R1.121 C#CCSc1ncncc1CC 62a_100000038162_200000100055 [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.121 C=CCNc1nccnc1CC 27a_100020586998_100011995844 [0,2,0,0,0,0|1,0,0]=3 3074 B12R1.121 C=CCNc1nccnc1OC 27a_100020586998_100009858322 [0,2,0,0,0,0|0,1,1]=4 3075 B12R1.121 C=CCSc1ccccc1CC 62a_100000210623_100011215823 [0,2,0,0,0,0|2,0,0]=4 3076 B12R1.121 C=CCSc1ccccc1CC 62a_100011215823_100000210623 [0,2,0,0,0,0|2,0,0]=4 3077 B12R1.121 C=CCSc1cccnc1CC 62a_100000210623_100009877225 [0,2,0,0,0,0|1,0,0]=3 3078 B12R1.121 C=CCSc1cccnc1CC 62a_100009877225_100000210623 [0,2,0,0,0,0|1,0,0]=3 3079 B12R1.121 C=CCSc1cccnc1CN 62a_100000210623_100020591323 [0,2,0,0,0,0|2,0,0]=4 3080 B12R1.121 C=CCSc1cccnc1CN 62a_100020591323_100000210623 [0,2,0,0,0,0|2,0,0]=4 3081 B12R1.121 C=CCSc1cccnc1CO 62a_100000210623_100011996772 [0,2,0,0,0,0|2,0,0]=4 3082 B12R1.121 C=CCSc1cccnc1CO 62a_100011996772_100000210623 [0,2,0,0,0,0|2,0,0]=4 3083 B12R1.121 C=CCSc1cccnc1NC 62a_100000210623_100000700899 [0,2,0,0,0,0|2,0,0]=4 3084 B12R1.121 C=CCSc1cccnc1NC 62a_100000700899_100000210623 [0,2,0,0,0,0|2,0,0]=4 3085 B12R1.121 C=CCSc1cccnc1OC 62a_100000047025_100000210623 [0,2,0,0,0,0|2,0,0]=4 3086 B12R1.121 C=CCSc1cccnc1OC 62a_100000210623_100000047025 [0,2,0,0,0,0|2,0,0]=4 3087 B12R1.121 C=CCSc1cccnc1SC 62a_100000210623_100011465278 [0,2,0,0,0,0|1,0,1]=4 3088 B12R1.121 C=CCSc1cccnc1SC 62a_100011465278_100000210623 [0,2,0,0,0,0|1,0,1]=4 3089 B12R1.121 C=CCSc1cncnc1CC 62a_100000210623_100009816992 [0,2,0,0,0,0|2,0,0]=4 3090 B12R1.121 C=CCSc1cncnc1CC 62a_100009816992_100000210623 [0,2,0,0,0,0|2,0,0]=4 3091 B12R1.121 C=CCSc1ncccc1CN 62a_100000210623_100015189234 [0,2,0,0,0,0|2,0,0]=4 3092 B12R1.121 C=CCSc1ncccc1CN 62a_100015189234_100000210623 [0,2,0,0,0,0|2,0,0]=4 3093 B12R1.121 C=CCSc1ncccc1CO 62a_100000210623_100000748726 [0,2,0,0,0,0|2,0,0]=4 3094 B12R1.121 C=CCSc1ncccc1CO 62a_100000748726_100000210623 [0,2,0,0,0,0|2,0,0]=4 3095 B12R1.121 C=CCSc1ncccc1NC 62a_100000210623_200011806188 [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.121 C=CCSc1ncccc1OC 62a_100000210623_100000690851 [0,2,0,0,0,0|2,0,0]=4 3097 B12R1.121 C=CCSc1ncccc1OC 62a_100000767102_100000210623 [0,2,0,0,0,0|2,0,0]=4 3098 B12R1.121 C=CCSc1nccnc1C#N 62a_100000210623_100000040484 [0,2,0,0,0,0|1,0,1]=4 3099 B12R1.121 C=CCSc1nccnc1C=O 62a_100000051000_100000210623 [0,2,0,0,0,0|1,0,1]=4 3100 B12R1.121 C=CCSc1nccnc1C=O 62a_100000210623_100000051000 [0,2,0,0,0,0|1,0,1]=4 3101 B12R1.121 C=CCSc1nccnc1CC 62a_100000210623_100011995844 [0,2,0,0,0,0|0,0,0]=2 3102 B12R1.121 C=CCSc1nccnc1CC 62a_100011995844_100000210623 [0,2,0,0,0,0|0,0,0]=2 3103 B12R1.121 C=CCSc1nccnc1CN 62a_100000210623_100000729963 [0,2,0,0,0,0|1,0,0]=3 3104 B12R1.121 C=CCSc1nccnc1CN 62a_100000729963_100000210623 [0,2,0,0,0,0|1,0,0]=3 3105 B12R1.121 C=CCSc1nccnc1CO 62a_100000057004_100000210623 [0,2,0,0,0,0|1,0,0]=3 3106 B12R1.121 C=CCSc1nccnc1CO 62a_100000210623_100000057004 [0,2,0,0,0,0|1,0,0]=3 3107 B12R1.121 C=CCSc1nccnc1NC 62a_100000210623_100011529439 [0,2,0,0,0,0|1,0,0]=3 3108 B12R1.121 C=CCSc1nccnc1NN 62a_100000210623_100000755098 [0,2,0,0,0,0|2,0,0]=4 3109 B12R1.121 C=CCSc1nccnc1OC 62a_100000210623_100000749998 [0,2,0,0,0,0|1,0,0]=3 3110 B12R1.121 C=CCSc1nccnc1OC 62a_100009858322_100000210623 [0,2,0,0,0,0|1,0,0]=3 3111 B12R1.121 C=CCSc1ncncc1CC 62a_100000210623_200000100055 [0,2,0,0,0,0|2,0,0]=4 3112 B12R1.121 C=CCSc1ncncc1CC 62a_200000100055_100000210623 [0,2,0,0,0,0|2,0,0]=4 3113 B12R1.121 C=Cc1nccnc1NCCO 271570a_100011290941_200011219046 [0,2,0,0,0,0|1,0,1]=4 3114 B12R1.121 CC=NNc1nccnc1OC 4a_100000702116_200000210099 [0,2,0,0,0,0|0,1,1]=4 3115 B12R1.121 CCCCc1ccccc1SC 271570a_100020621405_100011217816 [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.121 CCCCc1cccnc1CC 271570a_100020621405_100009877225 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.121 CCCCc1cccnc1NC 271570a_100020621405_100000700899 [0,2,0,0,0,0|2,0,0]=4 3118 B12R1.121 CCCCc1cccnc1OC 271570a_100020621405_100000047025 [0,2,0,0,0,0|1,1,0]=4 3119 B12R1.121 CCCCc1cccnc1SC 271570a_100020621405_100011465278 [0,2,0,0,0,0|1,0,0]=3 3120 B12R1.121 CCCCc1ncccc1NC 271570a_100020621405_200011806188 [0,2,0,0,0,0|2,0,0]=4 3121 B12R1.121 CCCCc1ncccc1OC 271570a_100020621405_100000690851 [0,2,0,0,0,0|1,1,0]=4 3122 B12R1.121 CCCCc1nccnc1C#N 271570a_100020621405_100000040484 [0,2,0,0,0,0|2,0,0]=4 3123 B12R1.121 CCCCc1nccnc1CC 271570a_100020621405_100011995844 [0,2,0,0,0,0|1,0,0]=3 3124 B12R1.121 CCCCc1nccnc1CN 271570a_100020621405_100000729963 [0,2,0,0,0,0|2,0,0]=4 3125 B12R1.121 CCCCc1nccnc1CO 271570a_100020621405_100000057004 [0,2,0,0,0,0|2,0,0]=4 3126 B12R1.121 CCCCc1nccnc1NC 271570a_100020621405_100011529439 [0,2,0,0,0,0|1,0,0]=3 3127 B12R1.121 CCCCc1nccnc1NN 271570a_100020621405_100000755098 [0,2,0,0,0,0|2,0,0]=4 3128 B12R1.121 CCCCc1nccnc1OC 271570a_100020621405_100000749998 [0,2,0,0,0,0|0,1,0]=3 3129 B12R1.121 CCCCc1ncncc1SC 62a_200000210301_200009816989 [0,2,0,0,0,0|2,0,0]=4 3130 B12R1.121 CCCCc1ncncc1SC 62a_200009816989_200000210301 [0,2,0,0,0,0|2,0,0]=4 3131 B12R1.121 CCCCc1ncncc1S[13CH3] 62a_200009816989_200025704644 [0,2,0,0,0,0|2,0,0]=4 3132 B12R1.121 CCCCc1ncncc1S[13CH3] 62a_200025704644_200009816989 [0,2,0,0,0,0|2,0,0]=4 3133 B12R1.121 CCCNc1ccccc1SC 34a_100000211160_100000210303 [0,2,0,0,0,0|2,0,0]=4 3134 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,2,0,0,0,0|2,0,0]=4 3135 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,2,0,0,0,0|2,0,0]=4 3136 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,2,0,0,0,0|2,0,0]=4 3137 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,2,0,0,0,0|2,0,0]=4 3138 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,2,0,0,0,0|2,0,0]=4 3139 B12R1.121 CCCOc1cccnc1OC 34a_100000698397_100000210303 [0,2,0,0,0,0|1,1,0]=4 3140 B12R1.121 CCCOc1cccnc1OC 7a_100000698397_100000210303 [0,2,0,0,0,0|1,1,0]=4 3141 B12R1.121 CCCOc1ncccc1OC 34a_100025773188_100000210303 [0,2,0,0,0,0|1,1,0]=4 3142 B12R1.121 CCCOc1ncccc1SC 62a_200000210301_200011465209 [0,2,0,0,0,0|1,0,0]=3 3143 B12R1.121 CCCOc1ncccc1SC 62a_200011465209_200000210301 [0,2,0,0,0,0|1,0,0]=3 3144 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200011465209_200025704644 [0,2,0,0,0,0|1,0,0]=3 3145 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200025704644_200011465209 [0,2,0,0,0,0|1,0,0]=3 3146 B12R1.121 CCCSc1ccccc1CC 62a_100000210303_100011215823 [0,2,0,0,0,0|2,0,0]=4 3147 B12R1.121 CCCSc1ccccc1CC 62a_100011215823_100000210303 [0,2,0,0,0,0|2,0,0]=4 3148 B12R1.121 CCCSc1ccccc1SC 62a_100000210303_100011217816 [0,2,0,0,0,0|2,0,0]=4 3149 B12R1.121 CCCSc1ccccc1SC 62a_100011217816_100000210303 [0,2,0,0,0,0|2,0,0]=4 3150 B12R1.121 CCCSc1cccnc1CC 62a_100000210303_100009877225 [0,2,0,0,0,0|1,0,0]=3 3151 B12R1.121 CCCSc1cccnc1CC 62a_100009877225_100000210303 [0,2,0,0,0,0|1,0,0]=3 3152 B12R1.121 CCCSc1cccnc1CN 62a_100000210303_100020591323 [0,2,0,0,0,0|2,0,0]=4 3153 B12R1.121 CCCSc1cccnc1CN 62a_100020591323_100000210303 [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.121 CCCSc1cccnc1CO 62a_100000210303_100011996772 [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.121 CCCSc1cccnc1CO 62a_100011996772_100000210303 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.121 CCCSc1cccnc1NC 62a_100000210303_100000700899 [0,2,0,0,0,0|2,0,0]=4 3157 B12R1.121 CCCSc1cccnc1NC 62a_100000700899_100000210303 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.121 CCCSc1cccnc1OC 62a_100000047025_100000210303 [0,2,0,0,0,0|1,1,0]=4 3159 B12R1.121 CCCSc1cccnc1OC 62a_100000210303_100000047025 [0,2,0,0,0,0|1,1,0]=4 3160 B12R1.121 CCCSc1cccnc1SC 62a_100000210303_100011465278 [0,2,0,0,0,0|1,0,0]=3 3161 B12R1.121 CCCSc1cccnc1SC 62a_100011465278_100000210303 [0,2,0,0,0,0|1,0,0]=3 3162 B12R1.121 CCCSc1cncnc1CC 62a_100000210303_100009816992 [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.121 CCCSc1cncnc1CC 62a_100009816992_100000210303 [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.121 CCCSc1ncccc1CN 62a_100000210303_100015189234 [0,2,0,0,0,0|2,0,0]=4 3165 B12R1.121 CCCSc1ncccc1CN 62a_100015189234_100000210303 [0,2,0,0,0,0|2,0,0]=4 3166 B12R1.121 CCCSc1ncccc1CO 62a_100000210303_100000748726 [0,2,0,0,0,0|2,0,0]=4 3167 B12R1.121 CCCSc1ncccc1CO 62a_100000748726_100000210303 [0,2,0,0,0,0|2,0,0]=4 3168 B12R1.121 CCCSc1ncccc1NC 62a_100000210303_200011806188 [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.121 CCCSc1ncccc1OC 62a_100000210303_100000690851 [0,2,0,0,0,0|1,1,0]=4 3170 B12R1.121 CCCSc1ncccc1OC 62a_100000767102_100000210303 [0,2,0,0,0,0|1,1,0]=4 3171 B12R1.121 CCCSc1nccnc1C#N 62a_100000210303_100000040484 [0,2,0,0,0,0|1,0,1]=4 3172 B12R1.121 CCCSc1nccnc1C=O 62a_100000051000_100000210303 [0,2,0,0,0,0|1,0,1]=4 3173 B12R1.121 CCCSc1nccnc1C=O 62a_100000210303_100000051000 [0,2,0,0,0,0|1,0,1]=4 3174 B12R1.121 CCCSc1nccnc1CC 62a_100000210303_100011995844 [0,2,0,0,0,0|0,0,0]=2 3175 B12R1.121 CCCSc1nccnc1CC 62a_100011995844_100000210303 [0,2,0,0,0,0|0,0,0]=2 3176 B12R1.121 CCCSc1nccnc1CN 62a_100000210303_100000729963 [0,2,0,0,0,0|1,0,0]=3 3177 B12R1.121 CCCSc1nccnc1CN 62a_100000729963_100000210303 [0,2,0,0,0,0|1,0,0]=3 3178 B12R1.121 CCCSc1nccnc1CO 62a_100000057004_100000210303 [0,2,0,0,0,0|1,0,0]=3 3179 B12R1.121 CCCSc1nccnc1CO 62a_100000210303_100000057004 [0,2,0,0,0,0|1,0,0]=3 3180 B12R1.121 CCCSc1nccnc1NC 62a_100000210303_100011529439 [0,2,0,0,0,0|1,0,0]=3 3181 B12R1.121 CCCSc1nccnc1NN 62a_100000210303_100000755098 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.121 CCCSc1nccnc1OC 62a_100000210303_100000749998 [0,2,0,0,0,0|0,1,0]=3 3183 B12R1.121 CCCSc1nccnc1OC 62a_100009858322_100000210303 [0,2,0,0,0,0|0,1,0]=3 3184 B12R1.121 CCCSc1ncncc1CC 62a_100000210303_200000100055 [0,2,0,0,0,0|2,0,0]=4 3185 B12R1.121 CCCSc1ncncc1CC 62a_200000100055_100000210303 [0,2,0,0,0,0|2,0,0]=4 3186 B12R1.121 CCNCc1ccccc1SC 207a_100015525214_100011217347 [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.121 CCNCc1ccccc1SC 2230a_100015525214_100000699184 [0,2,0,0,0,0|2,0,0]=4 3188 B12R1.121 CCNCc1ccccc1SC 270004a_100015525214_100011217347 [0,2,0,0,0,0|2,0,0]=4 3189 B12R1.121 CCNCc1ccccc1SC 34a_102495365025_100000210202 [0,2,0,0,0,0|2,0,0]=4 3190 B12R1.121 CCNCc1cccnc1OC 207a_100015525214_100011290804 [0,2,0,0,0,0|1,1,0]=4 3191 B12R1.121 CCNCc1cccnc1OC 2230a_100015525214_100020631285 [0,2,0,0,0,0|1,1,0]=4 3192 B12R1.121 CCNCc1cccnc1OC 270004a_100015525214_100011290804 [0,2,0,0,0,0|1,1,0]=4 3193 B12R1.121 CCNCc1ncccc1OC 207a_100015525214_100011912573 [0,2,0,0,0,0|1,1,0]=4 3194 B12R1.121 CCNCc1ncccc1OC 270004a_100015525214_100011912573 [0,2,0,0,0,0|1,1,0]=4 3195 B12R1.121 CCOCc1ccccc1SC 34a_100000699167_100000210202 [0,2,0,0,0,0|2,0,0]=4 3196 B12R1.121 CCOCc1ccccc1SC 34a_100121572206_100000699184 [0,2,0,0,0,0|2,0,0]=4 3197 B12R1.121 CCOCc1ccccc1SC 62a_200000210301_200011493690 [0,2,0,0,0,0|2,0,0]=4 3198 B12R1.121 CCOCc1ccccc1SC 62a_200011493690_200000210301 [0,2,0,0,0,0|2,0,0]=4 3199 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200011493690_200025704644 [0,2,0,0,0,0|2,0,0]=4 3200 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200025704644_200011493690 [0,2,0,0,0,0|2,0,0]=4 3201 B12R1.121 CCOCc1cccnc1OC 34a_100000717863_100000210202 [0,2,0,0,0,0|1,1,0]=4 3202 B12R1.121 CCOCc1cccnc1OC 34a_100121572206_100020631285 [0,2,0,0,0,0|1,1,0]=4 3203 B12R1.121 CCOCc1ncccc1OC 34a_100011998681_100000210202 [0,2,0,0,0,0|1,1,0]=4 3204 B12R1.121 CCSCc1ccccc1SC 62a_100000210202_100000699184 [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.121 CCSCc1ccccc1SC 62a_100000699184_100000210202 [0,2,0,0,0,0|2,0,0]=4 3206 B12R1.121 CCSCc1ccccc1SC 62a_200000173030_200000210301 [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.121 CCSCc1ccccc1SC 62a_200000210301_200000173030 [0,2,0,0,0,0|2,0,0]=4 3208 B12R1.121 CCSCc1ccccc1S[13CH3] 62a_200000173030_200025704644 [0,2,0,0,0,0|2,0,0]=4 3209 B12R1.121 CCSCc1ccccc1S[13CH3] 62a_200025704644_200000173030 [0,2,0,0,0,0|2,0,0]=4 3210 B12R1.121 CCSCc1cccnc1OC 62a_100000210202_100020631285 [0,2,0,0,0,0|1,1,0]=4 3211 B12R1.121 CCSCc1cccnc1OC 62a_100020631285_100000210202 [0,2,0,0,0,0|1,1,0]=4 3212 B12R1.121 CCc1ccccc1NCSC 2230a_100000212081_100011218213 [0,2,0,0,0,0|2,0,0]=4 3213 B12R1.121 CCc1ccccc1NCSC 34a_100000212081_100011218213 [0,2,0,0,0,0|2,0,0]=4 3214 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [0,2,0,0,0,0|2,0,0]=4 3215 B12R1.121 CCc1ccccc1SCC#N 62a_100011215382_100011215823 [0,2,0,0,0,0|2,0,0]=4 3216 B12R1.121 CCc1ccccc1SCC#N 62a_100011215823_100011215382 [0,2,0,0,0,0|2,0,0]=4 3217 B12R1.121 CCc1ccccc1SCC=O 62a_100011215823_200015260668 [0,2,0,0,0,0|2,0,0]=4 3218 B12R1.121 CCc1ccccc1SCC=O 62a_200015260668_100011215823 [0,2,0,0,0,0|2,0,0]=4 3219 B12R1.121 CCc1ccccc1SCCF 62a_100011215823_100011217306 [0,2,0,0,0,0|2,0,0]=4 3220 B12R1.121 CCc1ccccc1SCCF 62a_100011217306_100011215823 [0,2,0,0,0,0|2,0,0]=4 3221 B12R1.121 CCc1ccccc1SCCO 62a_100000211926_100011215823 [0,2,0,0,0,0|2,0,0]=4 3222 B12R1.121 CCc1ccccc1SCCO 62a_100011215823_100000211926 [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.121 CCc1ccccc1SCOC 62a_100000766300_100011215823 [0,2,0,0,0,0|2,0,0]=4 3224 B12R1.121 CCc1ccccc1SCOC 62a_100011215823_100000766300 [0,2,0,0,0,0|2,0,0]=4 3225 B12R1.121 CCc1ccccc1SCSC 62a_100011215823_100011218213 [0,2,0,0,0,0|2,0,0]=4 3226 B12R1.121 CCc1ccccc1SCSC 62a_100011218213_100011215823 [0,2,0,0,0,0|2,0,0]=4 3227 B12R1.121 CCc1cncnc1SCC#N 62a_100011215382_200000100055 [0,2,0,0,0,0|2,0,0]=4 3228 B12R1.121 CCc1cncnc1SCC#N 62a_200000100055_100011215382 [0,2,0,0,0,0|2,0,0]=4 3229 B12R1.121 CCc1cncnc1SCC=O 62a_200000100055_200015260668 [0,2,0,0,0,0|2,0,0]=4 3230 B12R1.121 CCc1cncnc1SCC=O 62a_200015260668_200000100055 [0,2,0,0,0,0|2,0,0]=4 3231 B12R1.121 CCc1cncnc1SCCF 62a_100011217306_200000100055 [0,2,0,0,0,0|2,0,0]=4 3232 B12R1.121 CCc1cncnc1SCCF 62a_200000100055_100011217306 [0,2,0,0,0,0|2,0,0]=4 3233 B12R1.121 CCc1cncnc1SCCO 62a_100000211926_200000100055 [0,2,0,0,0,0|2,0,0]=4 3234 B12R1.121 CCc1cncnc1SCCO 62a_200000100055_100000211926 [0,2,0,0,0,0|2,0,0]=4 3235 B12R1.121 CCc1cncnc1SCOC 62a_100000766300_200000100055 [0,2,0,0,0,0|2,0,0]=4 3236 B12R1.121 CCc1cncnc1SCOC 62a_200000100055_100000766300 [0,2,0,0,0,0|2,0,0]=4 3237 B12R1.121 CCc1cncnc1SCSC 62a_100011218213_200000100055 [0,2,0,0,0,0|2,0,0]=4 3238 B12R1.121 CCc1cncnc1SCSC 62a_200000100055_100011218213 [0,2,0,0,0,0|2,0,0]=4 3239 B12R1.121 CCc1ncccc1SCC#N 62a_100009877225_100011215382 [0,2,0,0,0,0|1,0,0]=3 3240 B12R1.121 CCc1ncccc1SCC#N 62a_100011215382_100009877225 [0,2,0,0,0,0|1,0,0]=3 3241 B12R1.121 CCc1ncccc1SCC=O 62a_100009877225_200015260668 [0,2,0,0,0,0|1,0,0]=3 3242 B12R1.121 CCc1ncccc1SCC=O 62a_200015260668_100009877225 [0,2,0,0,0,0|1,0,0]=3 3243 B12R1.121 CCc1ncccc1SCCF 62a_100009877225_100011217306 [0,2,0,0,0,0|1,0,0]=3 3244 B12R1.121 CCc1ncccc1SCCF 62a_100011217306_100009877225 [0,2,0,0,0,0|1,0,0]=3 3245 B12R1.121 CCc1ncccc1SCCO 62a_100000211926_100009877225 [0,2,0,0,0,0|1,0,0]=3 3246 B12R1.121 CCc1ncccc1SCCO 62a_100009877225_100000211926 [0,2,0,0,0,0|1,0,0]=3 3247 B12R1.121 CCc1ncccc1SCOC 62a_100000766300_100009877225 [0,2,0,0,0,0|1,0,0]=3 3248 B12R1.121 CCc1ncccc1SCOC 62a_100009877225_100000766300 [0,2,0,0,0,0|1,0,0]=3 3249 B12R1.121 CCc1ncccc1SCSC 62a_100009877225_100011218213 [0,2,0,0,0,0|1,0,0]=3 3250 B12R1.121 CCc1ncccc1SCSC 62a_100011218213_100009877225 [0,2,0,0,0,0|1,0,0]=3 3251 B12R1.121 CCc1nccnc1NCCO 27a_100000210304_100011995844 [0,2,0,0,0,0|1,0,0]=3 3252 B12R1.121 CCc1nccnc1SCC#N 62a_100011215382_100011995844 [0,2,0,0,0,0|0,0,0]=2 3253 B12R1.121 CCc1nccnc1SCC#N 62a_100011995844_100011215382 [0,2,0,0,0,0|0,0,0]=2 3254 B12R1.121 CCc1nccnc1SCC=O 62a_100011995844_200015260668 [0,2,0,0,0,0|0,0,0]=2 3255 B12R1.121 CCc1nccnc1SCC=O 62a_200015260668_100011995844 [0,2,0,0,0,0|0,0,0]=2 3256 B12R1.121 CCc1nccnc1SCCF 62a_100011217306_100011995844 [0,2,0,0,0,0|0,0,0]=2 3257 B12R1.121 CCc1nccnc1SCCF 62a_100011995844_100011217306 [0,2,0,0,0,0|0,0,0]=2 3258 B12R1.121 CCc1nccnc1SCCO 62a_100000211926_100011995844 [0,2,0,0,0,0|0,0,0]=2 3259 B12R1.121 CCc1nccnc1SCCO 62a_100011995844_100000211926 [0,2,0,0,0,0|0,0,0]=2 3260 B12R1.121 CCc1nccnc1SCOC 62a_100000766300_100011995844 [0,2,0,0,0,0|0,0,0]=2 3261 B12R1.121 CCc1nccnc1SCOC 62a_100011995844_100000766300 [0,2,0,0,0,0|0,0,0]=2 3262 B12R1.121 CCc1nccnc1SCSC 62a_100011218213_100011995844 [0,2,0,0,0,0|0,0,0]=2 3263 B12R1.121 CCc1nccnc1SCSC 62a_100011995844_100011218213 [0,2,0,0,0,0|0,0,0]=2 3264 B12R1.121 CCc1ncncc1SCC#N 62a_100009816992_100011215382 [0,2,0,0,0,0|2,0,0]=4 3265 B12R1.121 CCc1ncncc1SCC#N 62a_100011215382_100009816992 [0,2,0,0,0,0|2,0,0]=4 3266 B12R1.121 CCc1ncncc1SCC=O 62a_100009816992_200015260668 [0,2,0,0,0,0|2,0,0]=4 3267 B12R1.121 CCc1ncncc1SCC=O 62a_200015260668_100009816992 [0,2,0,0,0,0|2,0,0]=4 3268 B12R1.121 CCc1ncncc1SCCF 62a_100009816992_100011217306 [0,2,0,0,0,0|2,0,0]=4 3269 B12R1.121 CCc1ncncc1SCCF 62a_100011217306_100009816992 [0,2,0,0,0,0|2,0,0]=4 3270 B12R1.121 CCc1ncncc1SCCO 62a_100000211926_100009816992 [0,2,0,0,0,0|2,0,0]=4 3271 B12R1.121 CCc1ncncc1SCCO 62a_100009816992_100000211926 [0,2,0,0,0,0|2,0,0]=4 3272 B12R1.121 CCc1ncncc1SCOC 62a_100000766300_100009816992 [0,2,0,0,0,0|2,0,0]=4 3273 B12R1.121 CCc1ncncc1SCOC 62a_100009816992_100000766300 [0,2,0,0,0,0|2,0,0]=4 3274 B12R1.121 CCc1ncncc1SCSC 62a_100009816992_100011218213 [0,2,0,0,0,0|2,0,0]=4 3275 B12R1.121 CCc1ncncc1SCSC 62a_100011218213_100009816992 [0,2,0,0,0,0|2,0,0]=4 3276 B12R1.121 CNc1cccnc1SCC#N 62a_100011215382_200011806188 [0,2,0,0,0,0|2,0,0]=4 3277 B12R1.121 CNc1cccnc1SCC=O 62a_200015260668_200011806188 [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.121 CNc1cccnc1SCCF 62a_100011217306_200011806188 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.121 CNc1cccnc1SCCO 62a_100000211926_200011806188 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.121 CNc1cccnc1SCOC 62a_100000766300_200011806188 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.121 CNc1cccnc1SCSC 62a_100011218213_200011806188 [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.121 CNc1ncccc1OCCF 27a_100102657272_100012814765 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.121 CNc1ncccc1SCC#N 62a_100000700899_100011215382 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.121 CNc1ncccc1SCC#N 62a_100011215382_100000700899 [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.121 CNc1ncccc1SCC=O 62a_100000700899_200015260668 [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.121 CNc1ncccc1SCC=O 62a_200015260668_100000700899 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.121 CNc1ncccc1SCCF 62a_100000700899_100011217306 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.121 CNc1ncccc1SCCF 62a_100011217306_100000700899 [0,2,0,0,0,0|2,0,0]=4 3289 B12R1.121 CNc1ncccc1SCCO 62a_100000211926_100000700899 [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.121 CNc1ncccc1SCCO 62a_100000700899_100000211926 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.121 CNc1ncccc1SCOC 62a_100000700899_100000766300 [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.121 CNc1ncccc1SCOC 62a_100000766300_100000700899 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.121 CNc1ncccc1SCSC 62a_100000700899_100011218213 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.121 CNc1ncccc1SCSC 62a_100011218213_100000700899 [0,2,0,0,0,0|2,0,0]=4 3295 B12R1.121 CNc1nccnc1SCC#N 62a_100011215382_100011529439 [0,2,0,0,0,0|1,0,0]=3 3296 B12R1.121 CNc1nccnc1SCC=O 62a_200015260668_100011529439 [0,2,0,0,0,0|1,0,0]=3 3297 B12R1.121 CNc1nccnc1SCCF 62a_100011217306_100011529439 [0,2,0,0,0,0|1,0,0]=3 3298 B12R1.121 CNc1nccnc1SCCO 62a_100000211926_100011529439 [0,2,0,0,0,0|1,0,0]=3 3299 B12R1.121 CNc1nccnc1SCOC 62a_100000766300_100011529439 [0,2,0,0,0,0|1,0,0]=3 3300 B12R1.121 CNc1nccnc1SCSC 62a_100011218213_100011529439 [0,2,0,0,0,0|1,0,0]=3 3301 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [0,2,0,0,0,0|2,0,0]=4 3302 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [0,2,0,0,0,0|2,0,0]=4 3303 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [0,2,0,0,0,0|2,0,0]=4 3304 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [0,2,0,0,0,0|2,0,0]=4 3305 B12R1.121 COCOc1cccnc1SC 62a_100011935308_200000210301 [0,2,0,0,0,0|1,0,0]=3 3306 B12R1.121 COCOc1cccnc1SC 62a_200000210301_100011935308 [0,2,0,0,0,0|1,0,0]=3 3307 B12R1.121 COCOc1cccnc1S[13CH3] 62a_100011935308_200025704644 [0,2,0,0,0,0|1,0,0]=3 3308 B12R1.121 COCOc1cccnc1S[13CH3] 62a_200025704644_100011935308 [0,2,0,0,0,0|1,0,0]=3 3309 B12R1.121 COCSc1ccccc1SC 62a_100000766300_100011217816 [0,2,0,0,0,0|2,0,0]=4 3310 B12R1.121 COCSc1ccccc1SC 62a_100011217816_100000766300 [0,2,0,0,0,0|2,0,0]=4 3311 B12R1.121 COCSc1cccnc1CN 62a_100000766300_100020591323 [0,2,0,0,0,0|2,0,0]=4 3312 B12R1.121 COCSc1cccnc1CN 62a_100020591323_100000766300 [0,2,0,0,0,0|2,0,0]=4 3313 B12R1.121 COCSc1cccnc1CO 62a_100000766300_100011996772 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.121 COCSc1cccnc1CO 62a_100011996772_100000766300 [0,2,0,0,0,0|2,0,0]=4 3315 B12R1.121 COCSc1cccnc1OC 62a_100000047025_100000766300 [0,2,0,0,0,0|1,1,0]=4 3316 B12R1.121 COCSc1cccnc1OC 62a_100000766300_100000047025 [0,2,0,0,0,0|1,1,0]=4 3317 B12R1.121 COCSc1cccnc1SC 62a_100000766300_100011465278 [0,2,0,0,0,0|1,0,0]=3 3318 B12R1.121 COCSc1cccnc1SC 62a_100011465278_100000766300 [0,2,0,0,0,0|1,0,0]=3 3319 B12R1.121 COCSc1ncccc1CN 62a_100000766300_100015189234 [0,2,0,0,0,0|2,0,0]=4 3320 B12R1.121 COCSc1ncccc1CN 62a_100015189234_100000766300 [0,2,0,0,0,0|2,0,0]=4 3321 B12R1.121 COCSc1ncccc1CO 62a_100000748726_100000766300 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.121 COCSc1ncccc1CO 62a_100000766300_100000748726 [0,2,0,0,0,0|2,0,0]=4 3323 B12R1.121 COCSc1ncccc1OC 62a_100000766300_100000690851 [0,2,0,0,0,0|1,1,0]=4 3324 B12R1.121 COCSc1ncccc1OC 62a_100000767102_100000766300 [0,2,0,0,0,0|1,1,0]=4 3325 B12R1.121 COCSc1nccnc1C#N 62a_100000766300_100000040484 [0,2,0,0,0,0|1,0,1]=4 3326 B12R1.121 COCSc1nccnc1C=O 62a_100000051000_100000766300 [0,2,0,0,0,0|1,0,1]=4 3327 B12R1.121 COCSc1nccnc1C=O 62a_100000766300_100000051000 [0,2,0,0,0,0|1,0,1]=4 3328 B12R1.121 COCSc1nccnc1CN 62a_100000729963_100000766300 [0,2,0,0,0,0|1,0,0]=3 3329 B12R1.121 COCSc1nccnc1CN 62a_100000766300_100000729963 [0,2,0,0,0,0|1,0,0]=3 3330 B12R1.121 COCSc1nccnc1CO 62a_100000057004_100000766300 [0,2,0,0,0,0|1,0,0]=3 3331 B12R1.121 COCSc1nccnc1CO 62a_100000766300_100000057004 [0,2,0,0,0,0|1,0,0]=3 3332 B12R1.121 COCSc1nccnc1NN 62a_100000766300_100000755098 [0,2,0,0,0,0|2,0,0]=4 3333 B12R1.121 COCSc1nccnc1OC 62a_100000766300_100000749998 [0,2,0,0,0,0|0,1,0]=3 3334 B12R1.121 COCSc1nccnc1OC 62a_100009858322_100000766300 [0,2,0,0,0,0|0,1,0]=3 3335 B12R1.121 COc1cccnc1COCF 34a_100011998681_100015361967 [0,2,0,0,0,0|1,1,0]=4 3336 B12R1.121 COc1cccnc1OCCF 34a_100025773188_100011217306 [0,2,0,0,0,0|1,1,0]=4 3337 B12R1.121 COc1cccnc1OCCO 34a_100025773188_100000211926 [0,2,0,0,0,0|1,1,0]=4 3338 B12R1.121 COc1cccnc1OCSC 34a_100025773188_100011218213 [0,2,0,0,0,0|1,1,0]=4 3339 B12R1.121 COc1cccnc1SCC#N 62a_100000767102_100011215382 [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.121 COc1cccnc1SCC#N 62a_100011215382_100000690851 [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.121 COc1cccnc1SCC=O 62a_100000767102_200015260668 [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.121 COc1cccnc1SCC=O 62a_200015260668_100000690851 [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.121 COc1cccnc1SCCF 62a_100000767102_100011217306 [0,2,0,0,0,0|1,1,0]=4 3344 B12R1.121 COc1cccnc1SCCF 62a_100011217306_100000690851 [0,2,0,0,0,0|1,1,0]=4 3345 B12R1.121 COc1cccnc1SCCO 62a_100000211926_100000690851 [0,2,0,0,0,0|1,1,0]=4 3346 B12R1.121 COc1cccnc1SCCO 62a_100000767102_100000211926 [0,2,0,0,0,0|1,1,0]=4 3347 B12R1.121 COc1cccnc1SCSC 62a_100000767102_100011218213 [0,2,0,0,0,0|1,1,0]=4 3348 B12R1.121 COc1cccnc1SCSC 62a_100011218213_100000690851 [0,2,0,0,0,0|1,1,0]=4 3349 B12R1.121 COc1ncccc1COCF 34a_100000717863_100015361967 [0,2,0,0,0,0|1,1,0]=4 3350 B12R1.121 COc1ncccc1CSCF 62a_100015361967_100020631285 [0,2,0,0,0,0|1,1,0]=4 3351 B12R1.121 COc1ncccc1CSCF 62a_100020631285_100015361967 [0,2,0,0,0,0|1,1,0]=4 3352 B12R1.121 COc1ncccc1OCCF 34a_100000698397_100011217306 [0,2,0,0,0,0|1,1,0]=4 3353 B12R1.121 COc1ncccc1OCCF 7a_100000698397_100011217306 [0,2,0,0,0,0|1,1,0]=4 3354 B12R1.121 COc1ncccc1OCCO 34a_100000698397_100000211926 [0,2,0,0,0,0|1,1,0]=4 3355 B12R1.121 COc1ncccc1OCCO 7a_100000698397_100000211926 [0,2,0,0,0,0|1,1,0]=4 3356 B12R1.121 COc1ncccc1OCSC 34a_100000698397_100011218213 [0,2,0,0,0,0|1,1,0]=4 3357 B12R1.121 COc1ncccc1SCC#N 62a_100000047025_100011215382 [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.121 COc1ncccc1SCC#N 62a_100011215382_100000047025 [0,2,0,0,0,0|2,0,0]=4 3359 B12R1.121 COc1ncccc1SCC=O 62a_100000047025_200015260668 [0,2,0,0,0,0|2,0,0]=4 3360 B12R1.121 COc1ncccc1SCC=O 62a_200015260668_100000047025 [0,2,0,0,0,0|2,0,0]=4 3361 B12R1.121 COc1ncccc1SCCF 62a_100000047025_100011217306 [0,2,0,0,0,0|1,1,0]=4 3362 B12R1.121 COc1ncccc1SCCF 62a_100011217306_100000047025 [0,2,0,0,0,0|1,1,0]=4 3363 B12R1.121 COc1ncccc1SCCO 62a_100000047025_100000211926 [0,2,0,0,0,0|1,1,0]=4 3364 B12R1.121 COc1ncccc1SCCO 62a_100000211926_100000047025 [0,2,0,0,0,0|1,1,0]=4 3365 B12R1.121 COc1ncccc1SCSC 62a_100000047025_100011218213 [0,2,0,0,0,0|1,1,0]=4 3366 B12R1.121 COc1ncccc1SCSC 62a_100011218213_100000047025 [0,2,0,0,0,0|1,1,0]=4 3367 B12R1.121 COc1nccnc1NCCO 27a_100000210304_100009858322 [0,2,0,0,0,0|0,1,0]=3 3368 B12R1.121 COc1nccnc1SCC#N 62a_100009858322_100011215382 [0,2,0,0,0,0|1,0,0]=3 3369 B12R1.121 COc1nccnc1SCC#N 62a_100011215382_100000749998 [0,2,0,0,0,0|1,0,0]=3 3370 B12R1.121 COc1nccnc1SCC=O 62a_100009858322_200015260668 [0,2,0,0,0,0|1,0,0]=3 3371 B12R1.121 COc1nccnc1SCC=O 62a_200015260668_100000749998 [0,2,0,0,0,0|1,0,0]=3 3372 B12R1.121 COc1nccnc1SCCF 62a_100009858322_100011217306 [0,2,0,0,0,0|0,1,0]=3 3373 B12R1.121 COc1nccnc1SCCF 62a_100011217306_100000749998 [0,2,0,0,0,0|0,1,0]=3 3374 B12R1.121 COc1nccnc1SCCO 62a_100000211926_100000749998 [0,2,0,0,0,0|0,1,0]=3 3375 B12R1.121 COc1nccnc1SCCO 62a_100009858322_100000211926 [0,2,0,0,0,0|0,1,0]=3 3376 B12R1.121 COc1nccnc1SCSC 62a_100009858322_100011218213 [0,2,0,0,0,0|0,1,0]=3 3377 B12R1.121 COc1nccnc1SCSC 62a_100011218213_100000749998 [0,2,0,0,0,0|0,1,0]=3 3378 B12R1.121 CSCNc1ccccc1SC 34a_100000211160_100011218213 [0,2,0,0,0,0|2,0,0]=4 3379 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [0,2,0,0,0,0|2,0,0]=4 3380 B12R1.121 CSCOc1cccnc1CBr 34a_200020655725_100011218213 [0,2,0,0,0,0|2,0,0]=4 3381 B12R1.121 CSCOc1cccnc1CO 34a_100000731849_100011218213 [0,2,0,0,0,0|2,0,0]=4 3382 B12R1.121 CSCSc1ccccc1SC 62a_100011217816_100011218213 [0,2,0,0,0,0|2,0,0]=4 3383 B12R1.121 CSCSc1ccccc1SC 62a_100011218213_100011217816 [0,2,0,0,0,0|2,0,0]=4 3384 B12R1.121 CSCSc1cccnc1CN 62a_100011218213_100020591323 [0,2,0,0,0,0|2,0,0]=4 3385 B12R1.121 CSCSc1cccnc1CN 62a_100020591323_100011218213 [0,2,0,0,0,0|2,0,0]=4 3386 B12R1.121 CSCSc1cccnc1CO 62a_100011218213_100011996772 [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.121 CSCSc1cccnc1CO 62a_100011996772_100011218213 [0,2,0,0,0,0|2,0,0]=4 3388 B12R1.121 CSCSc1cccnc1SC 62a_100011218213_100011465278 [0,2,0,0,0,0|1,0,0]=3 3389 B12R1.121 CSCSc1cccnc1SC 62a_100011465278_100011218213 [0,2,0,0,0,0|1,0,0]=3 3390 B12R1.121 CSCSc1ncccc1CN 62a_100011218213_100015189234 [0,2,0,0,0,0|2,0,0]=4 3391 B12R1.121 CSCSc1ncccc1CN 62a_100015189234_100011218213 [0,2,0,0,0,0|2,0,0]=4 3392 B12R1.121 CSCSc1ncccc1CO 62a_100000748726_100011218213 [0,2,0,0,0,0|2,0,0]=4 3393 B12R1.121 CSCSc1ncccc1CO 62a_100011218213_100000748726 [0,2,0,0,0,0|2,0,0]=4 3394 B12R1.121 CSCSc1nccnc1C#N 62a_100011218213_100000040484 [0,2,0,0,0,0|1,0,1]=4 3395 B12R1.121 CSCSc1nccnc1C=O 62a_100000051000_100011218213 [0,2,0,0,0,0|1,0,1]=4 3396 B12R1.121 CSCSc1nccnc1C=O 62a_100011218213_100000051000 [0,2,0,0,0,0|1,0,1]=4 3397 B12R1.121 CSCSc1nccnc1CN 62a_100000729963_100011218213 [0,2,0,0,0,0|1,0,0]=3 3398 B12R1.121 CSCSc1nccnc1CN 62a_100011218213_100000729963 [0,2,0,0,0,0|1,0,0]=3 3399 B12R1.121 CSCSc1nccnc1CO 62a_100000057004_100011218213 [0,2,0,0,0,0|1,0,0]=3 3400 B12R1.121 CSCSc1nccnc1CO 62a_100011218213_100000057004 [0,2,0,0,0,0|1,0,0]=3 3401 B12R1.121 CSCSc1nccnc1NN 62a_100011218213_100000755098 [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,2,0,0,0,0|2,0,0]=4 3403 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.121 CSc1ccccc1CCCO 62a_100000699526_200000210301 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.121 CSc1ccccc1CCCO 62a_200000210301_100000699526 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.121 CSc1ccccc1CNCF 34a_102495365025_100015361967 [0,2,0,0,0,0|2,0,0]=4 3407 B12R1.121 CSc1ccccc1COCF 34a_100000699167_100015361967 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.121 CSc1ccccc1CSCF 62a_100000699184_100015361967 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.121 CSc1ccccc1CSCF 62a_100015361967_100000699184 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.121 CSc1ccccc1NCCF 34a_100000211160_100011217306 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.121 CSc1ccccc1NCCO 34a_100000211160_100000211926 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,2,0,0,0,0|2,0,0]=4 3415 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [0,2,0,0,0,0|2,0,0]=4 3416 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.121 CSc1ccccc1SCCF 62a_100011217306_100011217816 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.121 CSc1ccccc1SCCF 62a_100011217816_100011217306 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.121 CSc1ccccc1SCCO 62a_100000211926_100011217816 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.121 CSc1ccccc1SCCO 62a_100011217816_100000211926 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.121 CSc1ccccc1SCCO 62a_200000210301_200000230852 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.121 CSc1ccccc1SCCO 62a_200000230852_200000210301 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.121 CSc1cccnc1NCCO 62a_200000210301_200011464885 [0,2,0,0,0,0|1,0,0]=3 3425 B12R1.121 CSc1cccnc1NCCO 62a_200011464885_200000210301 [0,2,0,0,0,0|1,0,0]=3 3426 B12R1.121 CSc1ncccc1OCCF 62a_100012814765_200000210301 [0,2,0,0,0,0|1,0,0]=3 3427 B12R1.121 CSc1ncccc1OCCF 62a_200000210301_100012814765 [0,2,0,0,0,0|1,0,0]=3 3428 B12R1.121 CSc1ncccc1SCC#N 62a_100011215382_100011465278 [0,2,0,0,0,0|1,0,1]=4 3429 B12R1.121 CSc1ncccc1SCC#N 62a_100011465278_100011215382 [0,2,0,0,0,0|1,0,1]=4 3430 B12R1.121 CSc1ncccc1SCC=O 62a_100011465278_200015260668 [0,2,0,0,0,0|1,0,1]=4 3431 B12R1.121 CSc1ncccc1SCC=O 62a_200015260668_100011465278 [0,2,0,0,0,0|1,0,1]=4 3432 B12R1.121 CSc1ncccc1SCCF 62a_100011217306_100011465278 [0,2,0,0,0,0|1,0,0]=3 3433 B12R1.121 CSc1ncccc1SCCF 62a_100011465278_100011217306 [0,2,0,0,0,0|1,0,0]=3 3434 B12R1.121 CSc1ncccc1SCCO 62a_100000211926_100011465278 [0,2,0,0,0,0|1,0,0]=3 3435 B12R1.121 CSc1ncccc1SCCO 62a_100011465278_100000211926 [0,2,0,0,0,0|1,0,0]=3 3436 B12R1.121 CSc1nccnc1NCCO 62a_200000210301_200011219046 [0,2,0,0,0,0|0,0,0]=2 3437 B12R1.121 CSc1nccnc1NCCO 62a_200011219046_200000210301 [0,2,0,0,0,0|0,0,0]=2 3438 B12R1.121 N#CCSc1cccnc1CN 62a_100011215382_100020591323 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.121 N#CCSc1cccnc1CN 62a_100020591323_100011215382 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.121 N#CCSc1cccnc1CO 62a_100011215382_100011996772 [0,2,0,0,0,0|2,0,0]=4 3441 B12R1.121 N#CCSc1cccnc1CO 62a_100011996772_100011215382 [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.121 N#CCSc1ncccc1CN 62a_100011215382_100015189234 [0,2,0,0,0,0|2,0,0]=4 3443 B12R1.121 N#CCSc1ncccc1CN 62a_100015189234_100011215382 [0,2,0,0,0,0|2,0,0]=4 3444 B12R1.121 N#CCSc1ncccc1CO 62a_100000748726_100011215382 [0,2,0,0,0,0|2,0,0]=4 3445 B12R1.121 N#CCSc1ncccc1CO 62a_100011215382_100000748726 [0,2,0,0,0,0|2,0,0]=4 3446 B12R1.121 N#CCSc1nccnc1C#N 62a_100011215382_100000040484 [0,2,0,0,0,0|1,0,1]=4 3447 B12R1.121 N#CCSc1nccnc1C=O 62a_100000051000_100011215382 [0,2,0,0,0,0|1,0,1]=4 3448 B12R1.121 N#CCSc1nccnc1C=O 62a_100011215382_100000051000 [0,2,0,0,0,0|1,0,1]=4 3449 B12R1.121 N#CCSc1nccnc1CN 62a_100000729963_100011215382 [0,2,0,0,0,0|1,0,0]=3 3450 B12R1.121 N#CCSc1nccnc1CN 62a_100011215382_100000729963 [0,2,0,0,0,0|1,0,0]=3 3451 B12R1.121 N#CCSc1nccnc1CO 62a_100000057004_100011215382 [0,2,0,0,0,0|1,0,0]=3 3452 B12R1.121 N#CCSc1nccnc1CO 62a_100011215382_100000057004 [0,2,0,0,0,0|1,0,0]=3 3453 B12R1.121 N#CCSc1nccnc1NN 62a_100011215382_100000755098 [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.121 N#Cc1nccnc1NCCO 27a_100000210304_100000040484 [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.121 N#Cc1nccnc1SCC=O 62a_200015260668_100000040484 [0,2,0,0,0,0|1,0,1]=4 3456 B12R1.121 N#Cc1nccnc1SCCF 62a_100011217306_100000040484 [0,2,0,0,0,0|1,0,1]=4 3457 B12R1.121 N#Cc1nccnc1SCCO 62a_100000211926_100000040484 [0,2,0,0,0,0|1,0,1]=4 3458 B12R1.121 NCc1cccnc1SCC=O 62a_100015189234_200015260668 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.121 NCc1cccnc1SCC=O 62a_200015260668_100015189234 [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.121 NCc1cccnc1SCCF 62a_100011217306_100015189234 [0,2,0,0,0,0|2,0,0]=4 3461 B12R1.121 NCc1cccnc1SCCF 62a_100015189234_100011217306 [0,2,0,0,0,0|2,0,0]=4 3462 B12R1.121 NCc1cccnc1SCCO 62a_100000211926_100015189234 [0,2,0,0,0,0|2,0,0]=4 3463 B12R1.121 NCc1cccnc1SCCO 62a_100015189234_100000211926 [0,2,0,0,0,0|2,0,0]=4 3464 B12R1.121 NCc1ncccc1SCC=O 62a_100020591323_200015260668 [0,2,0,0,0,0|2,0,0]=4 3465 B12R1.121 NCc1ncccc1SCC=O 62a_200015260668_100020591323 [0,2,0,0,0,0|2,0,0]=4 3466 B12R1.121 NCc1ncccc1SCCF 62a_100011217306_100020591323 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.121 NCc1ncccc1SCCF 62a_100020591323_100011217306 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.121 NCc1ncccc1SCCO 62a_100000211926_100020591323 [0,2,0,0,0,0|2,0,0]=4 3469 B12R1.121 NCc1ncccc1SCCO 62a_100020591323_100000211926 [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.121 NCc1nccnc1SCC=O 62a_100000729963_200015260668 [0,2,0,0,0,0|1,0,0]=3 3471 B12R1.121 NCc1nccnc1SCC=O 62a_200015260668_100000729963 [0,2,0,0,0,0|1,0,0]=3 3472 B12R1.121 NCc1nccnc1SCCF 62a_100000729963_100011217306 [0,2,0,0,0,0|1,0,0]=3 3473 B12R1.121 NCc1nccnc1SCCF 62a_100011217306_100000729963 [0,2,0,0,0,0|1,0,0]=3 3474 B12R1.121 NCc1nccnc1SCCO 62a_100000211926_100000729963 [0,2,0,0,0,0|1,0,0]=3 3475 B12R1.121 NCc1nccnc1SCCO 62a_100000729963_100000211926 [0,2,0,0,0,0|1,0,0]=3 3476 B12R1.121 NNc1nccnc1SCC=O 62a_200015260668_100000755098 [0,2,0,0,0,0|2,0,0]=4 3477 B12R1.121 NNc1nccnc1SCCF 62a_100011217306_100000755098 [0,2,0,0,0,0|2,0,0]=4 3478 B12R1.121 NNc1nccnc1SCCO 62a_100000211926_100000755098 [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.121 O=CCSc1cccnc1CO 62a_100011996772_200015260668 [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.121 O=CCSc1cccnc1CO 62a_200015260668_100011996772 [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.121 O=CCSc1ncccc1CO 62a_100000748726_200015260668 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.121 O=CCSc1ncccc1CO 62a_200015260668_100000748726 [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.121 O=CCSc1nccnc1C=O 62a_100000051000_200015260668 [0,2,0,0,0,0|1,0,1]=4 3484 B12R1.121 O=CCSc1nccnc1C=O 62a_200015260668_100000051000 [0,2,0,0,0,0|1,0,1]=4 3485 B12R1.121 O=CCSc1nccnc1CO 62a_100000057004_200015260668 [0,2,0,0,0,0|1,0,0]=3 3486 B12R1.121 O=CCSc1nccnc1CO 62a_200015260668_100000057004 [0,2,0,0,0,0|1,0,0]=3 3487 B12R1.121 O=Cc1nccnc1SCCF 62a_100000051000_100011217306 [0,2,0,0,0,0|1,0,1]=4 3488 B12R1.121 O=Cc1nccnc1SCCF 62a_100011217306_100000051000 [0,2,0,0,0,0|1,0,1]=4 3489 B12R1.121 O=Cc1nccnc1SCCO 62a_100000051000_100000211926 [0,2,0,0,0,0|1,0,1]=4 3490 B12R1.121 O=Cc1nccnc1SCCO 62a_100000211926_100000051000 [0,2,0,0,0,0|1,0,1]=4 3491 B12R1.121 OCCSc1cccnc1CO 62a_100000211926_100011996772 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.121 OCCSc1cccnc1CO 62a_100011996772_100000211926 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.121 OCCSc1ncccc1CO 62a_100000211926_100000748726 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.121 OCCSc1ncccc1CO 62a_100000748726_100000211926 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.121 OCCSc1nccnc1CO 62a_100000057004_100000211926 [0,2,0,0,0,0|1,0,0]=3 3496 B12R1.121 OCCSc1nccnc1CO 62a_100000211926_100000057004 [0,2,0,0,0,0|1,0,0]=3 3497 B12R1.121 OCc1cccnc1SCCF 62a_100000748726_100011217306 [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.121 OCc1cccnc1SCCF 62a_100011217306_100000748726 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.121 OCc1ncccc1SCCF 62a_100011217306_100011996772 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.121 OCc1ncccc1SCCF 62a_100011996772_100011217306 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.121 OCc1nccnc1SCCF 62a_100000057004_100011217306 [0,2,0,0,0,0|1,0,0]=3 3502 B12R1.121 OCc1nccnc1SCCF 62a_100011217306_100000057004 [0,2,0,0,0,0|1,0,0]=3 3503 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_100000699526_200025704644 [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_200025704644_100000699526 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200000230852_200025704644 [0,2,0,0,0,0|2,0,0]=4 3512 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200025704644_200000230852 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.121 [13CH3]Sc1cccnc1NCCO 62a_200011464885_200025704644 [0,2,0,0,0,0|1,0,0]=3 3514 B12R1.121 [13CH3]Sc1cccnc1NCCO 62a_200025704644_200011464885 [0,2,0,0,0,0|1,0,0]=3 3515 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_100012814765_200025704644 [0,2,0,0,0,0|1,0,0]=3 3516 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_200025704644_100012814765 [0,2,0,0,0,0|1,0,0]=3 3517 B12R1.121 [13CH3]Sc1nccnc1NCCO 62a_200011219046_200025704644 [0,2,0,0,0,0|0,0,0]=2 3518 B12R1.121 [13CH3]Sc1nccnc1NCCO 62a_200025704644_200011219046 [0,2,0,0,0,0|0,0,0]=2 3519 B12R1.169 C=C=Cc1nccnc1OCC 271570a_100015277604_200010128176 [0,2,0,0,0,0|1,0,1]=4 3520 B12R1.169 CC=Cc1cccnc1OCC 271570a_100016259895_100011465154 [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.169 CC=Cc1ncccc1CNC 271570a_100016259895_103496529121 [0,2,0,0,0,0|2,0,0]=4 3522 B12R1.169 CC=Cc1ncccc1OCC 271570a_100016259895_100011597540 [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.169 CC=Cc1nccnc1OCC 271570a_100016259895_200010128176 [0,2,0,0,0,0|1,0,0]=3 3524 B12R1.169 CCCc1ncncc1SCC 62a_100000210202_100009816987 [0,2,0,0,0,0|2,0,0]=4 3525 B12R1.169 CCCc1ncncc1SCC 62a_100009816987_100000210202 [0,2,0,0,0,0|2,0,0]=4 3526 B12R1.169 CCCc1ncncc1SCF 62a_100009816987_100015361967 [0,2,0,0,0,0|2,0,0]=4 3527 B12R1.169 CCCc1ncncc1SCF 62a_100015361967_100009816987 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.169 CCNc1ccccc1SCC 34a_100011223125_100000210202 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.169 CCNc1ccccc1SCC 62a_100000210202_114873767003 [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.169 CCNc1ccccc1SCC 62a_114873767003_100000210202 [0,2,0,0,0,0|2,0,0]=4 3531 B12R1.169 CCNc1ccccc1SCF 62a_100015361967_114873767003 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.169 CCNc1ccccc1SCF 62a_114873767003_100015361967 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.169 CCNc1nccnc1OCC 27a_100015525214_200010128176 [0,2,0,0,0,0|0,1,0]=3 3534 B12R1.169 CCOc1ccccc1SCC 62a_100000210202_100000230754 [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.169 CCOc1ccccc1SCC 62a_100000230754_100000210202 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.169 CCOc1ccccc1SCF 62a_100000230754_100015361967 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.169 CCOc1ccccc1SCF 62a_100015361967_100000230754 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.169 CCOc1cccnc1CNC 207a_100102657272_100009876934 [0,2,0,0,0,0|1,1,0]=4 3539 B12R1.169 CCOc1cccnc1CNC 270004a_106832991635_100009876934 [0,2,0,0,0,0|1,1,0]=4 3540 B12R1.169 CCOc1cccnc1OCC 34a_100011998697_100000210202 [0,2,0,0,0,0|1,1,0]=4 3541 B12R1.169 CCOc1cccnc1SCC 62a_100000210202_100011597540 [0,2,0,0,0,0|1,0,0]=3 3542 B12R1.169 CCOc1cccnc1SCC 62a_100011597540_100000210202 [0,2,0,0,0,0|1,0,0]=3 3543 B12R1.169 CCOc1cccnc1SCF 62a_100011597540_100015361967 [0,2,0,0,0,0|1,0,0]=3 3544 B12R1.169 CCOc1cccnc1SCF 62a_100015361967_100011597540 [0,2,0,0,0,0|1,0,0]=3 3545 B12R1.169 CCOc1ncccc1CNC 207a_100102657272_100011290805 [0,2,0,0,0,0|1,1,0]=4 3546 B12R1.169 CCOc1ncccc1CNC 270004a_106832991635_100011290805 [0,2,0,0,0,0|1,1,0]=4 3547 B12R1.169 CCOc1ncccc1OCF 34a_100011998697_100015361967 [0,2,0,0,0,0|1,1,0]=4 3548 B12R1.169 CCOc1ncccc1SCC 62a_100000210202_100011465154 [0,2,0,0,0,0|1,0,0]=3 3549 B12R1.169 CCOc1ncccc1SCC 62a_100011465154_100000210202 [0,2,0,0,0,0|1,0,0]=3 3550 B12R1.169 CCOc1ncccc1SCF 62a_100011465154_100015361967 [0,2,0,0,0,0|1,0,0]=3 3551 B12R1.169 CCOc1ncccc1SCF 62a_100015361967_100011465154 [0,2,0,0,0,0|1,0,0]=3 3552 B12R1.169 CCOc1nccnc1SCC 62a_100000210202_200010128176 [0,2,0,0,0,0|0,0,0]=2 3553 B12R1.169 CCOc1nccnc1SCC 62a_200010128176_100000210202 [0,2,0,0,0,0|0,0,0]=2 3554 B12R1.169 CCOc1nccnc1SCF 62a_100015361967_200010128176 [0,2,0,0,0,0|0,0,0]=2 3555 B12R1.169 CCOc1nccnc1SCF 62a_200010128176_100015361967 [0,2,0,0,0,0|0,0,0]=2 3556 B12R1.169 CCSc1ccccc1CCN 62a_100000210202_100000747383 [0,2,0,0,0,0|2,0,0]=4 3557 B12R1.169 CCSc1ccccc1CCN 62a_100000747383_100000210202 [0,2,0,0,0,0|2,0,0]=4 3558 B12R1.169 CCSc1ccccc1CCO 62a_100000210202_100000731337 [0,2,0,0,0,0|2,0,0]=4 3559 B12R1.169 CCSc1ccccc1CCO 62a_100000731337_100000210202 [0,2,0,0,0,0|2,0,0]=4 3560 B12R1.169 CCSc1ccccc1CNC 62a_100000184654_100000210202 [0,2,0,0,0,0|2,0,0]=4 3561 B12R1.169 CCSc1ccccc1CNC 62a_100000210202_100000184654 [0,2,0,0,0,0|2,0,0]=4 3562 B12R1.169 CCSc1ccccc1COC 62a_100000210202_100011493684 [0,2,0,0,0,0|2,0,0]=4 3563 B12R1.169 CCSc1ccccc1COC 62a_100011493684_100000210202 [0,2,0,0,0,0|2,0,0]=4 3564 B12R1.169 CCSc1ccccc1CSC 62a_100000148299_100000210202 [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.169 CCSc1ccccc1CSC 62a_100000210202_100000148299 [0,2,0,0,0,0|2,0,0]=4 3566 B12R1.169 CCSc1ccccc1SCC 62a_100000210202_100000230856 [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.169 CCSc1ccccc1SCC 62a_100000230856_100000210202 [0,2,0,0,0,0|2,0,0]=4 3568 B12R1.169 CCSc1ccccc1SCF 62a_100000230856_100015361967 [0,2,0,0,0,0|2,0,0]=4 3569 B12R1.169 CCSc1ccccc1SCF 62a_100015361967_100000230856 [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.169 CCSc1cccnc1CC#N 62a_100000210202_100011824415 [0,2,0,0,0,0|1,0,1]=4 3571 B12R1.169 CCSc1cccnc1CC#N 62a_100011824415_100000210202 [0,2,0,0,0,0|1,0,1]=4 3572 B12R1.169 CCSc1ncccc1CC#N 62a_100000096391_100000210202 [0,2,0,0,0,0|1,0,1]=4 3573 B12R1.169 CCSc1ncccc1CC#N 62a_100000210202_100000096391 [0,2,0,0,0,0|1,0,1]=4 3574 B12R1.169 CCSc1ncccc1CNC 62a_100000210202_103496529121 [0,2,0,0,0,0|1,0,0]=3 3575 B12R1.169 CCSc1ncccc1CNC 62a_103496529121_100000210202 [0,2,0,0,0,0|1,0,0]=3 3576 B12R1.169 CNCc1ccccc1SCF 62a_100000184654_100015361967 [0,2,0,0,0,0|2,0,0]=4 3577 B12R1.169 CNCc1ccccc1SCF 62a_100015361967_100000184654 [0,2,0,0,0,0|2,0,0]=4 3578 B12R1.169 CNCc1cccnc1SCF 62a_100015361967_103496529121 [0,2,0,0,0,0|1,0,0]=3 3579 B12R1.169 CNCc1cccnc1SCF 62a_103496529121_100015361967 [0,2,0,0,0,0|1,0,0]=3 3580 B12R1.169 COCc1ccccc1SCF 62a_100011493684_100015361967 [0,2,0,0,0,0|2,0,0]=4 3581 B12R1.169 COCc1ccccc1SCF 62a_100015361967_100011493684 [0,2,0,0,0,0|2,0,0]=4 3582 B12R1.169 CSCc1ccccc1SCF 62a_100000148299_100015361967 [0,2,0,0,0,0|2,0,0]=4 3583 B12R1.169 CSCc1ccccc1SCF 62a_100015361967_100000148299 [0,2,0,0,0,0|2,0,0]=4 3584 B12R1.169 N#CCc1cccnc1SCF 62a_100000096391_100015361967 [0,2,0,0,0,0|1,0,1]=4 3585 B12R1.169 N#CCc1cccnc1SCF 62a_100015361967_100000096391 [0,2,0,0,0,0|1,0,1]=4 3586 B12R1.169 N#CCc1ncccc1SCF 62a_100011824415_100015361967 [0,2,0,0,0,0|1,0,1]=4 3587 B12R1.169 N#CCc1ncccc1SCF 62a_100015361967_100011824415 [0,2,0,0,0,0|1,0,1]=4 3588 B12R1.169 NCCc1ccccc1SCF 62a_100000747383_100015361967 [0,2,0,0,0,0|2,0,0]=4 3589 B12R1.169 NCCc1ccccc1SCF 62a_100015361967_100000747383 [0,2,0,0,0,0|2,0,0]=4 3590 B12R1.169 OCCc1ccccc1SCF 62a_100000731337_100015361967 [0,2,0,0,0,0|2,0,0]=4 3591 B12R1.169 OCCc1ccccc1SCF 62a_100015361967_100000731337 [0,2,0,0,0,0|2,0,0]=4 3592 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,2,0,0,0,0|2,0,0]=4 3593 B12R1.283 C=C(C)c1ncccc1CNC 271570a_100000694244_103496529121 [0,2,0,0,0,0|2,0,0]=4 3594 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,2,0,0,0,0|2,0,0]=4 3595 B12R1.283 C=C(C)c1nccnc1OCC 271570a_100000694244_200010128176 [0,2,0,0,0,0|1,0,0]=3 3596 B12R1.283 CC(=O)c1cccnc1SCF 62a_100000753718_100015361967 [0,2,0,0,0,0|1,0,1]=4 3597 B12R1.283 CC(=O)c1cccnc1SCF 62a_100015361967_100000753718 [0,2,0,0,0,0|1,0,1]=4 3598 B12R1.283 CC(=O)c1ncccc1SCF 62a_100012348690_100015361967 [0,2,0,0,0,0|1,0,1]=4 3599 B12R1.283 CC(=O)c1ncccc1SCF 62a_100015361967_100012348690 [0,2,0,0,0,0|1,0,1]=4 3600 B12R1.283 CC(=O)c1nccnc1SCF 62a_100000099859_100015361967 [0,2,0,0,0,0|0,0,1]=3 3601 B12R1.283 CC(=O)c1nccnc1SCF 62a_100015361967_100000099859 [0,2,0,0,0,0|0,0,1]=3 3602 B12R1.283 CC(C)c1ccccc1SCF 62a_100000708600_100015361967 [0,2,0,0,0,0|2,0,0]=4 3603 B12R1.283 CC(C)c1ccccc1SCF 62a_100015361967_100000708600 [0,2,0,0,0,0|2,0,0]=4 3604 B12R1.283 CC(C)c1cccnc1CO[13CH3] 34a_200009878718_200025704644 [0,2,0,0,0,0|1,1,0]=4 3605 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200025704644_200134614246 [0,2,0,0,0,0|1,0,0]=3 3606 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200134614246_200025704644 [0,2,0,0,0,0|1,0,0]=3 3607 B12R1.283 CC(C)c1cccnc1SCF 62a_100015361967_200010382935 [0,2,0,0,0,0|1,0,0]=3 3608 B12R1.283 CC(C)c1cccnc1SCF 62a_200010382935_100015361967 [0,2,0,0,0,0|1,0,0]=3 3609 B12R1.283 CC(C)c1ncccc1OCF 34a_100012183336_100015361967 [0,2,0,0,0,0|1,1,0]=4 3610 B12R1.283 CC(C)c1ncccc1OCF 7a_100012183336_100015361967 [0,2,0,0,0,0|1,1,0]=4 3611 B12R1.283 CC(C)c1ncncc1SCF 62a_100009816988_100015361967 [0,2,0,0,0,0|2,0,0]=4 3612 B12R1.283 CC(C)c1ncncc1SCF 62a_100015361967_100009816988 [0,2,0,0,0,0|2,0,0]=4 3613 B12R1.283 CC(N)c1ccccc1SCF 62a_100000181357_100015361967 [0,2,0,0,0,0|2,0,0]=4 3614 B12R1.283 CC(N)c1ccccc1SCF 62a_100015361967_100000181357 [0,2,0,0,0,0|2,0,0]=4 3615 B12R1.283 CC(N)c1ncccc1SCF 62a_100015361967_100159271932 [0,2,0,0,0,0|1,0,0]=3 3616 B12R1.283 CC(N)c1ncccc1SCF 62a_100159271932_100015361967 [0,2,0,0,0,0|1,0,0]=3 3617 B12R1.283 CC(O)c1ccccc1SCF 62a_100000702211_100015361967 [0,2,0,0,0,0|2,0,0]=4 3618 B12R1.283 CC(O)c1ccccc1SCF 62a_100015361967_100000702211 [0,2,0,0,0,0|2,0,0]=4 3619 B12R1.283 CC(O)c1cccnc1SCF 62a_100009865335_100015361967 [0,2,0,0,0,0|1,0,0]=3 3620 B12R1.283 CC(O)c1cccnc1SCF 62a_100015361967_100009865335 [0,2,0,0,0,0|1,0,0]=3 3621 B12R1.283 CC=Cc1cccnc1C(C)N 271570a_100016259895_100159271932 [0,2,0,0,0,0|2,0,0]=4 3622 B12R1.283 CC=Cc1cccnc1[C@H](C)O 271570a_100016259895_100013325542 [0,2,0,0,0,0|2,0,0]=4 3623 B12R1.283 CC=Cc1ncccc1C(C)C 271570a_100016259895_200010382935 [0,2,0,0,0,0|2,0,0]=4 3624 B12R1.283 CC=Cc1ncccc1C(C)O 271570a_100016259895_100009865335 [0,2,0,0,0,0|2,0,0]=4 3625 B12R1.283 CC=Cc1nccnc1C(=O)C 271570a_100016259895_100000099859 [0,2,0,0,0,0|1,0,1]=4 3626 B12R1.283 CC=Cc1nccnc1N(C)C 271570a_100016259895_100000703087 [0,2,0,0,0,0|1,0,1]=4 3627 B12R1.283 CCNc1ncccc1C(=O)C 27a_100015525214_100009816689 [0,2,0,0,0,0|2,0,0]=4 3628 B12R1.283 CCNc1nccnc1C(=O)C 27a_100015525214_100000099859 [0,2,0,0,0,0|1,0,0]=3 3629 B12R1.283 CCNc1nccnc1C(=O)N 27a_100015525214_100000094861 [0,2,0,0,0,0|2,0,0]=4 3630 B12R1.283 CCNc1nccnc1N(C)C 27a_100015525214_100000703087 [0,2,0,0,0,0|1,0,0]=3 3631 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,2,0,0,0,0|2,0,0]=4 3632 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,2,0,0,0,0|2,0,0]=4 3633 B12R1.283 CCOc1cccnc1C(C)C 34a_100012183336_100000210202 [0,2,0,0,0,0|1,1,0]=4 3634 B12R1.283 CCOc1cccnc1C(C)C 7a_100012183336_100000210202 [0,2,0,0,0,0|1,1,0]=4 3635 B12R1.283 CCOc1nccnc1C(=O)N 34a_100011830332_100000210202 [0,2,0,0,0,0|2,0,0]=4 3636 B12R1.283 CCOc1nccnc1N(C)C 27a_100102631434_200010128176 [0,2,0,0,0,0|1,0,0]=3 3637 B12R1.283 CCSc1ccccc1C(C)C 62a_100000210202_100000708600 [0,2,0,0,0,0|2,0,0]=4 3638 B12R1.283 CCSc1ccccc1C(C)C 62a_100000708600_100000210202 [0,2,0,0,0,0|2,0,0]=4 3639 B12R1.283 CCSc1ccccc1C(C)N 62a_100000181357_100000210202 [0,2,0,0,0,0|2,0,0]=4 3640 B12R1.283 CCSc1ccccc1C(C)N 62a_100000210202_100000181357 [0,2,0,0,0,0|2,0,0]=4 3641 B12R1.283 CCSc1ccccc1C(C)O 62a_100000210202_100000702211 [0,2,0,0,0,0|2,0,0]=4 3642 B12R1.283 CCSc1ccccc1C(C)O 62a_100000702211_100000210202 [0,2,0,0,0,0|2,0,0]=4 3643 B12R1.283 CCSc1cccnc1C(=O)C 62a_100000210202_100012348690 [0,2,0,0,0,0|1,0,1]=4 3644 B12R1.283 CCSc1cccnc1C(=O)C 62a_100012348690_100000210202 [0,2,0,0,0,0|1,0,1]=4 3645 B12R1.283 CCSc1cccnc1C(C)N 62a_100000210202_100159271932 [0,2,0,0,0,0|1,0,0]=3 3646 B12R1.283 CCSc1cccnc1C(C)N 62a_100159271932_100000210202 [0,2,0,0,0,0|1,0,0]=3 3647 B12R1.283 CCSc1cccnc1C(F)F 62a_100000210202_100010079810 [0,2,0,0,0,0|2,0,0]=4 3648 B12R1.283 CCSc1cccnc1C(F)F 62a_100010079810_100000210202 [0,2,0,0,0,0|2,0,0]=4 3649 B12R1.283 CCSc1cccnc1N(C)C 62a_100000210202_100011465059 [0,2,0,0,0,0|2,0,0]=4 3650 B12R1.283 CCSc1cccnc1N(C)C 62a_100011465059_100000210202 [0,2,0,0,0,0|2,0,0]=4 3651 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100000210202_100013325542 [0,2,0,0,0,0|1,0,0]=3 3652 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100013325542_100000210202 [0,2,0,0,0,0|1,0,0]=3 3653 B12R1.283 CCSc1cncnc1C(C)C 62a_100000210202_100009816988 [0,2,0,0,0,0|2,0,0]=4 3654 B12R1.283 CCSc1cncnc1C(C)C 62a_100009816988_100000210202 [0,2,0,0,0,0|2,0,0]=4 3655 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000210202_100000753718 [0,2,0,0,0,0|1,0,1]=4 3656 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000753718_100000210202 [0,2,0,0,0,0|1,0,1]=4 3657 B12R1.283 CCSc1ncccc1C(C)C 62a_100000210202_200010382935 [0,2,0,0,0,0|1,0,0]=3 3658 B12R1.283 CCSc1ncccc1C(C)C 62a_200010382935_100000210202 [0,2,0,0,0,0|1,0,0]=3 3659 B12R1.283 CCSc1ncccc1C(C)O 62a_100000210202_100009865335 [0,2,0,0,0,0|1,0,0]=3 3660 B12R1.283 CCSc1ncccc1C(C)O 62a_100009865335_100000210202 [0,2,0,0,0,0|1,0,0]=3 3661 B12R1.283 CCSc1ncccc1C(F)F 62a_100000210202_100010136063 [0,2,0,0,0,0|2,0,0]=4 3662 B12R1.283 CCSc1ncccc1C(F)F 62a_100010136063_100000210202 [0,2,0,0,0,0|2,0,0]=4 3663 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000099859_100000210202 [0,2,0,0,0,0|0,0,1]=3 3664 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000210202_100000099859 [0,2,0,0,0,0|0,0,1]=3 3665 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000094861_100000210202 [0,2,0,0,0,0|1,0,1]=4 3666 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000210202_100000094861 [0,2,0,0,0,0|1,0,1]=4 3667 B12R1.283 CCSc1nccnc1N(C)C 62a_100000210202_100000703087 [0,2,0,0,0,0|1,0,0]=3 3668 B12R1.283 CN(C)c1ncccc1SCF 62a_100011465059_100015361967 [0,2,0,0,0,0|2,0,0]=4 3669 B12R1.283 CN(C)c1ncccc1SCF 62a_100015361967_100011465059 [0,2,0,0,0,0|2,0,0]=4 3670 B12R1.283 CN(C)c1nccnc1SCF 62a_100015361967_100000703087 [0,2,0,0,0,0|1,0,0]=3 3671 B12R1.283 CNCc1cccnc1N(C)C 207a_100102657272_100000731630 [0,2,0,0,0,0|2,0,0]=4 3672 B12R1.283 CNCc1cccnc1N(C)C 270004a_106832991635_100000731630 [0,2,0,0,0,0|2,0,0]=4 3673 B12R1.283 CNCc1ncccc1C(C)C 2230a_106832991635_200134614246 [0,2,0,0,0,0|2,0,0]=4 3674 B12R1.283 CNCc1ncccc1C(C)C 34a_100102657272_200134614246 [0,2,0,0,0,0|2,0,0]=4 3675 B12R1.283 CNCc1ncccc1C(C)C 7a_106832991635_200134614246 [0,2,0,0,0,0|2,0,0]=4 3676 B12R1.283 COCc1ncccc1C(C)C 34a_100138415774_200134614246 [0,2,0,0,0,0|1,1,0]=4 3677 B12R1.283 COCc1ncccc1C(C)C 34a_200009878718_200000210301 [0,2,0,0,0,0|1,1,0]=4 3678 B12R1.283 CSCc1ncccc1C(C)C 62a_200000210301_200134614246 [0,2,0,0,0,0|1,0,0]=3 3679 B12R1.283 CSCc1ncccc1C(C)C 62a_200134614246_200000210301 [0,2,0,0,0,0|1,0,0]=3 3680 B12R1.283 C[C@H](O)c1ncccc1SCF 62a_100013325542_100015361967 [0,2,0,0,0,0|1,0,0]=3 3681 B12R1.283 C[C@H](O)c1ncccc1SCF 62a_100015361967_100013325542 [0,2,0,0,0,0|1,0,0]=3 3682 B12R1.283 FCSc1cccnc1C(F)F 62a_100010079810_100015361967 [0,2,0,0,0,0|2,0,0]=4 3683 B12R1.283 FCSc1cccnc1C(F)F 62a_100015361967_100010079810 [0,2,0,0,0,0|2,0,0]=4 3684 B12R1.283 FCSc1ncccc1C(F)F 62a_100010136063_100015361967 [0,2,0,0,0,0|2,0,0]=4 3685 B12R1.283 FCSc1ncccc1C(F)F 62a_100015361967_100010136063 [0,2,0,0,0,0|2,0,0]=4 3686 B12R1.283 NC(=O)c1nccnc1SCF 62a_100000094861_100015361967 [0,2,0,0,0,0|1,0,1]=4 3687 B12R1.283 NC(=O)c1nccnc1SCF 62a_100015361967_100000094861 [0,2,0,0,0,0|1,0,1]=4 3688 B12R1.542 CCOc1cccc(c1SC)C 34a_200000099257_100000210202 [0,2,0,0,0,0|2,0,0]=4 3689 B12R1.542 CCOc1cccc(c1SC)C 7a_200000099257_100000210202 [0,2,0,0,0,0|2,0,0]=4 3690 B12R1.542 CCSc1cccc(c1SC)F 62a_100000210202_200010709249 [0,2,0,0,0,0|2,0,0]=4 3691 B12R1.542 CCSc1cccc(c1SC)F 62a_200010709249_100000210202 [0,2,0,0,0,0|2,0,0]=4 3692 B12R1.542 CCSc1nccc(c1OC)N 62a_100000104429_100000210202 [0,2,0,0,0,0|1,1,0]=4 3693 B12R1.542 CCSc1nccc(c1OC)N 62a_100000210202_100000104429 [0,2,0,0,0,0|1,1,0]=4 3694 B12R1.542 CCSc1nccc(c1OC)O 62a_100000210202_100000104430 [0,2,0,0,0,0|1,1,0]=4 3695 B12R1.542 CNCc1nccc(c1OC)Cl 2230a_106832991635_100015371371 [0,2,0,0,0,0|1,1,0]=4 3696 B12R1.542 CNCc1nccc(c1OC)Cl 34a_100102657272_100015371371 [0,2,0,0,0,0|1,1,0]=4 3697 B12R1.542 CNCc1nccc(c1OC)Cl 7a_106832991635_100015371371 [0,2,0,0,0,0|1,1,0]=4 3698 B12R1.542 COCc1nccc(c1OC)Cl 34a_100009869429_200000210301 [0,2,0,0,0,0|1,1,0]=4 3699 B12R1.542 COCc1nccc(c1OC)Cl 34a_100138415774_100015371371 [0,2,0,0,0,0|1,1,0]=4 3700 B12R1.542 COc1c(ccnc1CO[13CH3])Cl 34a_100009869429_200025704644 [0,2,0,0,0,0|1,1,0]=4 3701 B12R1.542 COc1c(ccnc1CSC)Cl 62a_100015371371_200000210301 [0,2,0,0,0,0|1,1,0]=4 3702 B12R1.542 COc1c(ccnc1CSC)Cl 62a_200000210301_100015371371 [0,2,0,0,0,0|1,1,0]=4 3703 B12R1.542 COc1c(ccnc1CS[13CH3])Cl 62a_100015371371_200025704644 [0,2,0,0,0,0|1,1,0]=4 3704 B12R1.542 COc1c(ccnc1CS[13CH3])Cl 62a_200025704644_100015371371 [0,2,0,0,0,0|1,1,0]=4 3705 B12R1.542 COc1c(ccnc1SCF)N 62a_100000104429_100015361967 [0,2,0,0,0,0|2,0,0]=4 3706 B12R1.542 COc1c(ccnc1SCF)N 62a_100015361967_100000104429 [0,2,0,0,0,0|2,0,0]=4 3707 B12R1.542 COc1c(ccnc1SCF)O 62a_100015361967_100000104430 [0,2,0,0,0,0|2,0,0]=4 3708 B12R1.1112 CCOc1c(cccc1SC)F 62a_100010232518_200000210301 [0,2,0,0,0,0|2,0,0]=4 3709 B12R1.1112 CCOc1c(cccc1SC)F 62a_200000210301_100010232518 [0,2,0,0,0,0|2,0,0]=4 3710 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_100010232518_200025704644 [0,2,0,0,0,0|2,0,0]=4 3711 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_200025704644_100010232518 [0,2,0,0,0,0|2,0,0]=4 3712 B12R1.1112 CCSc1c(cccc1CC)C 62a_100000036235_100000210202 [0,2,0,0,0,0|2,0,0]=4 3713 B12R1.1112 CCSc1c(cccc1CC)C 62a_100000210202_100000036235 [0,2,0,0,0,0|2,0,0]=4 3714 B12R1.1112 CCSc1c(ccnc1OC)C 62a_100000210202_100012353928 [0,2,0,0,0,0|1,1,0]=4 3715 B12R1.1112 CCSc1c(ccnc1OC)C 62a_100012353928_100000210202 [0,2,0,0,0,0|1,1,0]=4 3716 B12R1.1112 CCSc1c(ccnc1OC)N 62a_100000210202_100010243811 [0,2,0,0,0,0|1,1,0]=4 3717 B12R1.1112 CCSc1c(ccnc1OC)N 62a_100010243811_100000210202 [0,2,0,0,0,0|1,1,0]=4 3718 B12R1.1112 CCc1cccc(c1SCF)C 62a_100000036235_100015361967 [0,2,0,0,0,0|2,0,0]=4 3719 B12R1.1112 CCc1cccc(c1SCF)C 62a_100015361967_100000036235 [0,2,0,0,0,0|2,0,0]=4 3720 B12R1.1112 CNCc1c(cccc1SC)F 62a_106744473292_200000210301 [0,2,0,0,0,0|2,0,0]=4 3721 B12R1.1112 CNCc1c(cccc1SC)F 62a_200000210301_106744473292 [0,2,0,0,0,0|2,0,0]=4 3722 B12R1.1112 CNCc1c(cccc1S[13CH3])F 62a_106744473292_200025704644 [0,2,0,0,0,0|2,0,0]=4 3723 B12R1.1112 CNCc1c(cccc1S[13CH3])F 62a_200025704644_106744473292 [0,2,0,0,0,0|2,0,0]=4 3724 B12R1.1112 CNCc1c(ccnc1OC)Cl 207a_100102657272_100009849443 [0,2,0,0,0,0|1,1,0]=4 3725 B12R1.1112 CNCc1c(ccnc1OC)Cl 270004a_106832991635_100009849443 [0,2,0,0,0,0|1,1,0]=4 3726 B12R1.1112 CNCc1c(ccnc1OC)I 207a_100102657272_100010160771 [0,2,0,0,0,0|1,1,0]=4 3727 B12R1.1112 COc1nccc(c1SCF)C 62a_100012353928_100015361967 [0,2,0,0,0,0|2,0,0]=4 3728 B12R1.1112 COc1nccc(c1SCF)C 62a_100015361967_100012353928 [0,2,0,0,0,0|2,0,0]=4 3729 B12R1.1112 COc1nccc(c1SCF)N 62a_100010243811_100015361967 [0,2,0,0,0,0|2,0,0]=4 3730 B12R1.1112 COc1nccc(c1SCF)N 62a_100015361967_100010243811 [0,2,0,0,0,0|2,0,0]=4 3731 B12R1.76 CC(C)(C)c1ccccc1S[13CH3] 62a_100012339570_200025704644 [0,2,0,0,0,0|2,0,0]=4 3732 B12R1.76 CC(C)(C)c1ccccc1S[13CH3] 62a_200025704644_100012339570 [0,2,0,0,0,0|2,0,0]=4 3733 B12R1.76 CC(C)(C)c1ncncc1S[13CH3] 62a_200010089871_200025704644 [0,2,0,0,0,0|2,0,0]=4 3734 B12R1.76 CC(C)(C)c1ncncc1S[13CH3] 62a_200025704644_200010089871 [0,2,0,0,0,0|2,0,0]=4 3735 B12R1.76 CC(C)(N)c1ccccc1S[13CH3] 62a_100020606264_200025704644 [0,2,0,0,0,0|2,0,0]=4 3736 B12R1.76 CC(C)(N)c1ccccc1S[13CH3] 62a_200025704644_100020606264 [0,2,0,0,0,0|2,0,0]=4 3737 B12R1.76 CC(C)(O)c1ccccc1S[13CH3] 62a_100011346021_200025704644 [0,2,0,0,0,0|2,0,0]=4 3738 B12R1.76 CC(C)(O)c1ccccc1S[13CH3] 62a_200025704644_100011346021 [0,2,0,0,0,0|2,0,0]=4 3739 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_100010080783_200025704644 [0,2,0,0,0,0|1,0,0]=3 3740 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_200025704644_100010080783 [0,2,0,0,0,0|1,0,0]=3 3741 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200010080787_200025704644 [0,2,0,0,0,0|1,0,0]=3 3742 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200025704644_200010080787 [0,2,0,0,0,0|1,0,0]=3 3743 B12R1.76 CC(F)(F)c1ccccc1S[13CH3] 62a_100010220483_200025704644 [0,2,0,0,0,0|2,0,0]=4 3744 B12R1.76 CC(F)(F)c1ccccc1S[13CH3] 62a_200025704644_100010220483 [0,2,0,0,0,0|2,0,0]=4 3745 B12R1.76 CNc1nccnc1C(F)(F)F 27a_100102657272_100010291561 [0,2,0,0,0,0|2,0,0]=4 3746 B12R1.76 COc1nccnc1C(F)(F)F 34a_200009888604_200000210301 [0,2,0,0,0,0|1,1,0]=4 3747 B12R1.76 CS(=O)(=O)c1ncccc1S[13CH3] 62a_100009830116_200025704644 [0,2,0,0,0,0|2,0,0]=4 3748 B12R1.76 CS(=O)(=O)c1ncccc1S[13CH3] 62a_200025704644_100009830116 [0,2,0,0,0,0|2,0,0]=4 3749 B12R1.76 CSc1ccccc1C(C)(C)C 62a_100012339570_200000210301 [0,2,0,0,0,0|2,0,0]=4 3750 B12R1.76 CSc1ccccc1C(C)(C)C 62a_200000210301_100012339570 [0,2,0,0,0,0|2,0,0]=4 3751 B12R1.76 CSc1ccccc1C(C)(C)N 62a_100020606264_200000210301 [0,2,0,0,0,0|2,0,0]=4 3752 B12R1.76 CSc1ccccc1C(C)(C)N 62a_200000210301_100020606264 [0,2,0,0,0,0|2,0,0]=4 3753 B12R1.76 CSc1ccccc1C(C)(C)O 62a_100011346021_200000210301 [0,2,0,0,0,0|2,0,0]=4 3754 B12R1.76 CSc1ccccc1C(C)(C)O 62a_200000210301_100011346021 [0,2,0,0,0,0|2,0,0]=4 3755 B12R1.76 CSc1ccccc1C(C)(F)F 62a_100010220483_200000210301 [0,2,0,0,0,0|2,0,0]=4 3756 B12R1.76 CSc1ccccc1C(C)(F)F 62a_200000210301_100010220483 [0,2,0,0,0,0|2,0,0]=4 3757 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200000210301_200010080787 [0,2,0,0,0,0|1,0,0]=3 3758 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200010080787_200000210301 [0,2,0,0,0,0|1,0,0]=3 3759 B12R1.76 CSc1cccnc1C(F)(F)F 62a_100009816963_200000210301 [0,2,0,0,0,0|2,0,0]=4 3760 B12R1.76 CSc1cccnc1C(F)(F)F 62a_200000210301_100009816963 [0,2,0,0,0,0|2,0,0]=4 3761 B12R1.76 CSc1cccnc1S(=O)(=O)C 62a_100009830116_200000210301 [0,2,0,0,0,0|2,0,0]=4 3762 B12R1.76 CSc1cccnc1S(=O)(=O)C 62a_200000210301_100009830116 [0,2,0,0,0,0|2,0,0]=4 3763 B12R1.76 CSc1cncnc1C(C)(C)C 62a_200000210301_200010089871 [0,2,0,0,0,0|2,0,0]=4 3764 B12R1.76 CSc1cncnc1C(C)(C)C 62a_200010089871_200000210301 [0,2,0,0,0,0|2,0,0]=4 3765 B12R1.76 CSc1ncccc1C(C)(C)O 62a_100010080783_200000210301 [0,2,0,0,0,0|1,0,0]=3 3766 B12R1.76 CSc1ncccc1C(C)(C)O 62a_200000210301_100010080783 [0,2,0,0,0,0|1,0,0]=3 3767 B12R1.76 CSc1ncccc1C(F)(F)F 62a_100000212047_200000210301 [0,2,0,0,0,0|2,0,0]=4 3768 B12R1.76 CSc1ncccc1C(F)(F)F 62a_200000210301_100000212047 [0,2,0,0,0,0|2,0,0]=4 3769 B12R1.76 CSc1nccnc1C(F)(F)F 62a_100010291561_200000210301 [0,2,0,0,0,0|1,0,0]=3 3770 B12R1.76 CSc1nccnc1C(F)(F)F 62a_200000210301_100010291561 [0,2,0,0,0,0|1,0,0]=3 3771 B12R1.76 [13CH3]Oc1nccnc1C(F)(F)F 34a_200009888604_200025704644 [0,2,0,0,0,0|1,1,0]=4 3772 B12R1.76 [13CH3]Sc1cccnc1C(F)(F)F 62a_100009816963_200025704644 [0,2,0,0,0,0|2,0,0]=4 3773 B12R1.76 [13CH3]Sc1cccnc1C(F)(F)F 62a_200025704644_100009816963 [0,2,0,0,0,0|2,0,0]=4 3774 B12R1.76 [13CH3]Sc1ncccc1C(F)(F)F 62a_100000212047_200025704644 [0,2,0,0,0,0|2,0,0]=4 3775 B12R1.76 [13CH3]Sc1ncccc1C(F)(F)F 62a_200025704644_100000212047 [0,2,0,0,0,0|2,0,0]=4 3776 B12R1.76 [13CH3]Sc1nccnc1C(F)(F)F 62a_100010291561_200025704644 [0,2,0,0,0,0|1,0,0]=3 3777 B12R1.76 [13CH3]Sc1nccnc1C(F)(F)F 62a_200025704644_100010291561 [0,2,0,0,0,0|1,0,0]=3 3778 B12R1.261 C=C(C)c1cccnc1C(C)N 271570a_100000694244_100159271932 [0,2,0,0,0,0|2,0,0]=4 3779 B12R1.261 C=C(C)c1cccnc1[C@H](C)O 271570a_100000694244_100013325542 [0,2,0,0,0,0|2,0,0]=4 3780 B12R1.261 C=C(C)c1ncccc1C(C)C 271570a_100000694244_200010382935 [0,2,0,0,0,0|2,0,0]=4 3781 B12R1.261 C=C(C)c1ncccc1C(C)O 271570a_100000694244_100009865335 [0,2,0,0,0,0|2,0,0]=4 3782 B12R1.261 C=C(C)c1nccnc1C(=O)C 271570a_100000694244_100000099859 [0,2,0,0,0,0|1,0,1]=4 3783 B12R1.261 C=C(C)c1nccnc1N(C)C 271570a_100000694244_100000703087 [0,2,0,0,0,0|1,0,1]=4 3784 B12R1.261 CC(=O)c1nccnc1N(C)C 27a_100102631434_100000099859 [0,2,0,0,0,0|1,0,1]=4 3785 B12R1.261 CN(C)c1nccnc1N(C)C 27a_100102631434_100000703087 [0,2,0,0,0,0|2,0,0]=4 3786 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200010729368_200025704644 [0,2,0,0,0,0|1,0,1]=4 3787 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_200010729368 [0,2,0,0,0,0|1,0,1]=4 3788 B12R1.437 CC(C)c1c(ncnc1S[13CH3])N 62a_200011913463_200025704644 [0,2,0,0,0,0|2,0,0]=4 3789 B12R1.437 CC(C)c1c(ncnc1S[13CH3])N 62a_200025704644_200011913463 [0,2,0,0,0,0|2,0,0]=4 3790 B12R1.437 CC(O)c1c(cccc1S[13CH3])F 62a_100013085324_200025704644 [0,2,0,0,0,0|2,0,0]=4 3791 B12R1.437 CC(O)c1c(cccc1S[13CH3])F 62a_200025704644_100013085324 [0,2,0,0,0,0|2,0,0]=4 3792 B12R1.437 CSc1cccc(c1C(C)O)F 62a_100013085324_200000210301 [0,2,0,0,0,0|2,0,0]=4 3793 B12R1.437 CSc1cccc(c1C(C)O)F 62a_200000210301_100013085324 [0,2,0,0,0,0|2,0,0]=4 3794 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200000210301_200010729368 [0,2,0,0,0,0|1,0,1]=4 3795 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200010729368_200000210301 [0,2,0,0,0,0|1,0,1]=4 3796 B12R1.437 CSc1ncnc(c1C(C)C)N 62a_200000210301_200011913463 [0,2,0,0,0,0|2,0,0]=4 3797 B12R1.437 CSc1ncnc(c1C(C)C)N 62a_200011913463_200000210301 [0,2,0,0,0,0|2,0,0]=4 3798 B12R1.1879 CCc1cccc(c1SC)CC 62a_100010212195_200000210301 [0,2,0,0,0,0|2,0,0]=4 3799 B12R1.1879 CCc1cccc(c1SC)CC 62a_200000210301_100010212195 [0,2,0,0,0,0|2,0,0]=4 3800 B12R1.1879 CCc1cccc(c1S[13CH3])CC 62a_100010212195_200025704644 [0,2,0,0,0,0|2,0,0]=4 3801 B12R1.1879 CCc1cccc(c1S[13CH3])CC 62a_200025704644_100010212195 [0,2,0,0,0,0|2,0,0]=4 3802 B12R1.1879 COc1c(ccnc1SC)C=O 62a_200000210301_100009863717 [0,2,0,0,0,0|2,0,0]=4 3803 B12R1.1879 COc1c(ccnc1SC)C=O 62a_200009814792_200000210301 [0,2,0,0,0,0|2,0,0]=4 3804 B12R1.1879 COc1c(ccnc1S[13CH3])C=O 62a_200009814792_200025704644 [0,2,0,0,0,0|2,0,0]=4 3805 B12R1.1879 COc1c(ccnc1S[13CH3])C=O 62a_200025704644_100009863717 [0,2,0,0,0,0|2,0,0]=4 3806 B12R1.1879 COc1ccnc(c1SC)OC 62a_100010114374_200000210301 [0,2,0,0,0,0|2,0,0]=4 3807 B12R1.1879 COc1ccnc(c1SC)OC 62a_200000210301_100010114374 [0,2,0,0,0,0|2,0,0]=4 3808 B12R1.1879 COc1ccnc(c1S[13CH3])OC 62a_100010114374_200025704644 [0,2,0,0,0,0|2,0,0]=4 3809 B12R1.1879 COc1ccnc(c1S[13CH3])OC 62a_200025704644_100010114374 [0,2,0,0,0,0|2,0,0]=4 3810 B12R1.1879 COc1nccc(c1SC)C#N 62a_200000210301_200000050020 [0,2,0,0,0,0|2,0,0]=4 3811 B12R1.1879 COc1nccc(c1S[13CH3])C#N 62a_200025704644_200000050020 [0,2,0,0,0,0|2,0,0]=4 3812 B10R1.176 CSc1cc(c(cn1)Br)C 62a_100012356354_200000210301 [0,0,1,1,0,0|1,0,1]=4 3813 B10R1.176 CSc1cc(c(cn1)Br)C 62a_200000210301_100012356354 [0,0,1,1,0,0|1,0,1]=4 3814 B10R1.176 CSc1cc(c(cn1)C)C 62a_100009850809_200000210301 [0,0,1,1,0,0|1,0,1]=4 3815 B10R1.176 CSc1cc(c(cn1)C)C 62a_200000210301_100009850809 [0,0,1,1,0,0|1,0,1]=4 3816 B10R1.176 CSc1cc(c(cn1)F)C 62a_100009818257_200000210301 [0,0,1,1,0,0|1,0,1]=4 3817 B10R1.176 CSc1cc(c(cn1)F)C 62a_200000210301_100009818257 [0,0,1,1,0,0|1,0,1]=4 3818 B10R1.176 CSc1cc(c(cn1)N)C 62a_100000067204_200000210301 [0,0,1,1,0,0|0,0,2]=4 3819 B10R1.176 CSc1cc(c(cn1)N)C 62a_200000210301_100000067204 [0,0,1,1,0,0|0,0,2]=4 3820 B10R1.176 CSc1cc(c(cn1)O)C 62a_200000210301_100000692680 [0,0,1,1,0,0|1,0,1]=4 3821 B10R1.176 CSc1cn(c(=O)cn1)C 62a_100009843036_200000210301 [0,0,1,1,0,0|2,0,0]=4 3822 B10R1.176 CSc1cn(c(=O)cn1)C 62a_200000210301_100009843036 [0,0,1,1,0,0|2,0,0]=4 3823 B10R1.176 Cc1cc(ncc1Br)S[13CH3] 62a_100012356354_200025704644 [0,0,1,1,0,0|1,0,1]=4 3824 B10R1.176 Cc1cc(ncc1Br)S[13CH3] 62a_200025704644_100012356354 [0,0,1,1,0,0|1,0,1]=4 3825 B10R1.176 Cc1cc(ncc1F)S[13CH3] 62a_100009818257_200025704644 [0,0,1,1,0,0|1,0,1]=4 3826 B10R1.176 Cc1cc(ncc1F)S[13CH3] 62a_200025704644_100009818257 [0,0,1,1,0,0|1,0,1]=4 3827 B10R1.176 Cc1cc(ncc1N)S[13CH3] 62a_100000067204_200025704644 [0,0,1,1,0,0|0,0,2]=4 3828 B10R1.176 Cc1cc(ncc1N)S[13CH3] 62a_200025704644_100000067204 [0,0,1,1,0,0|0,0,2]=4 3829 B10R1.176 Cc1cc(ncc1O)S[13CH3] 62a_200025704644_100000692680 [0,0,1,1,0,0|1,0,1]=4 3830 B10R1.176 Cc1cnc(cc1C)S[13CH3] 62a_100009850809_200025704644 [0,0,1,1,0,0|1,0,1]=4 3831 B10R1.176 Cc1cnc(cc1C)S[13CH3] 62a_200025704644_100009850809 [0,0,1,1,0,0|1,0,1]=4 3832 B10R1.176 Cn1cc(ncc1=O)S[13CH3] 62a_100009843036_200025704644 [0,0,1,1,0,0|2,0,0]=4 3833 B10R1.176 Cn1cc(ncc1=O)S[13CH3] 62a_200025704644_100009843036 [0,0,1,1,0,0|2,0,0]=4 3834 B10R1.21 CCNN=Cc1cscn1 4a_100000756455_100000743575 [0,0,1,1,0,0|1,0,1]=4 3835 B12R2.24 CN1CCc2cccnc2C1 2230a_100015206102_200000210301 [0,1,0,1,0,0|2,0,0]=4 3836 B12R2.24 CN1CCc2cccnc2C1 269982a_100015206102_200000210301 [0,1,0,1,0,0|2,0,0]=4 3837 B12R2.24 CN1CCc2ncccc2C1 2230a_100000699647_200000210301 [0,1,0,1,0,0|2,0,0]=4 3838 B12R2.24 CN1CCc2ncccc2C1 269982a_100000699647_200000210301 [0,1,0,1,0,0|2,0,0]=4 3839 B12R2.24 Oc1ccc2c(n1)CCCC2 271570a_203496583355_100000046135 [0,1,0,1,0,0|2,0,0]=4 3840 B12R2.24 Oc1ccc2c(n1)CCCN2 271570a_203496583355_100010277722 [0,1,0,1,0,0|2,0,0]=4 3841 B12R2.24 Oc1ccc2c(n1)NCCC2 271570a_203496583355_100009952728 [0,1,0,1,0,0|2,0,0]=4 3842 B12R2.24 Oc1cnc2c(c1)CCCC2 271570a_203496583355_100010236098 [0,1,0,1,0,0|2,0,0]=4 3843 B12R2.24 Oc1cnc2c(c1)CCCO2 271570a_203496583355_100010109689 [0,1,0,1,0,0|1,1,0]=4 3844 B12R2.24 [13CH3]N1CCc2cccnc2C1 2230a_100015206102_200025704644 [0,1,0,1,0,0|2,0,0]=4 3845 B12R2.24 [13CH3]N1CCc2cccnc2C1 269982a_100015206102_200025704644 [0,1,0,1,0,0|2,0,0]=4 3846 B12R2.24 [13CH3]N1CCc2ncccc2C1 2230a_100000699647_200025704644 [0,1,0,1,0,0|2,0,0]=4 3847 B12R2.24 [13CH3]N1CCc2ncccc2C1 269982a_100000699647_200025704644 [0,1,0,1,0,0|2,0,0]=4 3848 B12R2.612 CN1CCc2c1ncc(c2)O 271570a_203496583355_200010383199 [0,1,0,1,0,0|2,0,0]=4 3849 B12R2.1 CNc1csc2c1nccn2 27a_100102657272_100010174841 [0,1,0,1,0,0|0,0,2]=4 3850 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,1,0,1,0,0|2,0,0]=4 3851 B12R2.1 CSc1c[nH]c2c1nccn2 62a_200000210301_100009819587 [0,1,0,1,0,0|1,0,1]=4 3852 B12R2.1 CSc1csc2c1nccn2 62a_200000210301_100010174841 [0,1,0,1,0,0|0,0,2]=4 3853 B12R2.1 CSc1n[nH]c2c1nccn2 62a_200000210301_100009819591 [0,1,0,1,0,0|2,0,0]=4 3854 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,1,0,1,0,0|2,0,0]=4 3855 B12R2.1 [13CH3]Sc1c[nH]c2c1nccn2 62a_200025704644_100009819587 [0,1,0,1,0,0|1,0,1]=4 3856 B12R2.1 [13CH3]Sc1csc2c1nccn2 62a_200025704644_100010174841 [0,1,0,1,0,0|0,0,2]=4 3857 B12R2.1 [13CH3]Sc1n[nH]c2c1nccn2 62a_200025704644_100009819591 [0,1,0,1,0,0|2,0,0]=4 3858 B12R2.315 CSc1cccc2c1CCC2 62a_100010343934_200000210301 [0,1,0,1,0,0|2,0,0]=4 3859 B12R2.315 CSc1cccc2c1CCC2 62a_200000210301_100010343934 [0,1,0,1,0,0|2,0,0]=4 3860 B12R2.315 CSc1cccc2c1CCN2 62a_100009817896_200000210301 [0,1,0,1,0,0|2,0,0]=4 3861 B12R2.315 CSc1cccc2c1CCN2 62a_200000210301_100009817896 [0,1,0,1,0,0|2,0,0]=4 3862 B12R2.315 CSc1cccc2c1CCO2 62a_100009819624_200000210301 [0,1,0,1,0,0|2,0,0]=4 3863 B12R2.315 CSc1cccc2c1CCO2 62a_200000210301_100009819624 [0,1,0,1,0,0|2,0,0]=4 3864 B12R2.315 CSc1cccc2c1CNC2 62a_100000703859_200000210301 [0,1,0,1,0,0|2,0,0]=4 3865 B12R2.315 CSc1cccc2c1CNC2 62a_200000210301_100000703859 [0,1,0,1,0,0|2,0,0]=4 3866 B12R2.315 CSc1cccc2c1COC2 62a_100010384907_200000210301 [0,1,0,1,0,0|2,0,0]=4 3867 B12R2.315 CSc1cccc2c1COC2 62a_200000210301_100010384907 [0,1,0,1,0,0|2,0,0]=4 3868 B12R2.315 CSc1cccc2c1NCC2 62a_100016995435_200000210301 [0,1,0,1,0,0|2,0,0]=4 3869 B12R2.315 CSc1cccc2c1NCC2 62a_200000210301_100016995435 [0,1,0,1,0,0|2,0,0]=4 3870 B12R2.315 CSc1cccc2c1OCC2 62a_100009818991_200000210301 [0,1,0,1,0,0|2,0,0]=4 3871 B12R2.315 CSc1cccc2c1OCC2 62a_200000210301_100009818991 [0,1,0,1,0,0|2,0,0]=4 3872 B12R2.315 CSc1nccc2c1CCN2 62a_100000104060_200000210301 [0,1,0,1,0,0|1,0,0]=3 3873 B12R2.315 CSc1nccc2c1CCN2 62a_200000210301_100000104060 [0,1,0,1,0,0|1,0,0]=3 3874 B12R2.315 CSc1ncnc2c1CCC2 62a_100000750143_200000210301 [0,1,0,1,0,0|2,0,0]=4 3875 B12R2.315 CSc1ncnc2c1CCC2 62a_200000210301_100000750143 [0,1,0,1,0,0|2,0,0]=4 3876 B12R2.315 CSc1ncnc2c1CCN2 62a_200000104052_200000210301 [0,1,0,1,0,0|2,0,0]=4 3877 B12R2.315 CSc1ncnc2c1CCN2 62a_200000210301_200000104052 [0,1,0,1,0,0|2,0,0]=4 3878 B12R2.315 [13CH3]Sc1cccc2c1CCC2 62a_100010343934_200025704644 [0,1,0,1,0,0|2,0,0]=4 3879 B12R2.315 [13CH3]Sc1cccc2c1CCC2 62a_200025704644_100010343934 [0,1,0,1,0,0|2,0,0]=4 3880 B12R2.315 [13CH3]Sc1cccc2c1CCN2 62a_100009817896_200025704644 [0,1,0,1,0,0|2,0,0]=4 3881 B12R2.315 [13CH3]Sc1cccc2c1CCN2 62a_200025704644_100009817896 [0,1,0,1,0,0|2,0,0]=4 3882 B12R2.315 [13CH3]Sc1cccc2c1CCO2 62a_100009819624_200025704644 [0,1,0,1,0,0|2,0,0]=4 3883 B12R2.315 [13CH3]Sc1cccc2c1CCO2 62a_200025704644_100009819624 [0,1,0,1,0,0|2,0,0]=4 3884 B12R2.315 [13CH3]Sc1cccc2c1CNC2 62a_100000703859_200025704644 [0,1,0,1,0,0|2,0,0]=4 3885 B12R2.315 [13CH3]Sc1cccc2c1CNC2 62a_200025704644_100000703859 [0,1,0,1,0,0|2,0,0]=4 3886 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_100010384907_200025704644 [0,1,0,1,0,0|2,0,0]=4 3887 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_200025704644_100010384907 [0,1,0,1,0,0|2,0,0]=4 3888 B12R2.315 [13CH3]Sc1cccc2c1NCC2 62a_100016995435_200025704644 [0,1,0,1,0,0|2,0,0]=4 3889 B12R2.315 [13CH3]Sc1cccc2c1NCC2 62a_200025704644_100016995435 [0,1,0,1,0,0|2,0,0]=4 3890 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_100009818991_200025704644 [0,1,0,1,0,0|2,0,0]=4 3891 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_200025704644_100009818991 [0,1,0,1,0,0|2,0,0]=4 3892 B12R2.315 [13CH3]Sc1nccc2c1CCN2 62a_100000104060_200025704644 [0,1,0,1,0,0|1,0,0]=3 3893 B12R2.315 [13CH3]Sc1nccc2c1CCN2 62a_200025704644_100000104060 [0,1,0,1,0,0|1,0,0]=3 3894 B12R2.315 [13CH3]Sc1ncnc2c1CCC2 62a_100000750143_200025704644 [0,1,0,1,0,0|2,0,0]=4 3895 B12R2.315 [13CH3]Sc1ncnc2c1CCC2 62a_200025704644_100000750143 [0,1,0,1,0,0|2,0,0]=4 3896 B12R2.315 [13CH3]Sc1ncnc2c1CCN2 62a_200000104052_200025704644 [0,1,0,1,0,0|2,0,0]=4 3897 B12R2.315 [13CH3]Sc1ncnc2c1CCN2 62a_200025704644_200000104052 [0,1,0,1,0,0|2,0,0]=4 3898 B12R2.2048 CCc1ncccc1C2CC2 271570a_100011220607_100009877225 [0,1,0,1,0,0|2,0,0]=4 3899 B12R2.2048 CCc1nccnc1C2CC2 271570a_100011220607_100011995844 [0,1,0,1,0,0|1,0,0]=3 3900 B12R2.2048 CNc1cccnc1C2CC2 271570a_100011220607_200011806188 [0,1,0,1,0,0|2,0,0]=4 3901 B12R2.2048 CNc1ncccc1C2CC2 271570a_100011220607_100000700899 [0,1,0,1,0,0|2,0,0]=4 3902 B12R2.2048 CNc1nccnc1C2CC2 271570a_100011220607_100011529439 [0,1,0,1,0,0|1,0,0]=3 3903 B12R2.2048 COc1cccnc1C2CC2 271570a_100011220607_100000690851 [0,1,0,1,0,0|1,1,0]=4 3904 B12R2.2048 COc1ncccc1C2CC2 271570a_100011220607_100000047025 [0,1,0,1,0,0|1,1,0]=4 3905 B12R2.2048 COc1nccnc1C2CC2 271570a_100011220607_100000749998 [0,1,0,1,0,0|0,1,0]=3 3906 B12R2.2048 CSc1ccccc1C2CC2 271570a_100011220607_100011217816 [0,1,0,1,0,0|2,0,0]=4 3907 B12R2.2048 CSc1ccccc1C2CC2 62a_100009819954_200000210301 [0,1,0,1,0,0|2,0,0]=4 3908 B12R2.2048 CSc1ccccc1C2CC2 62a_200000210301_100009819954 [0,1,0,1,0,0|2,0,0]=4 3909 B12R2.2048 CSc1cncnc1C2CC2 62a_200000210301_200009889426 [0,1,0,1,0,0|2,0,0]=4 3910 B12R2.2048 CSc1cncnc1C2CC2 62a_200009889426_200000210301 [0,1,0,1,0,0|2,0,0]=4 3911 B12R2.2048 CSc1ncccc1C2CC2 271570a_100011220607_100011465278 [0,1,0,1,0,0|1,0,0]=3 3912 B12R2.2048 CSc1ncccc1C2CC2 62a_200000210301_100009851976 [0,1,0,1,0,0|1,0,0]=3 3913 B12R2.2048 CSc1ncccc1C2CC2 62a_200009850273_200000210301 [0,1,0,1,0,0|1,0,0]=3 3914 B12R2.2048 N#Cc1nccnc1C2CC2 271570a_100011220607_100000040484 [0,1,0,1,0,0|2,0,0]=4 3915 B12R2.2048 NCc1nccnc1C2CC2 271570a_100011220607_100000729963 [0,1,0,1,0,0|2,0,0]=4 3916 B12R2.2048 NNc1nccnc1C2CC2 271570a_100011220607_100000755098 [0,1,0,1,0,0|2,0,0]=4 3917 B12R2.2048 OCc1nccnc1C2CC2 271570a_100011220607_100000057004 [0,1,0,1,0,0|2,0,0]=4 3918 B12R2.2048 [13CH3]Sc1ccccc1C2CC2 62a_100009819954_200025704644 [0,1,0,1,0,0|2,0,0]=4 3919 B12R2.2048 [13CH3]Sc1ccccc1C2CC2 62a_200025704644_100009819954 [0,1,0,1,0,0|2,0,0]=4 3920 B12R2.2048 [13CH3]Sc1cncnc1C2CC2 62a_200009889426_200025704644 [0,1,0,1,0,0|2,0,0]=4 3921 B12R2.2048 [13CH3]Sc1cncnc1C2CC2 62a_200025704644_200009889426 [0,1,0,1,0,0|2,0,0]=4 3922 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200009850273_200025704644 [0,1,0,1,0,0|1,0,0]=3 3923 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200025704644_100009851976 [0,1,0,1,0,0|1,0,0]=3 3924 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,0,0,0,1,0|1,1,0]=4 3925 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [1,0,0,0,1,0|1,1,0]=4 3926 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [1,0,0,0,1,0|1,1,0]=4 3927 B8R1.11 CCn1ncnc1O 271570a_203496583355_100009879425 [1,0,0,0,1,0|1,1,0]=4 3928 B8R1.11 CNc1ncnn1C 27a_100102657272_100000732653 [1,0,0,0,1,0|2,0,0]=4 3929 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [1,0,0,0,1,0|1,1,0]=4 3930 B8R1.11 CSc1[nH]cnc1Cl 62a_100010200774_200000210301 [1,0,0,0,1,0|1,0,1]=4 3931 B8R1.11 CSc1[nH]cnc1Cl 62a_200000210301_100010200774 [1,0,0,0,1,0|1,0,1]=4 3932 B8R1.11 CSc1c[nH]nc1Br 62a_100011012988_200000210301 [1,0,0,0,1,0|2,0,0]=4 3933 B8R1.11 CSc1c[nH]nc1Br 62a_200000210301_100011012988 [1,0,0,0,1,0|2,0,0]=4 3934 B8R1.11 CSc1c[nH]nc1C 62a_100000692133_200000210301 [1,0,0,0,1,0|1,0,0]=3 3935 B8R1.11 CSc1c[nH]nc1C 62a_200000210301_100000692133 [1,0,0,0,1,0|1,0,0]=3 3936 B8R1.11 CSc1c[nH]nc1F 62a_100015597042_200000210301 [1,0,0,0,1,0|2,0,0]=4 3937 B8R1.11 CSc1c[nH]nc1F 62a_200000210301_100015597042 [1,0,0,0,1,0|2,0,0]=4 3938 B8R1.11 CSc1c[nH]nc1N 62a_100000717100_200000210301 [1,0,0,0,1,0|2,0,0]=4 3939 B8R1.11 CSc1c[nH]nc1N 62a_200000210301_100000717100 [1,0,0,0,1,0|2,0,0]=4 3940 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [1,0,0,0,1,0|1,0,0]=3 3941 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [1,0,0,0,1,0|1,0,0]=3 3942 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [1,0,0,0,1,0|1,0,0]=3 3943 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [1,0,0,0,1,0|1,0,0]=3 3944 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [1,0,0,0,1,0|2,0,0]=4 3945 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [1,0,0,0,1,0|2,0,0]=4 3946 B8R1.11 CSc1conc1N 62a_100012597345_200000210301 [1,0,0,0,1,0|2,0,0]=4 3947 B8R1.11 CSc1conc1N 62a_200000210301_100012597345 [1,0,0,0,1,0|2,0,0]=4 3948 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [1,0,0,0,1,0|2,0,0]=4 3949 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [1,0,0,0,1,0|2,0,0]=4 3950 B8R1.11 CSc1n[nH]cc1Br 62a_100015839836_200000210301 [1,0,0,0,1,0|2,0,0]=4 3951 B8R1.11 CSc1n[nH]cc1Br 62a_200000210301_100015839836 [1,0,0,0,1,0|2,0,0]=4 3952 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [1,0,0,0,1,0|1,0,0]=3 3953 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [1,0,0,0,1,0|1,0,0]=3 3954 B8R1.11 CSc1n[nH]cc1N 62a_100010894806_200000210301 [1,0,0,0,1,0|2,0,0]=4 3955 B8R1.11 CSc1n[nH]cc1N 62a_200000210301_100010894806 [1,0,0,0,1,0|2,0,0]=4 3956 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [1,0,0,0,1,0|0,0,1]=3 3957 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [1,0,0,0,1,0|0,0,1]=3 3958 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [1,0,0,0,1,0|1,0,0]=3 3959 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [1,0,0,0,1,0|1,0,0]=3 3960 B8R1.11 CSc1ncnn1C 62a_100000732653_200000210301 [1,0,0,0,1,0|1,0,0]=3 3961 B8R1.11 CSc1ncnn1C 62a_200000210301_100000732653 [1,0,0,0,1,0|1,0,0]=3 3962 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [1,0,0,0,1,0|1,0,0]=3 3963 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [1,0,0,0,1,0|1,0,0]=3 3964 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [1,0,0,0,1,0|2,0,0]=4 3965 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [1,0,0,0,1,0|2,0,0]=4 3966 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,0,0,0,1,0|1,0,0]=3 3967 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,0,0,0,1,0|1,0,0]=3 3968 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,0,0,0,1,0|2,0,0]=4 3969 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [1,0,0,0,1,0|1,0,0]=3 3970 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [1,0,0,0,1,0|1,0,0]=3 3971 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [1,0,0,0,1,0|0,0,1]=3 3972 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [1,0,0,0,1,0|0,0,1]=3 3973 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [1,0,0,0,1,0|1,0,0]=3 3974 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [1,0,0,0,1,0|1,0,0]=3 3975 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,0,0,0,1,0|1,0,0]=3 3976 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,0,0,0,1,0|1,0,0]=3 3977 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [1,0,0,0,1,0|2,0,0]=4 3978 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [1,0,0,0,1,0|2,0,0]=4 3979 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_100000692133_200025704644 [1,0,0,0,1,0|1,0,0]=3 3980 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_200025704644_100000692133 [1,0,0,0,1,0|1,0,0]=3 3981 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [1,0,0,0,1,0|1,0,0]=3 3982 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [1,0,0,0,1,0|1,0,0]=3 3983 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [1,0,0,0,1,0|2,0,0]=4 3984 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [1,0,0,0,1,0|2,0,0]=4 3985 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [1,0,0,0,1,0|1,0,0]=3 3986 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [1,0,0,0,1,0|1,0,0]=3 3987 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [1,0,0,0,1,0|1,0,0]=3 3988 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [1,0,0,0,1,0|1,0,0]=3 3989 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [1,0,0,0,1,0|1,0,0]=3 3990 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [1,0,0,0,1,0|1,0,0]=3 3991 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [1,0,0,0,1,0|1,1,0]=4 3992 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [1,0,0,0,1,0|1,0,0]=3 3993 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [1,0,0,0,1,0|1,0,0]=3 3994 B8R1.11 Cn1ncnc1S[13CH3] 62a_100000732653_200025704644 [1,0,0,0,1,0|1,0,0]=3 3995 B8R1.11 Cn1ncnc1S[13CH3] 62a_200025704644_100000732653 [1,0,0,0,1,0|1,0,0]=3 3996 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_100010200774_200025704644 [1,0,0,0,1,0|1,0,1]=4 3997 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_200025704644_100010200774 [1,0,0,0,1,0|1,0,1]=4 3998 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_100011012988_200025704644 [1,0,0,0,1,0|2,0,0]=4 3999 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_200025704644_100011012988 [1,0,0,0,1,0|2,0,0]=4 4000 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_100015597042_200025704644 [1,0,0,0,1,0|2,0,0]=4 4001 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_200025704644_100015597042 [1,0,0,0,1,0|2,0,0]=4 4002 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_100000717100_200025704644 [1,0,0,0,1,0|2,0,0]=4 4003 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_200025704644_100000717100 [1,0,0,0,1,0|2,0,0]=4 4004 B8R1.11 [13CH3]Sc1conc1N 62a_100012597345_200025704644 [1,0,0,0,1,0|2,0,0]=4 4005 B8R1.11 [13CH3]Sc1conc1N 62a_200025704644_100012597345 [1,0,0,0,1,0|2,0,0]=4 4006 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_100015839836_200025704644 [1,0,0,0,1,0|2,0,0]=4 4007 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_200025704644_100015839836 [1,0,0,0,1,0|2,0,0]=4 4008 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_100010894806_200025704644 [1,0,0,0,1,0|2,0,0]=4 4009 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_200025704644_100010894806 [1,0,0,0,1,0|2,0,0]=4 4010 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [1,0,0,0,1,0|2,0,0]=4 4011 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [1,0,0,0,1,0|2,0,0]=4