0 B10R1.20 C#Cc1ccccc1NC 34a_100011470550_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.20 C#Cc1ccccc1N[13CH3] 34a_100011470550_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.20 C#Cc1ccccc1OC 34a_200011470546_200000210301 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.20 C#Cc1ccccc1OC 7a_200011470546_200000210301 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.20 C#Cc1ccccc1O[13CH3] 34a_200011470546_200025704644 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.20 C#Cc1ccccc1O[13CH3] 7a_200011470546_200025704644 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.20 C=Cc1ccccc1C#N 271570a_100011290941_100000188569 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.20 C=Cc1ccccc1NN 271570a_100011290941_100000241748 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [0,0,0,0,0,0|1,1,1]=3 17 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [0,0,0,0,0,0|1,1,1]=3 18 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [0,0,0,0,0,0|1,1,1]=3 19 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [0,0,0,0,0,0|1,1,1]=3 20 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [0,0,0,0,0,0|1,1,1]=3 21 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.20 C=Cc1cccnc1SC 271570a_100011290941_100011465278 [0,0,0,0,0,0|2,1,1]=4 25 B10R1.20 C=Cc1ccncc1CC 271570a_100011290941_100025704421 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.20 C=Cc1cnccc1CC 271570a_100011290941_100009819861 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.20 C=Cc1cnccc1NC 271570a_100011290941_100010069531 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [0,0,0,0,0,0|2,0,1]=3 30 B10R1.20 C=Cc1cncnc1OC 271570a_100011290941_100000719902 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.20 C=Cc1ncccc1NC 271570a_100011290941_200011806188 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.20 C=Cc1ncncc1OC 271570a_100011290941_100012001275 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [0,0,0,0,0,0|1,0,0]=1 43 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [0,0,0,0,0,0|1,1,0]=2 46 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [0,0,0,0,0,0|1,1,0]=2 47 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [0,0,0,0,0,0|1,1,0]=2 48 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [0,0,0,0,0,0|1,1,0]=2 49 B10R1.20 CCc1ccncc1SC 62a_100009819861_200000210301 [0,0,0,0,0,0|2,1,0]=3 50 B10R1.20 CCc1ccncc1SC 62a_200000210301_100009819861 [0,0,0,0,0,0|2,1,0]=3 51 B10R1.20 CCc1ccncc1S[13CH3] 62a_100009819861_200025704644 [0,0,0,0,0,0|2,1,0]=3 52 B10R1.20 CCc1ccncc1S[13CH3] 62a_200025704644_100009819861 [0,0,0,0,0,0|2,1,0]=3 53 B10R1.20 CCc1cnccc1SC 62a_100025704421_200000210301 [0,0,0,0,0,0|2,1,0]=3 54 B10R1.20 CCc1cnccc1SC 62a_200000210301_100025704421 [0,0,0,0,0,0|2,1,0]=3 55 B10R1.20 CCc1cnccc1S[13CH3] 62a_100025704421_200025704644 [0,0,0,0,0,0|2,1,0]=3 56 B10R1.20 CCc1cnccc1S[13CH3] 62a_200025704644_100025704421 [0,0,0,0,0,0|2,1,0]=3 57 B10R1.20 CCc1cncnc1NC 27a_100102657272_200000100055 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.20 CCc1cncnc1SC 62a_200000100055_200000210301 [0,0,0,0,0,0|3,1,0]=4 59 B10R1.20 CCc1cncnc1SC 62a_200000210301_200000100055 [0,0,0,0,0,0|3,1,0]=4 60 B10R1.20 CCc1cncnc1S[13CH3] 62a_200000100055_200025704644 [0,0,0,0,0,0|3,1,0]=4 61 B10R1.20 CCc1cncnc1S[13CH3] 62a_200025704644_200000100055 [0,0,0,0,0,0|3,1,0]=4 62 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [0,0,0,0,0,0|2,1,0]=3 63 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [0,0,0,0,0,0|2,1,0]=3 64 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [0,0,0,0,0,0|2,1,0]=3 65 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [0,0,0,0,0,0|2,1,0]=3 66 B10R1.20 CCc1nccnc1NC 27a_100102657272_100011995844 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.20 CCc1nccnc1SC 62a_100011995844_200000210301 [0,0,0,0,0,0|3,1,0]=4 68 B10R1.20 CCc1nccnc1SC 62a_200000210301_100011995844 [0,0,0,0,0,0|3,1,0]=4 69 B10R1.20 CCc1nccnc1S[13CH3] 62a_100011995844_200025704644 [0,0,0,0,0,0|3,1,0]=4 70 B10R1.20 CCc1nccnc1S[13CH3] 62a_200025704644_100011995844 [0,0,0,0,0,0|3,1,0]=4 71 B10R1.20 CCc1ncncc1NC 27a_100102657272_100009816992 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.20 CCc1ncncc1SC 62a_100009816992_200000210301 [0,0,0,0,0,0|3,1,0]=4 73 B10R1.20 CCc1ncncc1SC 62a_200000210301_100009816992 [0,0,0,0,0,0|3,1,0]=4 74 B10R1.20 CCc1ncncc1S[13CH3] 62a_100009816992_200025704644 [0,0,0,0,0,0|3,1,0]=4 75 B10R1.20 CCc1ncncc1S[13CH3] 62a_200025704644_100009816992 [0,0,0,0,0,0|3,1,0]=4 76 B10R1.20 CNc1ccccc1C#N 34a_100000211148_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.20 CNc1ccccc1CO 34a_100000212039_200000210301 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [0,0,0,0,0,0|1,0,0]=1 79 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [0,0,0,0,0,0|1,0,0]=1 80 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [0,0,0,0,0,0|1,0,0]=1 81 B10R1.20 CNc1ccccc1SC 34a_100000211160_200000210301 [0,0,0,0,0,0|1,1,0]=2 82 B10R1.20 CNc1ccccc1SC 62a_100020606079_200000210301 [0,0,0,0,0,0|1,1,0]=2 83 B10R1.20 CNc1ccccc1SC 62a_200000210301_100020606079 [0,0,0,0,0,0|1,1,0]=2 84 B10R1.20 CNc1ccccc1S[13CH3] 62a_100020606079_200025704644 [0,0,0,0,0,0|1,1,0]=2 85 B10R1.20 CNc1ccccc1S[13CH3] 62a_200025704644_100020606079 [0,0,0,0,0,0|1,1,0]=2 86 B10R1.20 CNc1cccnc1SC 62a_200000210301_200011806188 [0,0,0,0,0,0|2,1,0]=3 87 B10R1.20 CNc1cccnc1S[13CH3] 62a_200025704644_200011806188 [0,0,0,0,0,0|2,1,0]=3 88 B10R1.20 CNc1ccncc1C#N 27a_100102657272_100000687039 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.20 CNc1ccncc1CO 27a_100102657272_100000117392 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.20 CNc1ccncc1SC 62a_100010069531_200000210301 [0,0,0,0,0,0|2,1,0]=3 91 B10R1.20 CNc1ccncc1SC 62a_200000210301_100010069531 [0,0,0,0,0,0|2,1,0]=3 92 B10R1.20 CNc1ccncc1S[13CH3] 62a_100010069531_200025704644 [0,0,0,0,0,0|2,1,0]=3 93 B10R1.20 CNc1ccncc1S[13CH3] 62a_200025704644_100010069531 [0,0,0,0,0,0|2,1,0]=3 94 B10R1.20 CNc1cnccc1C#N 27a_100102657272_100000684818 [0,0,0,0,0,0|4,0,0]=4 95 B10R1.20 CNc1ncccc1C#N 27a_100102657272_100000211984 [0,0,0,0,0,0|4,0,0]=4 96 B10R1.20 CNc1ncccc1SC 62a_100000700899_200000210301 [0,0,0,0,0,0|2,1,0]=3 97 B10R1.20 CNc1ncccc1SC 62a_200000210301_100000700899 [0,0,0,0,0,0|2,1,0]=3 98 B10R1.20 CNc1ncccc1S[13CH3] 62a_100000700899_200025704644 [0,0,0,0,0,0|2,1,0]=3 99 B10R1.20 CNc1ncccc1S[13CH3] 62a_200025704644_100000700899 [0,0,0,0,0,0|2,1,0]=3 100 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.20 CNc1nccnc1SC 62a_200000210301_100011529439 [0,0,0,0,0,0|3,1,0]=4 102 B10R1.20 CNc1nccnc1S[13CH3] 62a_200025704644_100011529439 [0,0,0,0,0,0|3,1,0]=4 103 B10R1.20 CNc1ncncc1OC 27a_100102657272_100012001275 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.20 CNc1ncncc1SC 62a_200000210301_200012180720 [0,0,0,0,0,0|3,1,0]=4 105 B10R1.20 CNc1ncncc1SC 62a_200012180720_200000210301 [0,0,0,0,0,0|3,1,0]=4 106 B10R1.20 CNc1ncncc1S[13CH3] 62a_200012180720_200025704644 [0,0,0,0,0,0|3,1,0]=4 107 B10R1.20 CNc1ncncc1S[13CH3] 62a_200025704644_200012180720 [0,0,0,0,0,0|3,1,0]=4 108 B10R1.20 COc1ccccc1C#N 34a_100000211048_200000210301 [0,0,0,0,0,0|2,0,0]=2 109 B10R1.20 COc1ccccc1C#N 7a_100000211048_200000210301 [0,0,0,0,0,0|2,0,0]=2 110 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [0,0,0,0,0,0|2,0,0]=2 111 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [0,0,0,0,0,0|2,0,0]=2 112 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [0,0,0,0,0,0|1,0,0]=1 113 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [0,0,0,0,0,0|0,0,0]=0 114 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [0,0,0,0,0,0|0,0,0]=0 115 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [0,0,0,0,0,0|0,1,0]=1 116 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [0,0,0,0,0,0|0,1,0]=1 117 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [0,0,0,0,0,0|0,1,0]=1 118 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [0,0,0,0,0,0|0,1,0]=1 119 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [0,0,0,0,0,0|0,1,0]=1 120 B10R1.20 COc1cccnc1C#N 34a_100000722750_200000210301 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.20 COc1cccnc1C#N 7a_100000722750_200000210301 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [0,0,0,0,0,0|3,0,0]=3 123 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [0,0,0,0,0,0|1,0,0]=1 126 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [0,0,0,0,0,0|1,0,0]=1 127 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [0,0,0,0,0,0|1,0,0]=1 128 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [0,0,0,0,0,0|1,0,0]=1 129 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [0,0,0,0,0,0|1,1,0]=2 130 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [0,0,0,0,0,0|1,1,0]=2 131 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [0,0,0,0,0,0|1,1,0]=2 132 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [0,0,0,0,0,0|1,1,0]=2 133 B10R1.20 COc1ccncc1OC 34a_100000101186_200000210301 [0,0,0,0,0,0|1,0,0]=1 134 B10R1.20 COc1ccncc1O[13CH3] 34a_100000101186_200025704644 [0,0,0,0,0,0|1,0,0]=1 135 B10R1.20 COc1ccncc1SC 62a_100011997281_200000210301 [0,0,0,0,0,0|1,1,0]=2 136 B10R1.20 COc1ccncc1SC 62a_200000210301_100011997281 [0,0,0,0,0,0|1,1,0]=2 137 B10R1.20 COc1ccncc1S[13CH3] 62a_100011997281_200025704644 [0,0,0,0,0,0|1,1,0]=2 138 B10R1.20 COc1ccncc1S[13CH3] 62a_200025704644_100011997281 [0,0,0,0,0,0|1,1,0]=2 139 B10R1.20 COc1cnccc1C#N 7a_100012181322_200000210301 [0,0,0,0,0,0|3,0,0]=3 140 B10R1.20 COc1cnccc1CO 34a_100000078615_200000210301 [0,0,0,0,0,0|3,0,0]=3 141 B10R1.20 COc1cnccc1SC 62a_100016988167_200000210301 [0,0,0,0,0,0|1,1,0]=2 142 B10R1.20 COc1cnccc1SC 62a_200000210301_100016988167 [0,0,0,0,0,0|1,1,0]=2 143 B10R1.20 COc1cnccc1S[13CH3] 62a_100016988167_200025704644 [0,0,0,0,0,0|1,1,0]=2 144 B10R1.20 COc1cnccc1S[13CH3] 62a_200025704644_100016988167 [0,0,0,0,0,0|1,1,0]=2 145 B10R1.20 COc1cncnc1SC 62a_100012001275_200000210301 [0,0,0,0,0,0|2,1,0]=3 146 B10R1.20 COc1cncnc1SC 62a_200000210301_100012001275 [0,0,0,0,0,0|2,1,0]=3 147 B10R1.20 COc1cncnc1S[13CH3] 62a_100012001275_200025704644 [0,0,0,0,0,0|2,1,0]=3 148 B10R1.20 COc1cncnc1S[13CH3] 62a_200025704644_100012001275 [0,0,0,0,0,0|2,1,0]=3 149 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [0,0,0,0,0,0|1,0,0]=1 150 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [0,0,0,0,0,0|1,0,0]=1 151 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [0,0,0,0,0,0|1,1,0]=2 152 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [0,0,0,0,0,0|1,1,0]=2 153 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [0,0,0,0,0,0|1,1,0]=2 154 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [0,0,0,0,0,0|1,1,0]=2 155 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [0,0,0,0,0,0|2,1,0]=3 156 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [0,0,0,0,0,0|2,1,0]=3 157 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [0,0,0,0,0,0|2,1,0]=3 158 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [0,0,0,0,0,0|2,1,0]=3 159 B10R1.20 COc1ncncc1SC 62a_100000719902_200000210301 [0,0,0,0,0,0|2,1,0]=3 160 B10R1.20 COc1ncncc1SC 62a_200000210301_100000719902 [0,0,0,0,0,0|2,1,0]=3 161 B10R1.20 COc1ncncc1S[13CH3] 62a_100000719902_200025704644 [0,0,0,0,0,0|2,1,0]=3 162 B10R1.20 COc1ncncc1S[13CH3] 62a_200025704644_100000719902 [0,0,0,0,0,0|2,1,0]=3 163 B10R1.20 CSc1ccccc1C#N 62a_200000210301_100000188569 [0,0,0,0,0,0|2,1,0]=3 164 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [0,0,0,0,0,0|2,1,0]=3 165 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [0,0,0,0,0,0|2,1,0]=3 166 B10R1.20 CSc1ccccc1CN 62a_100000689332_200000210301 [0,0,0,0,0,0|2,1,0]=3 167 B10R1.20 CSc1ccccc1CN 62a_200000210301_100000689332 [0,0,0,0,0,0|2,1,0]=3 168 B10R1.20 CSc1ccccc1CO 62a_100000187465_200000210301 [0,0,0,0,0,0|2,1,0]=3 169 B10R1.20 CSc1ccccc1CO 62a_200000210301_100000187465 [0,0,0,0,0,0|2,1,0]=3 170 B10R1.20 CSc1ccccc1NN 62a_100000241748_200000210301 [0,0,0,0,0,0|2,1,0]=3 171 B10R1.20 CSc1ccccc1NN 62a_200000210301_100000241748 [0,0,0,0,0,0|2,1,0]=3 172 B10R1.20 CSc1ccccc1N[13CH3] 34a_100000211160_200025704644 [0,0,0,0,0,0|1,1,0]=2 173 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [0,0,0,0,0,0|0,1,0]=1 174 B10R1.20 CSc1ccccc1SC 62a_100011217816_200000210301 [0,0,0,0,0,0|0,2,0]=2 175 B10R1.20 CSc1ccccc1SC 62a_200000210301_100011217816 [0,0,0,0,0,0|0,2,0]=2 176 B10R1.20 CSc1ccccc1S[13CH3] 62a_100011217816_200025704644 [0,0,0,0,0,0|0,2,0]=2 177 B10R1.20 CSc1ccccc1S[13CH3] 62a_200025704644_100011217816 [0,0,0,0,0,0|0,2,0]=2 178 B10R1.20 CSc1cccnc1C#N 62a_200000210301_100000685805 [0,0,0,0,0,0|3,1,0]=4 179 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [0,0,0,0,0,0|3,1,0]=4 180 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [0,0,0,0,0,0|3,1,0]=4 181 B10R1.20 CSc1cccnc1CN 62a_100020591323_200000210301 [0,0,0,0,0,0|3,1,0]=4 182 B10R1.20 CSc1cccnc1CN 62a_200000210301_100020591323 [0,0,0,0,0,0|3,1,0]=4 183 B10R1.20 CSc1cccnc1CO 62a_100011996772_200000210301 [0,0,0,0,0,0|3,1,0]=4 184 B10R1.20 CSc1cccnc1CO 62a_200000210301_100011996772 [0,0,0,0,0,0|3,1,0]=4 185 B10R1.20 CSc1cccnc1NN 62a_100011464834_200000210301 [0,0,0,0,0,0|3,1,0]=4 186 B10R1.20 CSc1cccnc1NN 62a_200000210301_100011464834 [0,0,0,0,0,0|3,1,0]=4 187 B10R1.20 CSc1cccnc1SC 62a_100011465278_200000210301 [0,0,0,0,0,0|1,2,0]=3 188 B10R1.20 CSc1cccnc1SC 62a_200000210301_100011465278 [0,0,0,0,0,0|1,2,0]=3 189 B10R1.20 CSc1ccncc1C#N 62a_200000210301_100000687039 [0,0,0,0,0,0|3,1,0]=4 190 B10R1.20 CSc1ccncc1C=O 62a_100000050567_200000210301 [0,0,0,0,0,0|3,1,0]=4 191 B10R1.20 CSc1ccncc1C=O 62a_200000210301_100000050567 [0,0,0,0,0,0|3,1,0]=4 192 B10R1.20 CSc1ccncc1CO 62a_100000117392_200000210301 [0,0,0,0,0,0|3,1,0]=4 193 B10R1.20 CSc1ccncc1CO 62a_200000210301_100000117392 [0,0,0,0,0,0|3,1,0]=4 194 B10R1.20 CSc1cnccc1C#N 62a_200000210301_100000684818 [0,0,0,0,0,0|3,1,0]=4 195 B10R1.20 CSc1cnccc1C=O 62a_100011934409_200000210301 [0,0,0,0,0,0|3,1,0]=4 196 B10R1.20 CSc1cnccc1C=O 62a_200000210301_100011934409 [0,0,0,0,0,0|3,1,0]=4 197 B10R1.20 CSc1cnccc1CN 62a_100020640021_200000210301 [0,0,0,0,0,0|3,1,0]=4 198 B10R1.20 CSc1cnccc1CN 62a_200000210301_100020640021 [0,0,0,0,0,0|3,1,0]=4 199 B10R1.20 CSc1cnccc1CO 62a_100009873359_200000210301 [0,0,0,0,0,0|3,1,0]=4 200 B10R1.20 CSc1cnccc1CO 62a_200000210301_100009873359 [0,0,0,0,0,0|3,1,0]=4 201 B10R1.20 CSc1cnccc1NN 62a_100013404636_200000210301 [0,0,0,0,0,0|3,1,0]=4 202 B10R1.20 CSc1cnccc1NN 62a_200000210301_100013404636 [0,0,0,0,0,0|3,1,0]=4 203 B10R1.20 CSc1ncccc1C#N 62a_200000210301_100000211984 [0,0,0,0,0,0|3,1,0]=4 204 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [0,0,0,0,0,0|3,1,0]=4 205 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [0,0,0,0,0,0|3,1,0]=4 206 B10R1.20 CSc1ncccc1CN 62a_100015189234_200000210301 [0,0,0,0,0,0|3,1,0]=4 207 B10R1.20 CSc1ncccc1CN 62a_200000210301_100015189234 [0,0,0,0,0,0|3,1,0]=4 208 B10R1.20 CSc1ncccc1CO 62a_100000748726_200000210301 [0,0,0,0,0,0|3,1,0]=4 209 B10R1.20 CSc1ncccc1CO 62a_200000210301_100000748726 [0,0,0,0,0,0|3,1,0]=4 210 B10R1.20 CSc1ncccc1S[13CH3] 62a_100011465278_200025704644 [0,0,0,0,0,0|1,2,0]=3 211 B10R1.20 CSc1ncccc1S[13CH3] 62a_200025704644_100011465278 [0,0,0,0,0,0|1,2,0]=3 212 B10R1.20 [13CH3]Nc1ccccc1C#N 34a_100000211148_200025704644 [0,0,0,0,0,0|3,0,0]=3 213 B10R1.20 [13CH3]Nc1ccccc1CO 34a_100000212039_200025704644 [0,0,0,0,0,0|3,0,0]=3 214 B10R1.20 [13CH3]Oc1ccccc1C#N 34a_100000211048_200025704644 [0,0,0,0,0,0|2,0,0]=2 215 B10R1.20 [13CH3]Oc1ccccc1C#N 7a_100000211048_200025704644 [0,0,0,0,0,0|2,0,0]=2 216 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [0,0,0,0,0,0|2,0,0]=2 217 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [0,0,0,0,0,0|2,0,0]=2 218 B10R1.20 [13CH3]Oc1cccnc1C#N 34a_100000722750_200025704644 [0,0,0,0,0,0|3,0,0]=3 219 B10R1.20 [13CH3]Oc1cccnc1C#N 7a_100000722750_200025704644 [0,0,0,0,0,0|3,0,0]=3 220 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [0,0,0,0,0,0|3,0,0]=3 221 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [0,0,0,0,0,0|3,0,0]=3 222 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [0,0,0,0,0,0|3,0,0]=3 223 B10R1.20 [13CH3]Oc1cnccc1C#N 7a_100012181322_200025704644 [0,0,0,0,0,0|3,0,0]=3 224 B10R1.20 [13CH3]Oc1cnccc1CO 34a_100000078615_200025704644 [0,0,0,0,0,0|3,0,0]=3 225 B10R1.20 [13CH3]Sc1ccccc1C#N 62a_200025704644_100000188569 [0,0,0,0,0,0|2,1,0]=3 226 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [0,0,0,0,0,0|2,1,0]=3 227 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [0,0,0,0,0,0|2,1,0]=3 228 B10R1.20 [13CH3]Sc1ccccc1CN 62a_100000689332_200025704644 [0,0,0,0,0,0|2,1,0]=3 229 B10R1.20 [13CH3]Sc1ccccc1CN 62a_200025704644_100000689332 [0,0,0,0,0,0|2,1,0]=3 230 B10R1.20 [13CH3]Sc1ccccc1CO 62a_100000187465_200025704644 [0,0,0,0,0,0|2,1,0]=3 231 B10R1.20 [13CH3]Sc1ccccc1CO 62a_200025704644_100000187465 [0,0,0,0,0,0|2,1,0]=3 232 B10R1.20 [13CH3]Sc1ccccc1NN 62a_100000241748_200025704644 [0,0,0,0,0,0|2,1,0]=3 233 B10R1.20 [13CH3]Sc1ccccc1NN 62a_200025704644_100000241748 [0,0,0,0,0,0|2,1,0]=3 234 B10R1.20 [13CH3]Sc1cccnc1C#N 62a_200025704644_100000685805 [0,0,0,0,0,0|3,1,0]=4 235 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [0,0,0,0,0,0|3,1,0]=4 236 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [0,0,0,0,0,0|3,1,0]=4 237 B10R1.20 [13CH3]Sc1cccnc1CN 62a_100020591323_200025704644 [0,0,0,0,0,0|3,1,0]=4 238 B10R1.20 [13CH3]Sc1cccnc1CN 62a_200025704644_100020591323 [0,0,0,0,0,0|3,1,0]=4 239 B10R1.20 [13CH3]Sc1cccnc1CO 62a_100011996772_200025704644 [0,0,0,0,0,0|3,1,0]=4 240 B10R1.20 [13CH3]Sc1cccnc1CO 62a_200025704644_100011996772 [0,0,0,0,0,0|3,1,0]=4 241 B10R1.20 [13CH3]Sc1cccnc1NN 62a_100011464834_200025704644 [0,0,0,0,0,0|3,1,0]=4 242 B10R1.20 [13CH3]Sc1cccnc1NN 62a_200025704644_100011464834 [0,0,0,0,0,0|3,1,0]=4 243 B10R1.20 [13CH3]Sc1ccncc1C#N 62a_200025704644_100000687039 [0,0,0,0,0,0|3,1,0]=4 244 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_100000050567_200025704644 [0,0,0,0,0,0|3,1,0]=4 245 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_200025704644_100000050567 [0,0,0,0,0,0|3,1,0]=4 246 B10R1.20 [13CH3]Sc1ccncc1CO 62a_100000117392_200025704644 [0,0,0,0,0,0|3,1,0]=4 247 B10R1.20 [13CH3]Sc1ccncc1CO 62a_200025704644_100000117392 [0,0,0,0,0,0|3,1,0]=4 248 B10R1.20 [13CH3]Sc1cnccc1C#N 62a_200025704644_100000684818 [0,0,0,0,0,0|3,1,0]=4 249 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_100011934409_200025704644 [0,0,0,0,0,0|3,1,0]=4 250 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_200025704644_100011934409 [0,0,0,0,0,0|3,1,0]=4 251 B10R1.20 [13CH3]Sc1cnccc1CN 62a_100020640021_200025704644 [0,0,0,0,0,0|3,1,0]=4 252 B10R1.20 [13CH3]Sc1cnccc1CN 62a_200025704644_100020640021 [0,0,0,0,0,0|3,1,0]=4 253 B10R1.20 [13CH3]Sc1cnccc1CO 62a_100009873359_200025704644 [0,0,0,0,0,0|3,1,0]=4 254 B10R1.20 [13CH3]Sc1cnccc1CO 62a_200025704644_100009873359 [0,0,0,0,0,0|3,1,0]=4 255 B10R1.20 [13CH3]Sc1cnccc1NN 62a_100013404636_200025704644 [0,0,0,0,0,0|3,1,0]=4 256 B10R1.20 [13CH3]Sc1cnccc1NN 62a_200025704644_100013404636 [0,0,0,0,0,0|3,1,0]=4 257 B10R1.20 [13CH3]Sc1ncccc1C#N 62a_200025704644_100000211984 [0,0,0,0,0,0|3,1,0]=4 258 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [0,0,0,0,0,0|3,1,0]=4 259 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [0,0,0,0,0,0|3,1,0]=4 260 B10R1.20 [13CH3]Sc1ncccc1CN 62a_100015189234_200025704644 [0,0,0,0,0,0|3,1,0]=4 261 B10R1.20 [13CH3]Sc1ncccc1CN 62a_200025704644_100015189234 [0,0,0,0,0,0|3,1,0]=4 262 B10R1.20 [13CH3]Sc1ncccc1CO 62a_100000748726_200025704644 [0,0,0,0,0,0|3,1,0]=4 263 B10R1.20 [13CH3]Sc1ncccc1CO 62a_200025704644_100000748726 [0,0,0,0,0,0|3,1,0]=4 264 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [1,0,0,0,0,0|2,0,1]=4 266 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [1,0,0,0,0,0|1,0,1]=3 267 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [1,0,0,0,0,0|2,0,1]=4 268 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [1,0,0,0,0,0|2,0,1]=4 269 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [1,0,0,0,0,0|1,0,1]=3 271 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [1,0,0,0,0,0|2,0,1]=4 272 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [1,0,0,0,0,0|2,0,1]=4 273 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [1,0,0,0,0,0|2,0,1]=4 274 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [1,0,0,0,0,0|2,0,1]=4 275 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,0,0,0,0,0|2,0,1]=4 276 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [1,0,0,0,0,0|2,0,1]=4 277 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [1,0,0,0,0,0|1,0,0]=2 278 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [1,0,0,0,0,0|2,0,0]=3 279 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [1,0,0,0,0,0|2,0,0]=3 280 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,0,0,0,0,0|2,0,0]=3 282 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [1,0,0,0,0,0|2,0,0]=3 285 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,0,0,0,0,0|1,0,0]=2 286 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [1,0,0,0,0,0|1,0,0]=2 290 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [1,0,0,0,0,0|1,0,0]=2 291 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [1,0,0,0,0,0|2,0,0]=3 292 B9R1.15 CNc1ccncc1Br 27a_100102657272_100000726257 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [1,0,0,0,0,0|2,0,0]=3 294 B9R1.15 CNc1ccncc1F 27a_100102657272_100000035921 [1,0,0,0,0,0|3,0,0]=4 295 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [1,0,0,0,0,0|2,0,0]=3 296 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [1,0,0,0,0,0|2,0,0]=3 298 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [1,0,0,0,0,0|3,0,0]=4 299 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [1,0,0,0,0,0|3,0,0]=4 300 B9R1.15 CNc1ncncc1C 27a_100102657272_100011998708 [1,0,0,0,0,0|3,0,0]=4 301 B9R1.15 CNc1ncncc1O 271570a_203496583355_200012180720 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.15 CNc1nnccc1C 27a_100102657272_100000089043 [1,0,0,0,0,0|3,0,0]=4 303 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [1,0,0,0,0,0|1,0,1]=3 304 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [1,0,0,0,0,0|1,0,0]=2 305 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [1,0,0,0,0,0|1,0,0]=2 306 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,0,0,0,0,0|0,0,0]=1 307 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,0,0,0,0,0|0,0,0]=1 308 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [1,0,0,0,0,0|1,0,0]=2 309 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [1,0,0,0,0,0|1,0,0]=2 310 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [1,0,0,0,0,0|1,0,0]=2 311 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [1,0,0,0,0,0|1,0,0]=2 312 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [1,0,0,0,0,0|1,0,0]=2 313 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [1,0,0,0,0,0|1,0,0]=2 314 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [1,0,0,0,0,0|1,0,0]=2 315 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [1,0,0,0,0,0|1,0,0]=2 316 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [1,0,0,0,0,0|0,0,0]=1 317 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [1,0,0,0,0,0|2,0,0]=3 318 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [1,0,0,0,0,0|2,0,0]=3 319 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [1,0,0,0,0,0|1,0,0]=2 320 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [1,0,0,0,0,0|1,0,0]=2 321 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [1,0,0,0,0,0|2,0,0]=3 322 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [1,0,0,0,0,0|2,0,0]=3 323 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [1,0,0,0,0,0|2,0,0]=3 324 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [1,0,0,0,0,0|2,0,0]=3 325 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [1,0,0,0,0,0|2,0,0]=3 326 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [1,0,0,0,0,0|2,0,0]=3 327 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [1,0,0,0,0,0|2,0,0]=3 328 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [1,0,0,0,0,0|2,0,0]=3 329 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [1,0,0,0,0,0|1,0,0]=2 330 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [1,0,0,0,0,0|1,0,1]=3 331 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [1,0,0,0,0,0|1,0,1]=3 332 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [1,0,0,0,0,0|2,0,0]=3 333 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [1,0,0,0,0,0|1,0,0]=2 334 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [1,0,0,0,0,0|2,0,0]=3 336 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [1,0,0,0,0,0|1,0,0]=2 337 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [1,0,0,0,0,0|1,0,0]=2 338 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [1,0,0,0,0,0|1,0,0]=2 339 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [1,0,0,0,0,0|2,0,0]=3 340 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [1,0,0,0,0,0|2,0,0]=3 341 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [1,0,0,0,0,0|2,0,0]=3 342 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [1,0,0,0,0,0|1,0,0]=2 343 B9R1.15 COc1cncnc1N 7a_100000112926_200000210301 [1,0,0,0,0,0|3,0,0]=4 344 B9R1.15 COc1cncnc1O 271570a_203496583355_100012001275 [1,0,0,0,0,0|2,0,0]=3 345 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [1,0,0,0,0,0|1,0,1]=3 346 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [1,0,0,0,0,0|2,0,0]=3 347 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [1,0,0,0,0,0|2,0,0]=3 348 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [1,0,0,0,0,0|2,0,0]=3 349 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [1,0,0,0,0,0|1,0,0]=2 350 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [1,0,0,0,0,0|2,0,0]=3 351 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [1,0,0,0,0,0|2,0,0]=3 352 B9R1.15 COc1ncncc1O 271570a_203496583355_100000719902 [1,0,0,0,0,0|2,0,0]=3 353 B9R1.15 CSc1c[nH]ccc1=O 62a_100009998708_200000210301 [1,0,0,0,0,0|1,1,1]=4 354 B9R1.15 CSc1c[nH]ccc1=O 62a_200000210301_100009998708 [1,0,0,0,0,0|1,1,1]=4 355 B9R1.15 CSc1c[nH]ccc1=S 62a_200000210301_200012280681 [1,0,0,0,0,0|1,2,0]=4 356 B9R1.15 CSc1c[nH]ccc1=S 62a_200012280681_200000210301 [1,0,0,0,0,0|1,2,0]=4 357 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [1,0,0,0,0,0|1,1,0]=3 358 B9R1.15 CSc1cccc[n+]1[O-] 62a_200000210301_200000042595 [1,0,0,0,0,0|1,1,1]=4 359 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [1,0,0,0,0,0|1,1,0]=3 360 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [1,0,0,0,0,0|1,1,0]=3 361 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,0,0,0,0,0|0,1,0]=2 362 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,0,0,0,0,0|0,1,0]=2 363 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [1,0,0,0,0,0|1,1,0]=3 364 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [1,0,0,0,0,0|1,1,0]=3 365 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [1,0,0,0,0,0|1,1,0]=3 366 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [1,0,0,0,0,0|1,1,0]=3 367 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [1,0,0,0,0,0|1,1,0]=3 368 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [1,0,0,0,0,0|1,1,0]=3 369 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [1,0,0,0,0,0|0,1,0]=2 370 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [1,0,0,0,0,0|0,1,0]=2 371 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [1,0,0,0,0,0|0,1,0]=2 372 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [1,0,0,0,0,0|2,1,0]=4 373 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [1,0,0,0,0,0|2,1,0]=4 374 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [1,0,0,0,0,0|1,1,0]=3 375 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [1,0,0,0,0,0|1,1,0]=3 376 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [1,0,0,0,0,0|2,1,0]=4 377 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [1,0,0,0,0,0|2,1,0]=4 378 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [1,0,0,0,0,0|2,1,0]=4 379 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [1,0,0,0,0,0|2,1,0]=4 380 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [1,0,0,0,0,0|2,1,0]=4 381 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [1,0,0,0,0,0|2,1,0]=4 382 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [1,0,0,0,0,0|1,1,0]=3 383 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [1,0,0,0,0,0|1,1,0]=3 384 B9R1.15 CSc1ccncc1Br 62a_100000726257_200000210301 [1,0,0,0,0,0|2,1,0]=4 385 B9R1.15 CSc1ccncc1Br 62a_200000210301_100000726257 [1,0,0,0,0,0|2,1,0]=4 386 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [1,0,0,0,0,0|1,1,0]=3 387 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [1,0,0,0,0,0|1,1,0]=3 388 B9R1.15 CSc1ccncc1Cl 62a_100000708259_200000210301 [1,0,0,0,0,0|2,1,0]=4 389 B9R1.15 CSc1ccncc1Cl 62a_200000210301_100000708259 [1,0,0,0,0,0|2,1,0]=4 390 B9R1.15 CSc1ccncc1F 62a_100000047030_200000210301 [1,0,0,0,0,0|2,1,0]=4 391 B9R1.15 CSc1ccncc1F 62a_200000210301_100000047030 [1,0,0,0,0,0|2,1,0]=4 392 B9R1.15 CSc1ccncc1N 62a_100000756074_200000210301 [1,0,0,0,0,0|2,1,0]=4 393 B9R1.15 CSc1ccncc1N 62a_200000210301_100000756074 [1,0,0,0,0,0|2,1,0]=4 394 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [1,0,0,0,0,0|1,1,0]=3 395 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [1,0,0,0,0,0|1,1,0]=3 396 B9R1.15 CSc1cnccc1Br 62a_100010138639_200000210301 [1,0,0,0,0,0|2,1,0]=4 397 B9R1.15 CSc1cnccc1Br 62a_200000210301_100010138639 [1,0,0,0,0,0|2,1,0]=4 398 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [1,0,0,0,0,0|1,1,0]=3 399 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [1,0,0,0,0,0|1,1,0]=3 400 B9R1.15 CSc1cnccc1Cl 62a_100009995489_200000210301 [1,0,0,0,0,0|2,1,0]=4 401 B9R1.15 CSc1cnccc1Cl 62a_200000210301_100009995489 [1,0,0,0,0,0|2,1,0]=4 402 B9R1.15 CSc1cnccc1F 62a_100009820683_200000210301 [1,0,0,0,0,0|2,1,0]=4 403 B9R1.15 CSc1cnccc1F 62a_200000210301_100009820683 [1,0,0,0,0,0|2,1,0]=4 404 B9R1.15 CSc1cnccc1N 62a_100000047001_200000210301 [1,0,0,0,0,0|2,1,0]=4 405 B9R1.15 CSc1cnccc1N 62a_200000210301_100000047001 [1,0,0,0,0,0|2,1,0]=4 406 B9R1.15 CSc1cncnc1C 62a_100009819671_200000210301 [1,0,0,0,0,0|2,1,0]=4 407 B9R1.15 CSc1cncnc1C 62a_200000210301_100009819671 [1,0,0,0,0,0|2,1,0]=4 408 B9R1.15 CSc1cncnc1O 62a_100000751107_200000210301 [1,0,0,0,0,0|2,1,0]=4 409 B9R1.15 CSc1cncnc1O 62a_200000210301_100000751107 [1,0,0,0,0,0|2,1,0]=4 410 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [1,0,0,0,0,0|2,1,0]=4 411 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [1,0,0,0,0,0|2,1,0]=4 412 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [1,0,0,0,0,0|1,1,0]=3 413 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [1,0,0,0,0,0|1,1,0]=3 414 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [1,0,0,0,0,0|2,1,0]=4 415 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [1,0,0,0,0,0|2,1,0]=4 416 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [1,0,0,0,0,0|2,1,0]=4 417 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [1,0,0,0,0,0|2,1,0]=4 418 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [1,0,0,0,0,0|2,1,0]=4 419 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [1,0,0,0,0,0|2,1,0]=4 420 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [1,0,0,0,0,0|1,1,0]=3 421 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [1,0,0,0,0,0|1,1,0]=3 422 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [1,0,0,0,0,0|1,1,0]=3 423 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [1,0,0,0,0,0|2,1,0]=4 424 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [1,0,0,0,0,0|2,1,0]=4 425 B9R1.15 CSc1ncncc1C 62a_100011998708_200000210301 [1,0,0,0,0,0|2,1,0]=4 426 B9R1.15 CSc1ncncc1C 62a_200000210301_100011998708 [1,0,0,0,0,0|2,1,0]=4 427 B9R1.15 CSc1nnccc1C 62a_200000210301_100000089043 [1,0,0,0,0,0|2,1,0]=4 428 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [1,0,0,0,0,0|1,1,0]=3 429 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,0,0,0,0,0|1,0,0]=2 430 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,0,0,0,0,0|0,0,0]=1 431 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,0,0,0,0,0|0,0,0]=1 432 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,0,0,0,0,0|0,1,0]=2 433 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,0,0,0,0,0|0,1,0]=2 434 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [1,0,0,0,0,0|1,1,0]=3 435 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [1,0,0,0,0,0|1,1,0]=3 436 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [1,0,0,0,0,0|1,0,0]=2 437 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [1,0,0,0,0,0|1,0,0]=2 438 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [1,0,0,0,0,0|1,1,0]=3 439 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [1,0,0,0,0,0|1,1,0]=3 440 B9R1.15 Cc1ccnnc1S[13CH3] 62a_200025704644_100000089043 [1,0,0,0,0,0|2,1,0]=4 441 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [1,0,0,0,0,0|1,0,0]=2 442 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [1,0,0,0,0,0|1,1,0]=3 443 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [1,0,0,0,0,0|1,1,0]=3 444 B9R1.15 Cc1cncnc1S[13CH3] 62a_100011998708_200025704644 [1,0,0,0,0,0|2,1,0]=4 445 B9R1.15 Cc1cncnc1S[13CH3] 62a_200025704644_100011998708 [1,0,0,0,0,0|2,1,0]=4 446 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [1,0,0,0,0,0|1,0,0]=2 447 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [1,0,0,0,0,0|1,0,0]=2 448 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [1,0,0,0,0,0|1,1,0]=3 449 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [1,0,0,0,0,0|1,1,0]=3 450 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [1,0,0,0,0,0|2,0,0]=3 451 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [1,0,0,0,0,0|2,1,0]=4 452 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [1,0,0,0,0,0|2,1,0]=4 453 B9R1.15 Cc1ncncc1S[13CH3] 62a_100009819671_200025704644 [1,0,0,0,0,0|2,1,0]=4 454 B9R1.15 Cc1ncncc1S[13CH3] 62a_200025704644_100009819671 [1,0,0,0,0,0|2,1,0]=4 455 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [1,0,0,0,0,0|2,0,0]=3 456 B9R1.15 N#Cc1cccnc1O 271570a_203496583355_100000211984 [1,0,0,0,0,0|3,0,0]=4 457 B9R1.15 N#Cc1ccncc1O 271570a_203496583355_100000684818 [1,0,0,0,0,0|3,0,0]=4 458 B9R1.15 N#Cc1cnccc1O 271570a_203496583355_100000687039 [1,0,0,0,0,0|3,0,0]=4 459 B9R1.15 N#Cc1ncccc1O 271570a_203496583355_100000685805 [1,0,0,0,0,0|3,0,0]=4 460 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [1,0,0,0,0,0|2,0,0]=3 461 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [1,0,0,0,0,0|3,0,0]=4 462 B9R1.15 NCc1ccncc1O 271570a_203496583355_100020640021 [1,0,0,0,0,0|3,0,0]=4 463 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [1,0,0,0,0,0|3,0,0]=4 464 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [1,0,0,0,0,0|2,0,0]=3 465 B9R1.15 NNc1ccncc1O 271570a_203496583355_100013404636 [1,0,0,0,0,0|3,0,0]=4 466 B9R1.15 NNc1ncccc1O 271570a_203496583355_100011464834 [1,0,0,0,0,0|3,0,0]=4 467 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,0,0,0,0,0|2,0,0]=3 468 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,0,0,0,0,0|3,0,0]=4 469 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [1,0,0,0,0,0|3,0,0]=4 470 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,0,0,0,0,0|3,0,0]=4 471 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,0,0,0,0,0|3,0,0]=4 472 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [1,0,0,0,0,0|2,0,0]=3 473 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [1,0,0,0,0,0|3,0,0]=4 474 B9R1.15 OCc1ccncc1O 271570a_203496583355_100009873359 [1,0,0,0,0,0|3,0,0]=4 475 B9R1.15 OCc1cnccc1O 271570a_203496583355_100000117392 [1,0,0,0,0,0|3,0,0]=4 476 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [1,0,0,0,0,0|3,0,0]=4 477 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [1,0,0,0,0,0|2,0,0]=3 478 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [1,0,0,0,0,0|2,0,0]=3 479 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [1,0,0,0,0,0|2,0,0]=3 480 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [1,0,0,0,0,0|2,0,0]=3 481 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [1,0,0,0,0,0|1,0,0]=2 482 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [1,0,0,0,0,0|1,0,1]=3 483 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [1,0,0,0,0,0|1,0,0]=2 484 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [1,0,0,0,0,0|1,0,0]=2 485 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [1,0,0,0,0,0|1,0,0]=2 486 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [1,0,0,0,0,0|1,0,0]=2 487 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [1,0,0,0,0,0|1,0,0]=2 488 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [1,0,0,0,0,0|1,0,0]=2 489 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [1,0,0,0,0,0|1,0,0]=2 490 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [1,0,0,0,0,0|1,0,0]=2 491 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [1,0,0,0,0,0|1,0,0]=2 492 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [1,0,0,0,0,0|1,0,0]=2 493 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [1,0,0,0,0,0|2,0,0]=3 494 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [1,0,0,0,0,0|2,0,0]=3 495 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [1,0,0,0,0,0|2,0,0]=3 496 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [1,0,0,0,0,0|2,0,0]=3 497 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [1,0,0,0,0,0|2,0,0]=3 498 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [1,0,0,0,0,0|2,0,0]=3 499 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [1,0,0,0,0,0|2,0,0]=3 500 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [1,0,0,0,0,0|2,0,0]=3 501 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [1,0,0,0,0,0|2,0,0]=3 502 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [1,0,0,0,0,0|2,0,0]=3 503 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [1,0,0,0,0,0|1,0,1]=3 504 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [1,0,0,0,0,0|1,0,1]=3 505 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [1,0,0,0,0,0|2,0,0]=3 506 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [1,0,0,0,0,0|2,0,0]=3 507 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [1,0,0,0,0,0|2,0,0]=3 508 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [1,0,0,0,0,0|2,0,0]=3 509 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [1,0,0,0,0,0|2,0,0]=3 510 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [1,0,0,0,0,0|2,0,0]=3 511 B9R1.15 [13CH3]Oc1cncnc1N 7a_100000112926_200025704644 [1,0,0,0,0,0|3,0,0]=4 512 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [1,0,0,0,0,0|1,0,1]=3 513 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [1,0,0,0,0,0|2,0,0]=3 514 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [1,0,0,0,0,0|2,0,0]=3 515 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [1,0,0,0,0,0|2,0,0]=3 516 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_100009998708_200025704644 [1,0,0,0,0,0|1,1,1]=4 517 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_200025704644_100009998708 [1,0,0,0,0,0|1,1,1]=4 518 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200012280681_200025704644 [1,0,0,0,0,0|1,2,0]=4 519 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200025704644_200012280681 [1,0,0,0,0,0|1,2,0]=4 520 B9R1.15 [13CH3]Sc1cccc[n+]1[O-] 62a_200025704644_200000042595 [1,0,0,0,0,0|1,1,1]=4 521 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [1,0,0,0,0,0|1,1,0]=3 522 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [1,0,0,0,0,0|1,1,0]=3 523 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [1,0,0,0,0,0|1,1,0]=3 524 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [1,0,0,0,0,0|1,1,0]=3 525 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [1,0,0,0,0,0|1,1,0]=3 526 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [1,0,0,0,0,0|1,1,0]=3 527 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [1,0,0,0,0,0|1,1,0]=3 528 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [1,0,0,0,0,0|1,1,0]=3 529 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [1,0,0,0,0,0|0,1,0]=2 530 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [1,0,0,0,0,0|0,1,0]=2 531 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [1,0,0,0,0,0|2,1,0]=4 532 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [1,0,0,0,0,0|2,1,0]=4 533 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [1,0,0,0,0,0|2,1,0]=4 534 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [1,0,0,0,0,0|2,1,0]=4 535 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [1,0,0,0,0,0|2,1,0]=4 536 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [1,0,0,0,0,0|2,1,0]=4 537 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [1,0,0,0,0,0|2,1,0]=4 538 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [1,0,0,0,0,0|2,1,0]=4 539 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [1,0,0,0,0,0|1,1,0]=3 540 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [1,0,0,0,0,0|1,1,0]=3 541 B9R1.15 [13CH3]Sc1ccncc1Br 62a_100000726257_200025704644 [1,0,0,0,0,0|2,1,0]=4 542 B9R1.15 [13CH3]Sc1ccncc1Br 62a_200025704644_100000726257 [1,0,0,0,0,0|2,1,0]=4 543 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_100000708259_200025704644 [1,0,0,0,0,0|2,1,0]=4 544 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_200025704644_100000708259 [1,0,0,0,0,0|2,1,0]=4 545 B9R1.15 [13CH3]Sc1ccncc1F 62a_100000047030_200025704644 [1,0,0,0,0,0|2,1,0]=4 546 B9R1.15 [13CH3]Sc1ccncc1F 62a_200025704644_100000047030 [1,0,0,0,0,0|2,1,0]=4 547 B9R1.15 [13CH3]Sc1ccncc1N 62a_100000756074_200025704644 [1,0,0,0,0,0|2,1,0]=4 548 B9R1.15 [13CH3]Sc1ccncc1N 62a_200025704644_100000756074 [1,0,0,0,0,0|2,1,0]=4 549 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [1,0,0,0,0,0|1,1,0]=3 550 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [1,0,0,0,0,0|1,1,0]=3 551 B9R1.15 [13CH3]Sc1cnccc1Br 62a_100010138639_200025704644 [1,0,0,0,0,0|2,1,0]=4 552 B9R1.15 [13CH3]Sc1cnccc1Br 62a_200025704644_100010138639 [1,0,0,0,0,0|2,1,0]=4 553 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_100009995489_200025704644 [1,0,0,0,0,0|2,1,0]=4 554 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_200025704644_100009995489 [1,0,0,0,0,0|2,1,0]=4 555 B9R1.15 [13CH3]Sc1cnccc1F 62a_100009820683_200025704644 [1,0,0,0,0,0|2,1,0]=4 556 B9R1.15 [13CH3]Sc1cnccc1F 62a_200025704644_100009820683 [1,0,0,0,0,0|2,1,0]=4 557 B9R1.15 [13CH3]Sc1cnccc1N 62a_100000047001_200025704644 [1,0,0,0,0,0|2,1,0]=4 558 B9R1.15 [13CH3]Sc1cnccc1N 62a_200025704644_100000047001 [1,0,0,0,0,0|2,1,0]=4 559 B9R1.15 [13CH3]Sc1cncnc1O 62a_100000751107_200025704644 [1,0,0,0,0,0|2,1,0]=4 560 B9R1.15 [13CH3]Sc1cncnc1O 62a_200025704644_100000751107 [1,0,0,0,0,0|2,1,0]=4 561 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [1,0,0,0,0,0|2,1,0]=4 562 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [1,0,0,0,0,0|2,1,0]=4 563 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [1,0,0,0,0,0|2,1,0]=4 564 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [1,0,0,0,0,0|2,1,0]=4 565 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [1,0,0,0,0,0|2,1,0]=4 566 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [1,0,0,0,0,0|2,1,0]=4 567 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [1,0,0,0,0,0|2,1,0]=4 568 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [1,0,0,0,0,0|2,1,0]=4 569 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [1,0,0,0,0,0|1,1,0]=3 570 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [1,0,0,0,0,0|1,1,0]=3 571 B11R1.37 C#Cc1cc(ccc1NC)C 34a_200012001881_200000210301 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.37 C#Cc1cc(ccc1N[13CH3])C 34a_200012001881_200025704644 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.37 C=Cc1cc(=O)[nH]cc1OC 271570a_100011290941_100121573661 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.37 C=Cc1cc(ccc1NC)C 271570a_100011290941_100000221369 [0,1,0,0,0,0|2,0,1]=4 575 B11R1.37 C=Cc1cc(ccc1NC)F 271570a_100011290941_100011246292 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.37 C=Cc1cc(ccc1OC)Br 271570a_100011290941_100012351588 [0,1,0,0,0,0|1,0,1]=3 577 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [0,1,0,0,0,0|1,0,1]=3 578 B11R1.37 C=Cc1cc(ccc1OC)Cl 271570a_100011290941_100011215930 [0,1,0,0,0,0|1,0,1]=3 579 B11R1.37 C=Cc1cc(ccc1OC)F 271570a_100011290941_100000171694 [0,1,0,0,0,0|1,0,1]=3 580 B11R1.37 C=Cc1cc(ccc1OC)N 271570a_100011290941_100000187427 [0,1,0,0,0,0|1,0,1]=3 581 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [0,1,0,0,0,0|1,0,1]=3 582 B11R1.37 C=Cc1cc(ccc1SC)C 271570a_100011290941_200010201864 [0,1,0,0,0,0|1,1,1]=4 583 B11R1.37 C=Cc1cc(ccc1SC)F 271570a_100011290941_100009817003 [0,1,0,0,0,0|1,1,1]=4 584 B11R1.37 C=Cc1cc(ccc1SC)F 62a_100012356183_200000210301 [0,1,0,0,0,0|1,1,1]=4 585 B11R1.37 C=Cc1cc(ccc1SC)F 62a_200000210301_100012356183 [0,1,0,0,0,0|1,1,1]=4 586 B11R1.37 C=Cc1cc(ccc1S[13CH3])F 62a_100012356183_200025704644 [0,1,0,0,0,0|1,1,1]=4 587 B11R1.37 C=Cc1cc(ccc1S[13CH3])F 62a_200025704644_100012356183 [0,1,0,0,0,0|1,1,1]=4 588 B11R1.37 C=Cc1cc(cnc1OC)Br 271570a_100011290941_100009814608 [0,1,0,0,0,0|2,0,1]=4 589 B11R1.37 C=Cc1cc(cnc1OC)C 271570a_100011290941_100012353929 [0,1,0,0,0,0|2,0,1]=4 590 B11R1.37 C=Cc1cc(cnc1OC)F 271570a_100011290941_100009828472 [0,1,0,0,0,0|2,0,1]=4 591 B11R1.37 C=Cc1cc(cnc1OC)N 271570a_100011290941_100012351452 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.37 C=Cc1cc(ncc1OC)C 271570a_100011290941_100010109759 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.37 C=Cc1ccc(cc1CC)Br 271570a_100011290941_100011216195 [0,1,0,0,0,0|2,0,1]=4 594 B11R1.37 C=Cc1ccc(cc1CC)N 271570a_100011290941_100010109747 [0,1,0,0,0,0|2,0,1]=4 595 B11R1.37 C=Cc1ccc(cc1NC)F 271570a_100011290941_100020633008 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.37 C=Cc1ccc(cc1OC)Br 271570a_100011290941_100010245111 [0,1,0,0,0,0|1,0,1]=3 597 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [0,1,0,0,0,0|1,0,1]=3 598 B11R1.37 C=Cc1ccc(cc1OC)Cl 271570a_100011290941_100000050115 [0,1,0,0,0,0|1,0,1]=3 599 B11R1.37 C=Cc1ccc(cc1OC)F 271570a_100011290941_100000757151 [0,1,0,0,0,0|1,0,1]=3 600 B11R1.37 C=Cc1ccc(cc1OC)N 271570a_100011290941_100000765947 [0,1,0,0,0,0|1,0,1]=3 601 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [0,1,0,0,0,0|1,0,1]=3 602 B11R1.37 C=Cc1ccc(cc1SC)C 271570a_100011290941_200010709736 [0,1,0,0,0,0|1,1,1]=4 603 B11R1.37 C=Cc1ccc(cc1SC)F 62a_100012354420_200000210301 [0,1,0,0,0,0|1,1,1]=4 604 B11R1.37 C=Cc1ccc(cc1SC)F 62a_200000210301_100012354420 [0,1,0,0,0,0|1,1,1]=4 605 B11R1.37 C=Cc1ccc(cc1S[13CH3])F 62a_100012354420_200025704644 [0,1,0,0,0,0|1,1,1]=4 606 B11R1.37 C=Cc1ccc(cc1S[13CH3])F 62a_200025704644_100012354420 [0,1,0,0,0,0|1,1,1]=4 607 B11R1.37 C=Cc1ccc(nc1OC)C 271570a_100011290941_100010138632 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.37 C=Cc1ccc(nc1OC)N 271570a_100011290941_100010187630 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.37 C=Cc1cnc(cc1OC)C 271570a_100011290941_100000717771 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.37 C=Cc1cnc(cc1OC)Cl 271570a_100011290941_100010154656 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.37 C=Cc1cnc(cc1OC)F 271570a_100011290941_100010135560 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.37 C=Cc1cnc(cc1OC)N 271570a_100011290941_100015506990 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.37 C=Cc1nc(ccc1OC)C 271570a_100011290941_100009820875 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.37 C=Cc1nc(ccc1OC)N 271570a_100011290941_100010172607 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.37 C=Cc1ncc(cc1OC)C 271570a_100011290941_200000118316 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.37 C=Cc1ncc(cc1OC)F 271570a_100011290941_100009867738 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.37 C=Cc1ncc(cc1OC)N 271570a_100011290941_100000097218 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.37 CCc1cc(ccc1NC)Br 2230a_100000686106_200000210301 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.37 CCc1cc(ccc1NC)Br 34a_100000686106_200000210301 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.37 CCc1cc(ccc1NC)Br 7a_100000686106_200000210301 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.37 CCc1cc(ccc1NC)Cl 2230a_100012017146_200000210301 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.37 CCc1cc(ccc1NC)Cl 34a_100012017146_200000210301 [0,1,0,0,0,0|2,0,0]=3 624 B11R1.37 CCc1cc(ccc1NC)Cl 7a_100012017146_200000210301 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.37 CCc1cc(ccc1NC)I 2230a_100000014069_200000210301 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.37 CCc1cc(ccc1NC)I 34a_100000014069_200000210301 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.37 CCc1cc(ccc1NC)I 7a_100000014069_200000210301 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.37 CCc1cc(ccc1NN)O 271570a_203496583355_100000700371 [0,1,0,0,0,0|3,0,0]=4 629 B11R1.37 CCc1cc(ccc1N[13CH3])Br 2230a_100000686106_200025704644 [0,1,0,0,0,0|2,0,0]=3 630 B11R1.37 CCc1cc(ccc1N[13CH3])Br 34a_100000686106_200025704644 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.37 CCc1cc(ccc1N[13CH3])Br 7a_100000686106_200025704644 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 2230a_100012017146_200025704644 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 34a_100012017146_200025704644 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.37 CCc1cc(ccc1N[13CH3])Cl 7a_100012017146_200025704644 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.37 CCc1cc(ccc1N[13CH3])I 2230a_100000014069_200025704644 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.37 CCc1cc(ccc1N[13CH3])I 34a_100000014069_200025704644 [0,1,0,0,0,0|2,0,0]=3 637 B11R1.37 CCc1cc(ccc1N[13CH3])I 7a_100000014069_200025704644 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [0,1,0,0,0,0|1,0,0]=2 639 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [0,1,0,0,0,0|1,0,0]=2 640 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [0,1,0,0,0,0|1,0,0]=2 641 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [0,1,0,0,0,0|1,0,0]=2 642 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [0,1,0,0,0,0|1,0,0]=2 643 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [0,1,0,0,0,0|1,0,0]=2 644 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [0,1,0,0,0,0|1,0,0]=2 646 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [0,1,0,0,0,0|1,0,0]=2 647 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [0,1,0,0,0,0|1,0,0]=2 648 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [0,1,0,0,0,0|1,0,0]=2 649 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [0,1,0,0,0,0|1,0,0]=2 650 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [0,1,0,0,0,0|1,0,0]=2 651 B11R1.37 CCc1cc(ccc1SC)Br 62a_100011216195_200000210301 [0,1,0,0,0,0|1,1,0]=3 652 B11R1.37 CCc1cc(ccc1SC)Br 62a_200000210301_100011216195 [0,1,0,0,0,0|1,1,0]=3 653 B11R1.37 CCc1cc(ccc1SC)N 62a_100010109747_200000210301 [0,1,0,0,0,0|1,1,0]=3 654 B11R1.37 CCc1cc(ccc1SC)N 62a_200000210301_100010109747 [0,1,0,0,0,0|1,1,0]=3 655 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_100011216195_200025704644 [0,1,0,0,0,0|1,1,0]=3 656 B11R1.37 CCc1cc(ccc1S[13CH3])Br 62a_200025704644_100011216195 [0,1,0,0,0,0|1,1,0]=3 657 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_100010109747_200025704644 [0,1,0,0,0,0|1,1,0]=3 658 B11R1.37 CCc1cc(ccc1S[13CH3])N 62a_200025704644_100010109747 [0,1,0,0,0,0|1,1,0]=3 659 B11R1.37 CCc1ccc(cc1CO)O 271570a_203496583355_100010766240 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.37 CCc1ccc(cc1NC)Br 2230a_100012354963_200000210301 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.37 CCc1ccc(cc1NC)Br 34a_100012354963_200000210301 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.37 CCc1ccc(cc1NC)Br 7a_100012354963_200000210301 [0,1,0,0,0,0|2,0,0]=3 663 B11R1.37 CCc1ccc(cc1NC)Cl 2230a_200012281948_200000210301 [0,1,0,0,0,0|2,0,0]=3 664 B11R1.37 CCc1ccc(cc1NC)Cl 34a_200012281948_200000210301 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.37 CCc1ccc(cc1NC)Cl 7a_200012281948_200000210301 [0,1,0,0,0,0|2,0,0]=3 666 B11R1.37 CCc1ccc(cc1N[13CH3])Br 2230a_100012354963_200025704644 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.37 CCc1ccc(cc1N[13CH3])Br 34a_100012354963_200025704644 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.37 CCc1ccc(cc1N[13CH3])Br 7a_100012354963_200025704644 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 2230a_200012281948_200025704644 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 34a_200012281948_200025704644 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.37 CCc1ccc(cc1N[13CH3])Cl 7a_200012281948_200025704644 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [0,1,0,0,0,0|1,0,0]=2 673 B11R1.37 CCc1cnc(cc1NC)C 27a_100102657272_100010291839 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.37 CCc1cnc(cc1SC)C 62a_100010291839_200000210301 [0,1,0,0,0,0|2,1,0]=4 675 B11R1.37 CCc1cnc(cc1SC)C 62a_200000210301_100010291839 [0,1,0,0,0,0|2,1,0]=4 676 B11R1.37 CCc1cnc(cc1S[13CH3])C 62a_100010291839_200025704644 [0,1,0,0,0,0|2,1,0]=4 677 B11R1.37 CCc1cnc(cc1S[13CH3])C 62a_200025704644_100010291839 [0,1,0,0,0,0|2,1,0]=4 678 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.37 CCc1ncc(cc1SC)N 62a_100013085292_200000210301 [0,1,0,0,0,0|2,1,0]=4 683 B11R1.37 CCc1ncc(cc1SC)N 62a_200000210301_100013085292 [0,1,0,0,0,0|2,1,0]=4 684 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_100013085292_200025704644 [0,1,0,0,0,0|2,1,0]=4 685 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_200025704644_100013085292 [0,1,0,0,0,0|2,1,0]=4 686 B11R1.37 CNc1cc(ccc1C#N)Br 27a_100102657272_100010214477 [0,1,0,0,0,0|3,0,0]=4 687 B11R1.37 CNc1cc(ccc1C#N)Br 7a_100000699244_200000210301 [0,1,0,0,0,0|3,0,0]=4 688 B11R1.37 CNc1cc(ccc1C#N)C 34a_100011218341_200000210301 [0,1,0,0,0,0|3,0,0]=4 689 B11R1.37 CNc1cc(ccc1C#N)C 7a_100011218341_200000210301 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.37 CNc1cc(ccc1C#N)Cl 27a_100102657272_100012355178 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.37 CNc1cc(ccc1C#N)Cl 34a_100000211392_200000210301 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.37 CNc1cc(ccc1C#N)Cl 7a_100000211392_200000210301 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.37 CNc1cc(ccc1C#N)F 27a_100102657272_100011935285 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.37 CNc1cc(ccc1C#N)F 34a_100011935279_200000210301 [0,1,0,0,0,0|3,0,0]=4 695 B11R1.37 CNc1cc(ccc1C#N)F 7a_100011935279_200000210301 [0,1,0,0,0,0|3,0,0]=4 696 B11R1.37 CNc1cc(ccc1C#N)O 271570a_203496583355_200012356631 [0,1,0,0,0,0|3,0,0]=4 697 B11R1.37 CNc1cc(ccc1CO)Br 34a_100000718831_200000210301 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.37 CNc1cc(ccc1CO)C 34a_100000087799_200000210301 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.37 CNc1cc(ccc1CO)Cl 34a_100000238622_200000210301 [0,1,0,0,0,0|3,0,0]=4 700 B11R1.37 CNc1cc(ccc1CO)F 34a_100011996588_200000210301 [0,1,0,0,0,0|3,0,0]=4 701 B11R1.37 CNc1cc(ccc1OC)Br 34a_100000743470_200000210301 [0,1,0,0,0,0|1,0,0]=2 702 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [0,1,0,0,0,0|1,0,0]=2 703 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [0,1,0,0,0,0|1,0,0]=2 704 B11R1.37 CNc1cc(ccc1OC)Cl 34a_100000182114_200000210301 [0,1,0,0,0,0|1,0,0]=2 705 B11R1.37 CNc1cc(ccc1OC)F 34a_100000757179_200000210301 [0,1,0,0,0,0|1,0,0]=2 706 B11R1.37 CNc1cc(ccc1SC)Cl 34a_100000745667_200000210301 [0,1,0,0,0,0|1,1,0]=3 707 B11R1.37 CNc1cc(ccc1SC)F 62a_100020633008_200000210301 [0,1,0,0,0,0|1,1,0]=3 708 B11R1.37 CNc1cc(ccc1SC)F 62a_200000210301_100020633008 [0,1,0,0,0,0|1,1,0]=3 709 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_100020633008_200025704644 [0,1,0,0,0,0|1,1,0]=3 710 B11R1.37 CNc1cc(ccc1S[13CH3])F 62a_200025704644_100020633008 [0,1,0,0,0,0|1,1,0]=3 711 B11R1.37 CNc1ccc(cc1C#N)Br 27a_100102657272_100011219714 [0,1,0,0,0,0|3,0,0]=4 712 B11R1.37 CNc1ccc(cc1C#N)Br 7a_100000688460_200000210301 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.37 CNc1ccc(cc1C#N)C 7a_100011934023_200000210301 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.37 CNc1ccc(cc1C#N)Cl 7a_100011219925_200000210301 [0,1,0,0,0,0|3,0,0]=4 715 B11R1.37 CNc1ccc(cc1C#N)F 34a_100000685569_200000210301 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.37 CNc1ccc(cc1C#N)F 7a_100000685569_200000210301 [0,1,0,0,0,0|3,0,0]=4 717 B11R1.37 CNc1ccc(cc1C#N)I 7a_100000049818_200000210301 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.37 CNc1ccc(cc1C#N)O 271570a_203496583355_100013037436 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.37 CNc1ccc(cc1CO)Br 34a_100012353972_200000210301 [0,1,0,0,0,0|3,0,0]=4 720 B11R1.37 CNc1ccc(cc1CO)C 34a_100011215565_200000210301 [0,1,0,0,0,0|3,0,0]=4 721 B11R1.37 CNc1ccc(cc1CO)Cl 34a_100011214999_200000210301 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.37 CNc1ccc(cc1CO)F 34a_100011296978_200000210301 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.37 CNc1ccc(cc1OC)Br 34a_100011279103_200000210301 [0,1,0,0,0,0|1,0,0]=2 724 B11R1.37 CNc1ccc(cc1OC)C 2230a_100000746441_200000210301 [0,1,0,0,0,0|1,0,0]=2 725 B11R1.37 CNc1ccc(cc1OC)C 34a_100000746441_200000210301 [0,1,0,0,0,0|1,0,0]=2 726 B11R1.37 CNc1ccc(cc1OC)Cl 34a_100000707585_200000210301 [0,1,0,0,0,0|1,0,0]=2 727 B11R1.37 CNc1ccc(cc1OC)F 34a_100000737216_200000210301 [0,1,0,0,0,0|1,0,0]=2 728 B11R1.37 CNc1ccc(cc1OC)I 34a_100015196925_200000210301 [0,1,0,0,0,0|1,0,0]=2 729 B11R1.37 CNc1ccc(cc1OC)O 34a_100015326901_200000210301 [0,1,0,0,0,0|1,0,0]=2 730 B11R1.37 CNc1ccc(cc1SC)C 62a_100000221369_200000210301 [0,1,0,0,0,0|1,1,0]=3 731 B11R1.37 CNc1ccc(cc1SC)C 62a_200000210301_100000221369 [0,1,0,0,0,0|1,1,0]=3 732 B11R1.37 CNc1ccc(cc1SC)F 62a_100011246292_200000210301 [0,1,0,0,0,0|1,1,0]=3 733 B11R1.37 CNc1ccc(cc1SC)F 62a_200000210301_100011246292 [0,1,0,0,0,0|1,1,0]=3 734 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_100000221369_200025704644 [0,1,0,0,0,0|1,1,0]=3 735 B11R1.37 CNc1ccc(cc1S[13CH3])C 62a_200025704644_100000221369 [0,1,0,0,0,0|1,1,0]=3 736 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_100011246292_200025704644 [0,1,0,0,0,0|1,1,0]=3 737 B11R1.37 CNc1ccc(cc1S[13CH3])F 62a_200025704644_100011246292 [0,1,0,0,0,0|1,1,0]=3 738 B11R1.37 CNc1ncc(cc1SC)C 27a_100102657272_100010884634 [0,1,0,0,0,0|2,1,0]=4 739 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_100121573661_200000210301 [0,1,0,0,0,0|1,1,0]=3 740 B11R1.37 COc1c[nH]c(=O)cc1SC 62a_200000210301_100121573661 [0,1,0,0,0,0|1,1,0]=3 741 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_100121573661_200025704644 [0,1,0,0,0,0|1,1,0]=3 742 B11R1.37 COc1c[nH]c(=O)cc1S[13CH3] 62a_200025704644_100121573661 [0,1,0,0,0,0|1,1,0]=3 743 B11R1.37 COc1cc(ccc1C#N)Br 34a_100011934713_200000210301 [0,1,0,0,0,0|2,0,0]=3 744 B11R1.37 COc1cc(ccc1C#N)Br 7a_100011934713_200000210301 [0,1,0,0,0,0|2,0,0]=3 745 B11R1.37 COc1cc(ccc1C#N)C 34a_100011640519_200000210301 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.37 COc1cc(ccc1C#N)C 7a_100011640519_200000210301 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.37 COc1cc(ccc1C#N)Cl 34a_100000688488_200000210301 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.37 COc1cc(ccc1C#N)Cl 7a_100000688488_200000210301 [0,1,0,0,0,0|2,0,0]=3 749 B11R1.37 COc1cc(ccc1C#N)F 34a_100012185923_200000210301 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.37 COc1cc(ccc1C#N)F 7a_100012185923_200000210301 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.37 COc1cc(ccc1C#N)N 34a_100000094571_200000210301 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.37 COc1cc(ccc1C#N)N 7a_100000094571_200000210301 [0,1,0,0,0,0|2,0,0]=3 753 B11R1.37 COc1cc(ccc1C#N)O 271570a_203496583355_100000694671 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [0,1,0,0,0,0|2,0,0]=3 755 B11R1.37 COc1cc(ccc1CO)Br 34a_100000071718_200000210301 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.37 COc1cc(ccc1CO)Br 7a_100000071718_200000210301 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.37 COc1cc(ccc1N[13CH3])Br 34a_100011279103_200025704644 [0,1,0,0,0,0|1,0,0]=2 759 B11R1.37 COc1cc(ccc1N[13CH3])C 2230a_100000746441_200025704644 [0,1,0,0,0,0|1,0,0]=2 760 B11R1.37 COc1cc(ccc1N[13CH3])C 34a_100000746441_200025704644 [0,1,0,0,0,0|1,0,0]=2 761 B11R1.37 COc1cc(ccc1N[13CH3])Cl 34a_100000707585_200025704644 [0,1,0,0,0,0|1,0,0]=2 762 B11R1.37 COc1cc(ccc1N[13CH3])F 34a_100000737216_200025704644 [0,1,0,0,0,0|1,0,0]=2 763 B11R1.37 COc1cc(ccc1N[13CH3])I 34a_100015196925_200025704644 [0,1,0,0,0,0|1,0,0]=2 764 B11R1.37 COc1cc(ccc1N[13CH3])O 34a_100015326901_200025704644 [0,1,0,0,0,0|1,0,0]=2 765 B11R1.37 COc1cc(ccc1O[13CH3])Br 34a_100000694246_200025704644 [0,1,0,0,0,0|0,0,0]=1 766 B11R1.37 COc1cc(ccc1O[13CH3])Br 7a_100000694246_200025704644 [0,1,0,0,0,0|0,0,0]=1 767 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [0,1,0,0,0,0|0,0,0]=1 768 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [0,1,0,0,0,0|0,0,0]=1 769 B11R1.37 COc1cc(ccc1O[13CH3])F 34a_100000036057_200025704644 [0,1,0,0,0,0|0,0,0]=1 770 B11R1.37 COc1cc(ccc1O[13CH3])F 7a_100000036057_200025704644 [0,1,0,0,0,0|0,0,0]=1 771 B11R1.37 COc1cc(ccc1O[13CH3])I 34a_100000049635_200025704644 [0,1,0,0,0,0|0,0,0]=1 772 B11R1.37 COc1cc(ccc1O[13CH3])N 34a_100000726020_200025704644 [0,1,0,0,0,0|0,0,0]=1 773 B11R1.37 COc1cc(ccc1SC)Br 62a_100010245111_200000210301 [0,1,0,0,0,0|0,1,0]=2 774 B11R1.37 COc1cc(ccc1SC)Br 62a_200000210301_100010245111 [0,1,0,0,0,0|0,1,0]=2 775 B11R1.37 COc1cc(ccc1SC)C 62a_100010200004_200000210301 [0,1,0,0,0,0|0,1,0]=2 776 B11R1.37 COc1cc(ccc1SC)C 62a_200000210301_100010200004 [0,1,0,0,0,0|0,1,0]=2 777 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [0,1,0,0,0,0|0,1,0]=2 778 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [0,1,0,0,0,0|0,1,0]=2 779 B11R1.37 COc1cc(ccc1SC)F 62a_100000757151_200000210301 [0,1,0,0,0,0|0,1,0]=2 780 B11R1.37 COc1cc(ccc1SC)F 62a_200000210301_100000757151 [0,1,0,0,0,0|0,1,0]=2 781 B11R1.37 COc1cc(ccc1SC)N 62a_100000765947_200000210301 [0,1,0,0,0,0|0,1,0]=2 782 B11R1.37 COc1cc(ccc1SC)N 62a_200000210301_100000765947 [0,1,0,0,0,0|0,1,0]=2 783 B11R1.37 COc1cc(ccc1SC)O 271570a_203496583355_200011001119 [0,1,0,0,0,0|0,1,0]=2 784 B11R1.37 COc1cc(ccc1SC)O 62a_200000210301_100011827694 [0,1,0,0,0,0|0,1,0]=2 785 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_100010245111_200025704644 [0,1,0,0,0,0|0,1,0]=2 786 B11R1.37 COc1cc(ccc1S[13CH3])Br 62a_200025704644_100010245111 [0,1,0,0,0,0|0,1,0]=2 787 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_100010200004_200025704644 [0,1,0,0,0,0|0,1,0]=2 788 B11R1.37 COc1cc(ccc1S[13CH3])C 62a_200025704644_100010200004 [0,1,0,0,0,0|0,1,0]=2 789 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [0,1,0,0,0,0|0,1,0]=2 790 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [0,1,0,0,0,0|0,1,0]=2 791 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_100000757151_200025704644 [0,1,0,0,0,0|0,1,0]=2 792 B11R1.37 COc1cc(ccc1S[13CH3])F 62a_200025704644_100000757151 [0,1,0,0,0,0|0,1,0]=2 793 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_100000765947_200025704644 [0,1,0,0,0,0|0,1,0]=2 794 B11R1.37 COc1cc(ccc1S[13CH3])N 62a_200025704644_100000765947 [0,1,0,0,0,0|0,1,0]=2 795 B11R1.37 COc1cc(ccc1S[13CH3])O 62a_200025704644_100011827694 [0,1,0,0,0,0|0,1,0]=2 796 B11R1.37 COc1cc(cnc1C#N)Br 34a_200013853302_200000210301 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.37 COc1cc(cnc1C#N)Br 7a_200013853302_200000210301 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.37 COc1cc(cnc1C#N)O 271570a_203496583355_100000719880 [0,1,0,0,0,0|3,0,0]=4 799 B11R1.37 COc1cc(cnc1C=O)O 271570a_203496583355_100010246152 [0,1,0,0,0,0|3,0,0]=4 800 B11R1.37 COc1cc(cnc1CO)O 271570a_203496583355_200010246159 [0,1,0,0,0,0|3,0,0]=4 801 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [0,1,0,0,0,0|1,0,0]=2 802 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [0,1,0,0,0,0|1,0,0]=2 803 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [0,1,0,0,0,0|1,0,0]=2 804 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [0,1,0,0,0,0|1,0,0]=2 805 B11R1.37 COc1cc(cnc1SC)C 62a_200000210301_200000118316 [0,1,0,0,0,0|1,1,0]=3 806 B11R1.37 COc1cc(cnc1SC)F 62a_100010136273_200000210301 [0,1,0,0,0,0|1,1,0]=3 807 B11R1.37 COc1cc(cnc1SC)F 62a_200000210301_100009867738 [0,1,0,0,0,0|1,1,0]=3 808 B11R1.37 COc1cc(cnc1SC)N 62a_200000210301_100000097218 [0,1,0,0,0,0|1,1,0]=3 809 B11R1.37 COc1cc(cnc1SC)N 62a_200010291755_200000210301 [0,1,0,0,0,0|1,1,0]=3 810 B11R1.37 COc1cc(cnc1S[13CH3])C 62a_200025704644_200000118316 [0,1,0,0,0,0|1,1,0]=3 811 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_100010136273_200025704644 [0,1,0,0,0,0|1,1,0]=3 812 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_200025704644_100009867738 [0,1,0,0,0,0|1,1,0]=3 813 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200010291755_200025704644 [0,1,0,0,0,0|1,1,0]=3 814 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200025704644_100000097218 [0,1,0,0,0,0|1,1,0]=3 815 B11R1.37 COc1cc(ncc1C#N)O 271570a_203496583355_100009830018 [0,1,0,0,0,0|3,0,0]=4 816 B11R1.37 COc1cc(ncc1CO)O 271570a_203496583355_100010714672 [0,1,0,0,0,0|3,0,0]=4 817 B11R1.37 COc1cc(ncc1SC)C 62a_100000717771_200000210301 [0,1,0,0,0,0|1,1,0]=3 818 B11R1.37 COc1cc(ncc1SC)C 62a_200000210301_100000717771 [0,1,0,0,0,0|1,1,0]=3 819 B11R1.37 COc1cc(ncc1SC)Cl 62a_100010154656_200000210301 [0,1,0,0,0,0|1,1,0]=3 820 B11R1.37 COc1cc(ncc1SC)Cl 62a_200000210301_100010154656 [0,1,0,0,0,0|1,1,0]=3 821 B11R1.37 COc1cc(ncc1SC)F 62a_100010135560_200000210301 [0,1,0,0,0,0|1,1,0]=3 822 B11R1.37 COc1cc(ncc1SC)F 62a_200000210301_100010135560 [0,1,0,0,0,0|1,1,0]=3 823 B11R1.37 COc1cc(ncc1SC)N 62a_100015506990_200000210301 [0,1,0,0,0,0|1,1,0]=3 824 B11R1.37 COc1cc(ncc1SC)N 62a_200000210301_100015506990 [0,1,0,0,0,0|1,1,0]=3 825 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_100000717771_200025704644 [0,1,0,0,0,0|1,1,0]=3 826 B11R1.37 COc1cc(ncc1S[13CH3])C 62a_200025704644_100000717771 [0,1,0,0,0,0|1,1,0]=3 827 B11R1.37 COc1cc(ncc1S[13CH3])Cl 62a_100010154656_200025704644 [0,1,0,0,0,0|1,1,0]=3 828 B11R1.37 COc1cc(ncc1S[13CH3])Cl 62a_200025704644_100010154656 [0,1,0,0,0,0|1,1,0]=3 829 B11R1.37 COc1cc(ncc1S[13CH3])F 62a_100010135560_200025704644 [0,1,0,0,0,0|1,1,0]=3 830 B11R1.37 COc1cc(ncc1S[13CH3])F 62a_200025704644_100010135560 [0,1,0,0,0,0|1,1,0]=3 831 B11R1.37 COc1cc(ncc1S[13CH3])N 62a_100015506990_200025704644 [0,1,0,0,0,0|1,1,0]=3 832 B11R1.37 COc1cc(ncc1S[13CH3])N 62a_200025704644_100015506990 [0,1,0,0,0,0|1,1,0]=3 833 B11R1.37 COc1cc(nnc1OC)O 271570a_203496583355_200000095610 [0,1,0,0,0,0|2,0,0]=3 834 B11R1.37 COc1ccc(cc1C#N)Br 34a_100000687585_200000210301 [0,1,0,0,0,0|2,0,0]=3 835 B11R1.37 COc1ccc(cc1C#N)Br 7a_100000687585_200000210301 [0,1,0,0,0,0|2,0,0]=3 836 B11R1.37 COc1ccc(cc1C#N)C 34a_200012180384_200000210301 [0,1,0,0,0,0|2,0,0]=3 837 B11R1.37 COc1ccc(cc1C#N)C 7a_200012180384_200000210301 [0,1,0,0,0,0|2,0,0]=3 838 B11R1.37 COc1ccc(cc1C#N)Cl 34a_100011219380_200000210301 [0,1,0,0,0,0|2,0,0]=3 839 B11R1.37 COc1ccc(cc1C#N)Cl 7a_100011219380_200000210301 [0,1,0,0,0,0|2,0,0]=3 840 B11R1.37 COc1ccc(cc1C#N)F 34a_100011900173_200000210301 [0,1,0,0,0,0|2,0,0]=3 841 B11R1.37 COc1ccc(cc1C#N)F 7a_100011900173_200000210301 [0,1,0,0,0,0|2,0,0]=3 842 B11R1.37 COc1ccc(cc1C#N)I 34a_200000049958_200000210301 [0,1,0,0,0,0|2,0,0]=3 843 B11R1.37 COc1ccc(cc1C#N)I 7a_200000049958_200000210301 [0,1,0,0,0,0|2,0,0]=3 844 B11R1.37 COc1ccc(cc1C#N)N 34a_100011249283_200000210301 [0,1,0,0,0,0|2,0,0]=3 845 B11R1.37 COc1ccc(cc1C#N)N 7a_100011249283_200000210301 [0,1,0,0,0,0|2,0,0]=3 846 B11R1.37 COc1ccc(cc1C#N)O 271570a_203496583355_100000188252 [0,1,0,0,0,0|2,0,0]=3 847 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [0,1,0,0,0,0|2,0,0]=3 848 B11R1.37 COc1ccc(cc1CBr)F 34a_100010161318_200000210301 [0,1,0,0,0,0|2,0,0]=3 849 B11R1.37 COc1ccc(cc1CBr)F 7a_100010161318_200000210301 [0,1,0,0,0,0|2,0,0]=3 850 B11R1.37 COc1ccc(cc1CN)Br 34a_100000730032_200000210301 [0,1,0,0,0,0|2,0,0]=3 851 B11R1.37 COc1ccc(cc1CN)Cl 34a_100000238540_200000210301 [0,1,0,0,0,0|2,0,0]=3 852 B11R1.37 COc1ccc(cc1CN)O 271570a_203496583355_100000690498 [0,1,0,0,0,0|2,0,0]=3 853 B11R1.37 COc1ccc(cc1CO)Br 34a_100000184703_200000210301 [0,1,0,0,0,0|2,0,0]=3 854 B11R1.37 COc1ccc(cc1CO)Br 7a_100000184703_200000210301 [0,1,0,0,0,0|2,0,0]=3 855 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [0,1,0,0,0,0|2,0,0]=3 856 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [0,1,0,0,0,0|2,0,0]=3 857 B11R1.37 COc1ccc(cc1CO)Cl 34a_100011218961_200000210301 [0,1,0,0,0,0|2,0,0]=3 858 B11R1.37 COc1ccc(cc1CO)Cl 7a_100011218961_200000210301 [0,1,0,0,0,0|2,0,0]=3 859 B11R1.37 COc1ccc(cc1CO)F 34a_100011291448_200000210301 [0,1,0,0,0,0|2,0,0]=3 860 B11R1.37 COc1ccc(cc1CO)F 7a_100011291448_200000210301 [0,1,0,0,0,0|2,0,0]=3 861 B11R1.37 COc1ccc(cc1CO)I 34a_100000049520_200000210301 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.37 COc1ccc(cc1CO)I 7a_100000049520_200000210301 [0,1,0,0,0,0|2,0,0]=3 863 B11R1.37 COc1ccc(cc1CO)O 271570a_203496583355_100000204679 [0,1,0,0,0,0|2,0,0]=3 864 B11R1.37 COc1ccc(cc1N[13CH3])Br 34a_100000743470_200025704644 [0,1,0,0,0,0|1,0,0]=2 865 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [0,1,0,0,0,0|1,0,0]=2 866 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [0,1,0,0,0,0|1,0,0]=2 867 B11R1.37 COc1ccc(cc1N[13CH3])Cl 34a_100000182114_200025704644 [0,1,0,0,0,0|1,0,0]=2 868 B11R1.37 COc1ccc(cc1N[13CH3])F 34a_100000757179_200025704644 [0,1,0,0,0,0|1,0,0]=2 869 B11R1.37 COc1ccc(cc1OC)Br 34a_100000694246_200000210301 [0,1,0,0,0,0|0,0,0]=1 870 B11R1.37 COc1ccc(cc1OC)Br 34a_100009816560_200000210301 [0,1,0,0,0,0|0,0,0]=1 871 B11R1.37 COc1ccc(cc1OC)Br 7a_100000694246_200000210301 [0,1,0,0,0,0|0,0,0]=1 872 B11R1.37 COc1ccc(cc1OC)Br 7a_100009816560_200000210301 [0,1,0,0,0,0|0,0,0]=1 873 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [0,1,0,0,0,0|0,0,0]=1 874 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [0,1,0,0,0,0|0,0,0]=1 875 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [0,1,0,0,0,0|0,0,0]=1 876 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [0,1,0,0,0,0|0,0,0]=1 877 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [0,1,0,0,0,0|0,0,0]=1 878 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [0,1,0,0,0,0|0,0,0]=1 879 B11R1.37 COc1ccc(cc1OC)F 34a_100000034962_200000210301 [0,1,0,0,0,0|0,0,0]=1 880 B11R1.37 COc1ccc(cc1OC)F 34a_100000036057_200000210301 [0,1,0,0,0,0|0,0,0]=1 881 B11R1.37 COc1ccc(cc1OC)F 7a_100000034962_200000210301 [0,1,0,0,0,0|0,0,0]=1 882 B11R1.37 COc1ccc(cc1OC)F 7a_100000036057_200000210301 [0,1,0,0,0,0|0,0,0]=1 883 B11R1.37 COc1ccc(cc1OC)I 34a_100000049635_200000210301 [0,1,0,0,0,0|0,0,0]=1 884 B11R1.37 COc1ccc(cc1OC)N 34a_100000211920_200000210301 [0,1,0,0,0,0|0,0,0]=1 885 B11R1.37 COc1ccc(cc1OC)N 34a_100000726020_200000210301 [0,1,0,0,0,0|0,0,0]=1 886 B11R1.37 COc1ccc(cc1OC)O 271570a_203496583355_100000187503 [0,1,0,0,0,0|0,0,0]=1 887 B11R1.37 COc1ccc(cc1O[13CH3])Br 34a_100009816560_200025704644 [0,1,0,0,0,0|0,0,0]=1 888 B11R1.37 COc1ccc(cc1O[13CH3])Br 7a_100009816560_200025704644 [0,1,0,0,0,0|0,0,0]=1 889 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [0,1,0,0,0,0|0,0,0]=1 890 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [0,1,0,0,0,0|0,0,0]=1 891 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [0,1,0,0,0,0|0,0,0]=1 892 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [0,1,0,0,0,0|0,0,0]=1 893 B11R1.37 COc1ccc(cc1O[13CH3])F 34a_100000034962_200025704644 [0,1,0,0,0,0|0,0,0]=1 894 B11R1.37 COc1ccc(cc1O[13CH3])F 7a_100000034962_200025704644 [0,1,0,0,0,0|0,0,0]=1 895 B11R1.37 COc1ccc(cc1O[13CH3])N 34a_100000211920_200025704644 [0,1,0,0,0,0|0,0,0]=1 896 B11R1.37 COc1ccc(cc1SC)Br 62a_100012351588_200000210301 [0,1,0,0,0,0|0,1,0]=2 897 B11R1.37 COc1ccc(cc1SC)Br 62a_200000210301_100012351588 [0,1,0,0,0,0|0,1,0]=2 898 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [0,1,0,0,0,0|0,1,0]=2 899 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [0,1,0,0,0,0|0,1,0]=2 900 B11R1.37 COc1ccc(cc1SC)Cl 62a_100011215930_200000210301 [0,1,0,0,0,0|0,1,0]=2 901 B11R1.37 COc1ccc(cc1SC)Cl 62a_200000210301_100011215930 [0,1,0,0,0,0|0,1,0]=2 902 B11R1.37 COc1ccc(cc1SC)F 62a_100000171694_200000210301 [0,1,0,0,0,0|0,1,0]=2 903 B11R1.37 COc1ccc(cc1SC)F 62a_200000210301_100000171694 [0,1,0,0,0,0|0,1,0]=2 904 B11R1.37 COc1ccc(cc1SC)N 62a_100011356947_200000210301 [0,1,0,0,0,0|0,1,0]=2 905 B11R1.37 COc1ccc(cc1SC)N 62a_200000210301_100011356947 [0,1,0,0,0,0|0,1,0]=2 906 B11R1.37 COc1ccc(cc1SC)O 271570a_203496583355_200009892704 [0,1,0,0,0,0|0,1,0]=2 907 B11R1.37 COc1ccc(cc1SC)O 62a_100010234764_200000210301 [0,1,0,0,0,0|0,1,0]=2 908 B11R1.37 COc1ccc(cc1SC)O 62a_200000210301_100010234764 [0,1,0,0,0,0|0,1,0]=2 909 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_100012351588_200025704644 [0,1,0,0,0,0|0,1,0]=2 910 B11R1.37 COc1ccc(cc1S[13CH3])Br 62a_200025704644_100012351588 [0,1,0,0,0,0|0,1,0]=2 911 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [0,1,0,0,0,0|0,1,0]=2 912 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [0,1,0,0,0,0|0,1,0]=2 913 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_100011215930_200025704644 [0,1,0,0,0,0|0,1,0]=2 914 B11R1.37 COc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011215930 [0,1,0,0,0,0|0,1,0]=2 915 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_100000171694_200025704644 [0,1,0,0,0,0|0,1,0]=2 916 B11R1.37 COc1ccc(cc1S[13CH3])F 62a_200025704644_100000171694 [0,1,0,0,0,0|0,1,0]=2 917 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_100011356947_200025704644 [0,1,0,0,0,0|0,1,0]=2 918 B11R1.37 COc1ccc(cc1S[13CH3])N 62a_200025704644_100011356947 [0,1,0,0,0,0|0,1,0]=2 919 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_100010234764_200025704644 [0,1,0,0,0,0|0,1,0]=2 920 B11R1.37 COc1ccc(cc1S[13CH3])O 62a_200025704644_100010234764 [0,1,0,0,0,0|0,1,0]=2 921 B11R1.37 COc1ccc(nc1C#N)O 271570a_203496583355_100011093937 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.37 COc1ccc(nc1CCl)C 34a_100020630696_200000210301 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.37 COc1ccc(nc1CCl)C 7a_100020630696_200000210301 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.37 COc1ccc(nc1CO)C 34a_100000751967_200000210301 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [0,1,0,0,0,0|1,0,0]=2 926 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [0,1,0,0,0,0|1,0,0]=2 927 B11R1.37 COc1ccc(nc1SC)C 62a_100009820875_200000210301 [0,1,0,0,0,0|1,1,0]=3 928 B11R1.37 COc1ccc(nc1SC)C 62a_200000210301_100009820875 [0,1,0,0,0,0|1,1,0]=3 929 B11R1.37 COc1ccc(nc1SC)N 62a_100010172607_200000210301 [0,1,0,0,0,0|1,1,0]=3 930 B11R1.37 COc1ccc(nc1SC)N 62a_200000210301_100010172607 [0,1,0,0,0,0|1,1,0]=3 931 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_100009820875_200025704644 [0,1,0,0,0,0|1,1,0]=3 932 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_200025704644_100009820875 [0,1,0,0,0,0|1,1,0]=3 933 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_100010172607_200025704644 [0,1,0,0,0,0|1,1,0]=3 934 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_200025704644_100010172607 [0,1,0,0,0,0|1,1,0]=3 935 B11R1.37 COc1cnc(cc1OC)Br 34a_100010264082_200000210301 [0,1,0,0,0,0|1,0,0]=2 936 B11R1.37 COc1cnc(cc1OC)Cl 34a_100009849459_200000210301 [0,1,0,0,0,0|1,0,0]=2 937 B11R1.37 COc1cnc(cc1O[13CH3])Br 34a_100010264082_200025704644 [0,1,0,0,0,0|1,0,0]=2 938 B11R1.37 COc1cnc(cc1O[13CH3])Cl 34a_100009849459_200025704644 [0,1,0,0,0,0|1,0,0]=2 939 B11R1.37 COc1cnc(cc1SC)C 62a_100010109759_200000210301 [0,1,0,0,0,0|1,1,0]=3 940 B11R1.37 COc1cnc(cc1SC)C 62a_200000210301_100010109759 [0,1,0,0,0,0|1,1,0]=3 941 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_100010109759_200025704644 [0,1,0,0,0,0|1,1,0]=3 942 B11R1.37 COc1cnc(cc1S[13CH3])C 62a_200025704644_100010109759 [0,1,0,0,0,0|1,1,0]=3 943 B11R1.37 COc1cnc(nc1OC)O 271570a_203496583355_100010280452 [0,1,0,0,0,0|2,0,0]=3 944 B11R1.37 COc1nc(ccc1C#N)O 271570a_203496583355_100000708423 [0,1,0,0,0,0|3,0,0]=4 945 B11R1.37 COc1nc(ccc1C=O)O 271570a_203496583355_100009864722 [0,1,0,0,0,0|3,0,0]=4 946 B11R1.37 COc1nc(ccc1CN)O 271570a_203496583355_100015687481 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.37 COc1nc(ccc1CO)O 271570a_203496583355_100010988397 [0,1,0,0,0,0|3,0,0]=4 948 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [0,1,0,0,0,0|1,0,0]=2 949 B11R1.37 COc1nc(ccc1SC)C 62a_100010138632_200000210301 [0,1,0,0,0,0|1,1,0]=3 950 B11R1.37 COc1nc(ccc1SC)C 62a_200000210301_100010138632 [0,1,0,0,0,0|1,1,0]=3 951 B11R1.37 COc1nc(ccc1SC)N 62a_100010187630_200000210301 [0,1,0,0,0,0|1,1,0]=3 952 B11R1.37 COc1nc(ccc1SC)N 62a_200000210301_100010187630 [0,1,0,0,0,0|1,1,0]=3 953 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_100010138632_200025704644 [0,1,0,0,0,0|1,1,0]=3 954 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_200025704644_100010138632 [0,1,0,0,0,0|1,1,0]=3 955 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_100010187630_200025704644 [0,1,0,0,0,0|1,1,0]=3 956 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_200025704644_100010187630 [0,1,0,0,0,0|1,1,0]=3 957 B11R1.37 COc1nc(cnc1SC)Br 62a_100010214903_200000210301 [0,1,0,0,0,0|2,1,0]=4 958 B11R1.37 COc1nc(cnc1SC)Br 62a_200000210301_100010214903 [0,1,0,0,0,0|2,1,0]=4 959 B11R1.37 COc1nc(cnc1SC)N 62a_100010128448_200000210301 [0,1,0,0,0,0|2,1,0]=4 960 B11R1.37 COc1nc(cnc1SC)N 62a_200000210301_100010128448 [0,1,0,0,0,0|2,1,0]=4 961 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_100010214903_200025704644 [0,1,0,0,0,0|2,1,0]=4 962 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_200025704644_100010214903 [0,1,0,0,0,0|2,1,0]=4 963 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_100010128448_200025704644 [0,1,0,0,0,0|2,1,0]=4 964 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_200025704644_100010128448 [0,1,0,0,0,0|2,1,0]=4 965 B11R1.37 COc1nc(ncc1SC)Cl 62a_200000210301_200010294032 [0,1,0,0,0,0|2,1,0]=4 966 B11R1.37 COc1nc(ncc1SC)Cl 62a_200010294032_200000210301 [0,1,0,0,0,0|2,1,0]=4 967 B11R1.37 COc1nc(ncc1SC)N 62a_100010240410_200000210301 [0,1,0,0,0,0|2,1,0]=4 968 B11R1.37 COc1nc(ncc1SC)N 62a_200000210301_100010240410 [0,1,0,0,0,0|2,1,0]=4 969 B11R1.37 COc1nc(ncc1S[13CH3])Cl 62a_200010294032_200025704644 [0,1,0,0,0,0|2,1,0]=4 970 B11R1.37 COc1nc(ncc1S[13CH3])Cl 62a_200025704644_200010294032 [0,1,0,0,0,0|2,1,0]=4 971 B11R1.37 COc1nc(ncc1S[13CH3])N 62a_100010240410_200025704644 [0,1,0,0,0,0|2,1,0]=4 972 B11R1.37 COc1nc(ncc1S[13CH3])N 62a_200025704644_100010240410 [0,1,0,0,0,0|2,1,0]=4 973 B11R1.37 COc1ncc(cc1C#N)O 271570a_203496583355_100011935052 [0,1,0,0,0,0|3,0,0]=4 974 B11R1.37 COc1ncc(cc1C=O)O 271570a_203496583355_100009814609 [0,1,0,0,0,0|3,0,0]=4 975 B11R1.37 COc1ncc(cc1CO)O 271570a_203496583355_100000695684 [0,1,0,0,0,0|3,0,0]=4 976 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [0,1,0,0,0,0|1,0,0]=2 977 B11R1.37 COc1ncc(cc1SC)Br 62a_100009814608_200000210301 [0,1,0,0,0,0|1,1,0]=3 978 B11R1.37 COc1ncc(cc1SC)Br 62a_200000210301_100009814608 [0,1,0,0,0,0|1,1,0]=3 979 B11R1.37 COc1ncc(cc1SC)C 62a_100012353929_200000210301 [0,1,0,0,0,0|1,1,0]=3 980 B11R1.37 COc1ncc(cc1SC)C 62a_200000210301_100012353929 [0,1,0,0,0,0|1,1,0]=3 981 B11R1.37 COc1ncc(cc1SC)F 62a_100009828472_200000210301 [0,1,0,0,0,0|1,1,0]=3 982 B11R1.37 COc1ncc(cc1SC)F 62a_200000210301_100009828472 [0,1,0,0,0,0|1,1,0]=3 983 B11R1.37 COc1ncc(cc1SC)N 62a_100012351452_200000210301 [0,1,0,0,0,0|1,1,0]=3 984 B11R1.37 COc1ncc(cc1SC)N 62a_200000210301_100012351452 [0,1,0,0,0,0|1,1,0]=3 985 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_100009814608_200025704644 [0,1,0,0,0,0|1,1,0]=3 986 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_200025704644_100009814608 [0,1,0,0,0,0|1,1,0]=3 987 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_100012353929_200025704644 [0,1,0,0,0,0|1,1,0]=3 988 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_200025704644_100012353929 [0,1,0,0,0,0|1,1,0]=3 989 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_100009828472_200025704644 [0,1,0,0,0,0|1,1,0]=3 990 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_200025704644_100009828472 [0,1,0,0,0,0|1,1,0]=3 991 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_100012351452_200025704644 [0,1,0,0,0,0|1,1,0]=3 992 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_200025704644_100012351452 [0,1,0,0,0,0|1,1,0]=3 993 B11R1.37 COc1ncc(nc1OC)O 271570a_203496583355_100010132954 [0,1,0,0,0,0|2,0,0]=3 994 B11R1.37 COc1nnc(cc1SC)Cl 62a_100000725446_200000210301 [0,1,0,0,0,0|2,1,0]=4 995 B11R1.37 COc1nnc(cc1SC)Cl 62a_200000210301_100000725446 [0,1,0,0,0,0|2,1,0]=4 996 B11R1.37 COc1nnc(cc1S[13CH3])Cl 62a_100000725446_200025704644 [0,1,0,0,0,0|2,1,0]=4 997 B11R1.37 COc1nnc(cc1S[13CH3])Cl 62a_200025704644_100000725446 [0,1,0,0,0,0|2,1,0]=4 998 B11R1.37 CSc1cc(ccc1C#N)Br 62a_200000210301_100010214477 [0,1,0,0,0,0|2,1,0]=4 999 B11R1.37 CSc1cc(ccc1C#N)C 62a_200000210301_100000693804 [0,1,0,0,0,0|2,1,0]=4 1000 B11R1.37 CSc1cc(ccc1C#N)Cl 62a_200000210301_100012355178 [0,1,0,0,0,0|2,1,0]=4 1001 B11R1.37 CSc1cc(ccc1C#N)F 62a_200000210301_100011935285 [0,1,0,0,0,0|2,1,0]=4 1002 B11R1.37 CSc1cc(ccc1C#N)N 62a_200000210301_100000689153 [0,1,0,0,0,0|2,1,0]=4 1003 B11R1.37 CSc1cc(ccc1C#N)O 62a_200000210301_100012184851 [0,1,0,0,0,0|2,1,0]=4 1004 B11R1.37 CSc1cc(ccc1C=O)Br 62a_100010146562_200000210301 [0,1,0,0,0,0|2,1,0]=4 1005 B11R1.37 CSc1cc(ccc1C=O)Br 62a_200000210301_100010146562 [0,1,0,0,0,0|2,1,0]=4 1006 B11R1.37 CSc1cc(ccc1C=O)C 62a_100011935181_200000210301 [0,1,0,0,0,0|2,1,0]=4 1007 B11R1.37 CSc1cc(ccc1C=O)C 62a_200000210301_100011935181 [0,1,0,0,0,0|2,1,0]=4 1008 B11R1.37 CSc1cc(ccc1C=O)F 62a_100000752949_200000210301 [0,1,0,0,0,0|2,1,0]=4 1009 B11R1.37 CSc1cc(ccc1C=O)F 62a_200000210301_100000752949 [0,1,0,0,0,0|2,1,0]=4 1010 B11R1.37 CSc1cc(ccc1C=O)O 62a_100011236494_200000210301 [0,1,0,0,0,0|2,1,0]=4 1011 B11R1.37 CSc1cc(ccc1C=O)O 62a_200000210301_100011236494 [0,1,0,0,0,0|2,1,0]=4 1012 B11R1.37 CSc1cc(ccc1CN)F 62a_100000708791_200000210301 [0,1,0,0,0,0|2,1,0]=4 1013 B11R1.37 CSc1cc(ccc1CN)F 62a_200000210301_100000708791 [0,1,0,0,0,0|2,1,0]=4 1014 B11R1.37 CSc1cc(ccc1CO)Br 62a_100010146605_200000210301 [0,1,0,0,0,0|2,1,0]=4 1015 B11R1.37 CSc1cc(ccc1CO)Br 62a_200000210301_100010146605 [0,1,0,0,0,0|2,1,0]=4 1016 B11R1.37 CSc1cc(ccc1CO)Cl 62a_100000722340_200000210301 [0,1,0,0,0,0|2,1,0]=4 1017 B11R1.37 CSc1cc(ccc1CO)Cl 62a_200000210301_100000722340 [0,1,0,0,0,0|2,1,0]=4 1018 B11R1.37 CSc1cc(ccc1CO)F 62a_100000744086_200000210301 [0,1,0,0,0,0|2,1,0]=4 1019 B11R1.37 CSc1cc(ccc1CO)F 62a_200000210301_100000744086 [0,1,0,0,0,0|2,1,0]=4 1020 B11R1.37 CSc1cc(ccc1CO)O 62a_100010146404_200000210301 [0,1,0,0,0,0|2,1,0]=4 1021 B11R1.37 CSc1cc(ccc1CO)O 62a_200000210301_100010146404 [0,1,0,0,0,0|2,1,0]=4 1022 B11R1.37 CSc1cc(ccc1NN)C 62a_100016996181_200000210301 [0,1,0,0,0,0|2,1,0]=4 1023 B11R1.37 CSc1cc(ccc1NN)C 62a_200000210301_100016996181 [0,1,0,0,0,0|2,1,0]=4 1024 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200010709736_200025704644 [0,1,0,0,0,0|0,2,0]=3 1025 B11R1.37 CSc1cc(ccc1S[13CH3])C 62a_200025704644_200010709736 [0,1,0,0,0,0|0,2,0]=3 1026 B11R1.37 CSc1cc(cnc1SC)C 62a_100010884634_200000210301 [0,1,0,0,0,0|1,2,0]=4 1027 B11R1.37 CSc1cc(cnc1SC)C 62a_200000210301_100010884634 [0,1,0,0,0,0|1,2,0]=4 1028 B11R1.37 CSc1cc(cnc1S[13CH3])C 62a_100010884634_200025704644 [0,1,0,0,0,0|1,2,0]=4 1029 B11R1.37 CSc1cc(cnc1S[13CH3])C 62a_200025704644_100010884634 [0,1,0,0,0,0|1,2,0]=4 1030 B11R1.37 CSc1ccc(cc1C#N)Br 62a_200000210301_100011219714 [0,1,0,0,0,0|2,1,0]=4 1031 B11R1.37 CSc1ccc(cc1C#N)C 62a_200000210301_100011935190 [0,1,0,0,0,0|2,1,0]=4 1032 B11R1.37 CSc1ccc(cc1C#N)Cl 62a_200000210301_200011356825 [0,1,0,0,0,0|2,1,0]=4 1033 B11R1.37 CSc1ccc(cc1C#N)F 62a_200000210301_100000747550 [0,1,0,0,0,0|2,1,0]=4 1034 B11R1.37 CSc1ccc(cc1C#N)N 62a_200000210301_100011934039 [0,1,0,0,0,0|2,1,0]=4 1035 B11R1.37 CSc1ccc(cc1C#N)O 62a_200000210301_100009818209 [0,1,0,0,0,0|2,1,0]=4 1036 B11R1.37 CSc1ccc(cc1C=O)Br 62a_100010185651_200000210301 [0,1,0,0,0,0|2,1,0]=4 1037 B11R1.37 CSc1ccc(cc1C=O)Br 62a_200000210301_100010185651 [0,1,0,0,0,0|2,1,0]=4 1038 B11R1.37 CSc1ccc(cc1C=O)C 62a_100011551863_200000210301 [0,1,0,0,0,0|2,1,0]=4 1039 B11R1.37 CSc1ccc(cc1C=O)C 62a_200000210301_100011551863 [0,1,0,0,0,0|2,1,0]=4 1040 B11R1.37 CSc1ccc(cc1C=O)Cl 62a_100010254386_200000210301 [0,1,0,0,0,0|2,1,0]=4 1041 B11R1.37 CSc1ccc(cc1C=O)Cl 62a_200000210301_100010254386 [0,1,0,0,0,0|2,1,0]=4 1042 B11R1.37 CSc1ccc(cc1C=O)F 62a_100011218309_200000210301 [0,1,0,0,0,0|2,1,0]=4 1043 B11R1.37 CSc1ccc(cc1C=O)F 62a_200000210301_100011218309 [0,1,0,0,0,0|2,1,0]=4 1044 B11R1.37 CSc1ccc(cc1C=O)O 62a_100000690577_200000210301 [0,1,0,0,0,0|2,1,0]=4 1045 B11R1.37 CSc1ccc(cc1C=O)O 62a_200000210301_100000690577 [0,1,0,0,0,0|2,1,0]=4 1046 B11R1.37 CSc1ccc(cc1CN)F 62a_100000742738_200000210301 [0,1,0,0,0,0|2,1,0]=4 1047 B11R1.37 CSc1ccc(cc1CN)F 62a_200000210301_100000742738 [0,1,0,0,0,0|2,1,0]=4 1048 B11R1.37 CSc1ccc(cc1CO)Br 62a_100011356890_200000210301 [0,1,0,0,0,0|2,1,0]=4 1049 B11R1.37 CSc1ccc(cc1CO)Br 62a_200000210301_100011356890 [0,1,0,0,0,0|2,1,0]=4 1050 B11R1.37 CSc1ccc(cc1CO)C 62a_100012361352_200000210301 [0,1,0,0,0,0|2,1,0]=4 1051 B11R1.37 CSc1ccc(cc1CO)C 62a_200000210301_100012361352 [0,1,0,0,0,0|2,1,0]=4 1052 B11R1.37 CSc1ccc(cc1CO)F 62a_100011217561_200000210301 [0,1,0,0,0,0|2,1,0]=4 1053 B11R1.37 CSc1ccc(cc1CO)F 62a_200000210301_100011217561 [0,1,0,0,0,0|2,1,0]=4 1054 B11R1.37 CSc1ccc(cc1CO)N 62a_100012347228_200000210301 [0,1,0,0,0,0|2,1,0]=4 1055 B11R1.37 CSc1ccc(cc1CO)N 62a_200000210301_100012347228 [0,1,0,0,0,0|2,1,0]=4 1056 B11R1.37 CSc1ccc(cc1CO)O 62a_100012351483_200000210301 [0,1,0,0,0,0|2,1,0]=4 1057 B11R1.37 CSc1ccc(cc1CO)O 62a_200000210301_100012351483 [0,1,0,0,0,0|2,1,0]=4 1058 B11R1.37 CSc1ccc(cc1NN)F 62a_100012362518_200000210301 [0,1,0,0,0,0|2,1,0]=4 1059 B11R1.37 CSc1ccc(cc1NN)F 62a_200000210301_100012362518 [0,1,0,0,0,0|2,1,0]=4 1060 B11R1.37 CSc1ccc(cc1N[13CH3])Cl 34a_100000745667_200025704644 [0,1,0,0,0,0|1,1,0]=3 1061 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010201864 [0,1,0,0,0,0|0,2,0]=3 1062 B11R1.37 CSc1ccc(cc1SC)C 62a_200000210301_200010709736 [0,1,0,0,0,0|0,2,0]=3 1063 B11R1.37 CSc1ccc(cc1SC)C 62a_200010201864_200000210301 [0,1,0,0,0,0|0,2,0]=3 1064 B11R1.37 CSc1ccc(cc1SC)C 62a_200010709736_200000210301 [0,1,0,0,0,0|0,2,0]=3 1065 B11R1.37 CSc1ccc(cc1SC)F 62a_100009817003_200000210301 [0,1,0,0,0,0|0,2,0]=3 1066 B11R1.37 CSc1ccc(cc1SC)F 62a_200000210301_100009817003 [0,1,0,0,0,0|0,2,0]=3 1067 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200010201864_200025704644 [0,1,0,0,0,0|0,2,0]=3 1068 B11R1.37 CSc1ccc(cc1S[13CH3])C 62a_200025704644_200010201864 [0,1,0,0,0,0|0,2,0]=3 1069 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_100009817003_200025704644 [0,1,0,0,0,0|0,2,0]=3 1070 B11R1.37 CSc1ccc(cc1S[13CH3])F 62a_200025704644_100009817003 [0,1,0,0,0,0|0,2,0]=3 1071 B11R1.37 Cc1ccc(c(c1)C#N)N[13CH3] 7a_100011934023_200025704644 [0,1,0,0,0,0|3,0,0]=4 1072 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 34a_200012180384_200025704644 [0,1,0,0,0,0|2,0,0]=3 1073 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 7a_200012180384_200025704644 [0,1,0,0,0,0|2,0,0]=3 1074 B11R1.37 Cc1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100011935190 [0,1,0,0,0,0|2,1,0]=4 1075 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_100011551863_200025704644 [0,1,0,0,0,0|2,1,0]=4 1076 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100011551863 [0,1,0,0,0,0|2,1,0]=4 1077 B11R1.37 Cc1ccc(c(c1)CO)N[13CH3] 34a_100011215565_200025704644 [0,1,0,0,0,0|3,0,0]=4 1078 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [0,1,0,0,0,0|2,0,0]=3 1079 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [0,1,0,0,0,0|2,0,0]=3 1080 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_100012361352_200025704644 [0,1,0,0,0,0|2,1,0]=4 1081 B11R1.37 Cc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_100012361352 [0,1,0,0,0,0|2,1,0]=4 1082 B11R1.37 Cc1ccc(c(c1)N[13CH3])C#N 34a_100011218341_200025704644 [0,1,0,0,0,0|3,0,0]=4 1083 B11R1.37 Cc1ccc(c(c1)N[13CH3])C#N 7a_100011218341_200025704644 [0,1,0,0,0,0|3,0,0]=4 1084 B11R1.37 Cc1ccc(c(c1)N[13CH3])CO 34a_100000087799_200025704644 [0,1,0,0,0,0|3,0,0]=4 1085 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 34a_100011640519_200025704644 [0,1,0,0,0,0|2,0,0]=3 1086 B11R1.37 Cc1ccc(c(c1)O[13CH3])C#N 7a_100011640519_200025704644 [0,1,0,0,0,0|2,0,0]=3 1087 B11R1.37 Cc1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100000693804 [0,1,0,0,0,0|2,1,0]=4 1088 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_100011935181_200025704644 [0,1,0,0,0,0|2,1,0]=4 1089 B11R1.37 Cc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100011935181 [0,1,0,0,0,0|2,1,0]=4 1090 B11R1.37 Cc1ccc(c(c1)S[13CH3])NN 62a_100016996181_200025704644 [0,1,0,0,0,0|2,1,0]=4 1091 B11R1.37 Cc1ccc(c(c1)S[13CH3])NN 62a_200025704644_100016996181 [0,1,0,0,0,0|2,1,0]=4 1092 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 34a_100020630696_200025704644 [0,1,0,0,0,0|3,0,0]=4 1093 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 7a_100020630696_200025704644 [0,1,0,0,0,0|3,0,0]=4 1094 B11R1.37 Cc1ccc(c(n1)CO)O[13CH3] 34a_100000751967_200025704644 [0,1,0,0,0,0|3,0,0]=4 1095 B11R1.37 [13CH3]Nc1cc(ccc1C#N)Br 7a_100000699244_200025704644 [0,1,0,0,0,0|3,0,0]=4 1096 B11R1.37 [13CH3]Nc1cc(ccc1C#N)Cl 34a_100000211392_200025704644 [0,1,0,0,0,0|3,0,0]=4 1097 B11R1.37 [13CH3]Nc1cc(ccc1C#N)Cl 7a_100000211392_200025704644 [0,1,0,0,0,0|3,0,0]=4 1098 B11R1.37 [13CH3]Nc1cc(ccc1C#N)F 34a_100011935279_200025704644 [0,1,0,0,0,0|3,0,0]=4 1099 B11R1.37 [13CH3]Nc1cc(ccc1C#N)F 7a_100011935279_200025704644 [0,1,0,0,0,0|3,0,0]=4 1100 B11R1.37 [13CH3]Nc1cc(ccc1CO)Br 34a_100000718831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1101 B11R1.37 [13CH3]Nc1cc(ccc1CO)Cl 34a_100000238622_200025704644 [0,1,0,0,0,0|3,0,0]=4 1102 B11R1.37 [13CH3]Nc1cc(ccc1CO)F 34a_100011996588_200025704644 [0,1,0,0,0,0|3,0,0]=4 1103 B11R1.37 [13CH3]Nc1ccc(cc1C#N)Br 7a_100000688460_200025704644 [0,1,0,0,0,0|3,0,0]=4 1104 B11R1.37 [13CH3]Nc1ccc(cc1C#N)Cl 7a_100011219925_200025704644 [0,1,0,0,0,0|3,0,0]=4 1105 B11R1.37 [13CH3]Nc1ccc(cc1C#N)F 34a_100000685569_200025704644 [0,1,0,0,0,0|3,0,0]=4 1106 B11R1.37 [13CH3]Nc1ccc(cc1C#N)F 7a_100000685569_200025704644 [0,1,0,0,0,0|3,0,0]=4 1107 B11R1.37 [13CH3]Nc1ccc(cc1C#N)I 7a_100000049818_200025704644 [0,1,0,0,0,0|3,0,0]=4 1108 B11R1.37 [13CH3]Nc1ccc(cc1CO)Br 34a_100012353972_200025704644 [0,1,0,0,0,0|3,0,0]=4 1109 B11R1.37 [13CH3]Nc1ccc(cc1CO)Cl 34a_100011214999_200025704644 [0,1,0,0,0,0|3,0,0]=4 1110 B11R1.37 [13CH3]Nc1ccc(cc1CO)F 34a_100011296978_200025704644 [0,1,0,0,0,0|3,0,0]=4 1111 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 34a_100011934713_200025704644 [0,1,0,0,0,0|2,0,0]=3 1112 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Br 7a_100011934713_200025704644 [0,1,0,0,0,0|2,0,0]=3 1113 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 34a_100000688488_200025704644 [0,1,0,0,0,0|2,0,0]=3 1114 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 7a_100000688488_200025704644 [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 34a_100012185923_200025704644 [0,1,0,0,0,0|2,0,0]=3 1116 B11R1.37 [13CH3]Oc1cc(ccc1C#N)F 7a_100012185923_200025704644 [0,1,0,0,0,0|2,0,0]=3 1117 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 34a_100000094571_200025704644 [0,1,0,0,0,0|2,0,0]=3 1118 B11R1.37 [13CH3]Oc1cc(ccc1C#N)N 7a_100000094571_200025704644 [0,1,0,0,0,0|2,0,0]=3 1119 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 34a_100000071718_200025704644 [0,1,0,0,0,0|2,0,0]=3 1120 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 7a_100000071718_200025704644 [0,1,0,0,0,0|2,0,0]=3 1121 B11R1.37 [13CH3]Oc1cc(cnc1C#N)Br 34a_200013853302_200025704644 [0,1,0,0,0,0|3,0,0]=4 1122 B11R1.37 [13CH3]Oc1cc(cnc1C#N)Br 7a_200013853302_200025704644 [0,1,0,0,0,0|3,0,0]=4 1123 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Br 34a_100000687585_200025704644 [0,1,0,0,0,0|2,0,0]=3 1124 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Br 7a_100000687585_200025704644 [0,1,0,0,0,0|2,0,0]=3 1125 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Cl 34a_100011219380_200025704644 [0,1,0,0,0,0|2,0,0]=3 1126 B11R1.37 [13CH3]Oc1ccc(cc1C#N)Cl 7a_100011219380_200025704644 [0,1,0,0,0,0|2,0,0]=3 1127 B11R1.37 [13CH3]Oc1ccc(cc1C#N)F 34a_100011900173_200025704644 [0,1,0,0,0,0|2,0,0]=3 1128 B11R1.37 [13CH3]Oc1ccc(cc1C#N)F 7a_100011900173_200025704644 [0,1,0,0,0,0|2,0,0]=3 1129 B11R1.37 [13CH3]Oc1ccc(cc1C#N)I 34a_200000049958_200025704644 [0,1,0,0,0,0|2,0,0]=3 1130 B11R1.37 [13CH3]Oc1ccc(cc1C#N)I 7a_200000049958_200025704644 [0,1,0,0,0,0|2,0,0]=3 1131 B11R1.37 [13CH3]Oc1ccc(cc1C#N)N 34a_100011249283_200025704644 [0,1,0,0,0,0|2,0,0]=3 1132 B11R1.37 [13CH3]Oc1ccc(cc1C#N)N 7a_100011249283_200025704644 [0,1,0,0,0,0|2,0,0]=3 1133 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 34a_100010161318_200025704644 [0,1,0,0,0,0|2,0,0]=3 1134 B11R1.37 [13CH3]Oc1ccc(cc1CBr)F 7a_100010161318_200025704644 [0,1,0,0,0,0|2,0,0]=3 1135 B11R1.37 [13CH3]Oc1ccc(cc1CN)Br 34a_100000730032_200025704644 [0,1,0,0,0,0|2,0,0]=3 1136 B11R1.37 [13CH3]Oc1ccc(cc1CN)Cl 34a_100000238540_200025704644 [0,1,0,0,0,0|2,0,0]=3 1137 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 34a_100000184703_200025704644 [0,1,0,0,0,0|2,0,0]=3 1138 B11R1.37 [13CH3]Oc1ccc(cc1CO)Br 7a_100000184703_200025704644 [0,1,0,0,0,0|2,0,0]=3 1139 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 34a_100011218961_200025704644 [0,1,0,0,0,0|2,0,0]=3 1140 B11R1.37 [13CH3]Oc1ccc(cc1CO)Cl 7a_100011218961_200025704644 [0,1,0,0,0,0|2,0,0]=3 1141 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 34a_100011291448_200025704644 [0,1,0,0,0,0|2,0,0]=3 1142 B11R1.37 [13CH3]Oc1ccc(cc1CO)F 7a_100011291448_200025704644 [0,1,0,0,0,0|2,0,0]=3 1143 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 34a_100000049520_200025704644 [0,1,0,0,0,0|2,0,0]=3 1144 B11R1.37 [13CH3]Oc1ccc(cc1CO)I 7a_100000049520_200025704644 [0,1,0,0,0,0|2,0,0]=3 1145 B11R1.37 [13CH3]Sc1cc(ccc1C#N)Br 62a_200025704644_100010214477 [0,1,0,0,0,0|2,1,0]=4 1146 B11R1.37 [13CH3]Sc1cc(ccc1C#N)Cl 62a_200025704644_100012355178 [0,1,0,0,0,0|2,1,0]=4 1147 B11R1.37 [13CH3]Sc1cc(ccc1C#N)F 62a_200025704644_100011935285 [0,1,0,0,0,0|2,1,0]=4 1148 B11R1.37 [13CH3]Sc1cc(ccc1C#N)N 62a_200025704644_100000689153 [0,1,0,0,0,0|2,1,0]=4 1149 B11R1.37 [13CH3]Sc1cc(ccc1C#N)O 62a_200025704644_100012184851 [0,1,0,0,0,0|2,1,0]=4 1150 B11R1.37 [13CH3]Sc1cc(ccc1C=O)Br 62a_100010146562_200025704644 [0,1,0,0,0,0|2,1,0]=4 1151 B11R1.37 [13CH3]Sc1cc(ccc1C=O)Br 62a_200025704644_100010146562 [0,1,0,0,0,0|2,1,0]=4 1152 B11R1.37 [13CH3]Sc1cc(ccc1C=O)F 62a_100000752949_200025704644 [0,1,0,0,0,0|2,1,0]=4 1153 B11R1.37 [13CH3]Sc1cc(ccc1C=O)F 62a_200025704644_100000752949 [0,1,0,0,0,0|2,1,0]=4 1154 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_100011236494_200025704644 [0,1,0,0,0,0|2,1,0]=4 1155 B11R1.37 [13CH3]Sc1cc(ccc1C=O)O 62a_200025704644_100011236494 [0,1,0,0,0,0|2,1,0]=4 1156 B11R1.37 [13CH3]Sc1cc(ccc1CN)F 62a_100000708791_200025704644 [0,1,0,0,0,0|2,1,0]=4 1157 B11R1.37 [13CH3]Sc1cc(ccc1CN)F 62a_200025704644_100000708791 [0,1,0,0,0,0|2,1,0]=4 1158 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_100010146605_200025704644 [0,1,0,0,0,0|2,1,0]=4 1159 B11R1.37 [13CH3]Sc1cc(ccc1CO)Br 62a_200025704644_100010146605 [0,1,0,0,0,0|2,1,0]=4 1160 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_100000722340_200025704644 [0,1,0,0,0,0|2,1,0]=4 1161 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_200025704644_100000722340 [0,1,0,0,0,0|2,1,0]=4 1162 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_100000744086_200025704644 [0,1,0,0,0,0|2,1,0]=4 1163 B11R1.37 [13CH3]Sc1cc(ccc1CO)F 62a_200025704644_100000744086 [0,1,0,0,0,0|2,1,0]=4 1164 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_100010146404_200025704644 [0,1,0,0,0,0|2,1,0]=4 1165 B11R1.37 [13CH3]Sc1cc(ccc1CO)O 62a_200025704644_100010146404 [0,1,0,0,0,0|2,1,0]=4 1166 B11R1.37 [13CH3]Sc1ccc(cc1C#N)Br 62a_200025704644_100011219714 [0,1,0,0,0,0|2,1,0]=4 1167 B11R1.37 [13CH3]Sc1ccc(cc1C#N)Cl 62a_200025704644_200011356825 [0,1,0,0,0,0|2,1,0]=4 1168 B11R1.37 [13CH3]Sc1ccc(cc1C#N)F 62a_200025704644_100000747550 [0,1,0,0,0,0|2,1,0]=4 1169 B11R1.37 [13CH3]Sc1ccc(cc1C#N)N 62a_200025704644_100011934039 [0,1,0,0,0,0|2,1,0]=4 1170 B11R1.37 [13CH3]Sc1ccc(cc1C#N)O 62a_200025704644_100009818209 [0,1,0,0,0,0|2,1,0]=4 1171 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Br 62a_100010185651_200025704644 [0,1,0,0,0,0|2,1,0]=4 1172 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Br 62a_200025704644_100010185651 [0,1,0,0,0,0|2,1,0]=4 1173 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Cl 62a_100010254386_200025704644 [0,1,0,0,0,0|2,1,0]=4 1174 B11R1.37 [13CH3]Sc1ccc(cc1C=O)Cl 62a_200025704644_100010254386 [0,1,0,0,0,0|2,1,0]=4 1175 B11R1.37 [13CH3]Sc1ccc(cc1C=O)F 62a_100011218309_200025704644 [0,1,0,0,0,0|2,1,0]=4 1176 B11R1.37 [13CH3]Sc1ccc(cc1C=O)F 62a_200025704644_100011218309 [0,1,0,0,0,0|2,1,0]=4 1177 B11R1.37 [13CH3]Sc1ccc(cc1C=O)O 62a_100000690577_200025704644 [0,1,0,0,0,0|2,1,0]=4 1178 B11R1.37 [13CH3]Sc1ccc(cc1C=O)O 62a_200025704644_100000690577 [0,1,0,0,0,0|2,1,0]=4 1179 B11R1.37 [13CH3]Sc1ccc(cc1CN)F 62a_100000742738_200025704644 [0,1,0,0,0,0|2,1,0]=4 1180 B11R1.37 [13CH3]Sc1ccc(cc1CN)F 62a_200025704644_100000742738 [0,1,0,0,0,0|2,1,0]=4 1181 B11R1.37 [13CH3]Sc1ccc(cc1CO)Br 62a_100011356890_200025704644 [0,1,0,0,0,0|2,1,0]=4 1182 B11R1.37 [13CH3]Sc1ccc(cc1CO)Br 62a_200025704644_100011356890 [0,1,0,0,0,0|2,1,0]=4 1183 B11R1.37 [13CH3]Sc1ccc(cc1CO)F 62a_100011217561_200025704644 [0,1,0,0,0,0|2,1,0]=4 1184 B11R1.37 [13CH3]Sc1ccc(cc1CO)F 62a_200025704644_100011217561 [0,1,0,0,0,0|2,1,0]=4 1185 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_100012347228_200025704644 [0,1,0,0,0,0|2,1,0]=4 1186 B11R1.37 [13CH3]Sc1ccc(cc1CO)N 62a_200025704644_100012347228 [0,1,0,0,0,0|2,1,0]=4 1187 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_100012351483_200025704644 [0,1,0,0,0,0|2,1,0]=4 1188 B11R1.37 [13CH3]Sc1ccc(cc1CO)O 62a_200025704644_100012351483 [0,1,0,0,0,0|2,1,0]=4 1189 B11R1.37 [13CH3]Sc1ccc(cc1NN)F 62a_100012362518_200025704644 [0,1,0,0,0,0|2,1,0]=4 1190 B11R1.37 [13CH3]Sc1ccc(cc1NN)F 62a_200025704644_100012362518 [0,1,0,0,0,0|2,1,0]=4 1191 B11R1.41 C#Cc1ccccc1CNC 34a_100020634229_200000210301 [0,1,0,0,0,0|2,0,1]=4 1192 B11R1.41 C#Cc1ccccc1CN[13CH3] 34a_100020634229_200025704644 [0,1,0,0,0,0|2,0,1]=4 1193 B11R1.41 C#Cc1ccccc1COC 34a_100000054652_200000210301 [0,1,0,0,0,0|1,0,1]=3 1194 B11R1.41 C#Cc1ccccc1COC 7a_100000054652_200000210301 [0,1,0,0,0,0|1,0,1]=3 1195 B11R1.41 C#Cc1ccccc1CO[13CH3] 34a_100000054652_200025704644 [0,1,0,0,0,0|1,0,1]=3 1196 B11R1.41 C#Cc1ccccc1CO[13CH3] 7a_100000054652_200025704644 [0,1,0,0,0,0|1,0,1]=3 1197 B11R1.41 C#Cc1ccccc1NCC 34a_100011470550_100000210202 [0,1,0,0,0,0|2,0,1]=4 1198 B11R1.41 C#Cc1ccccc1NCF 34a_100011470550_100015361967 [0,1,0,0,0,0|2,0,1]=4 1199 B11R1.41 C#Cc1ccccc1OCC 34a_200011470546_100000210202 [0,1,0,0,0,0|1,0,1]=3 1200 B11R1.41 C#Cc1ccccc1OCC 7a_200011470546_100000210202 [0,1,0,0,0,0|1,0,1]=3 1201 B11R1.41 C#Cc1ccccc1OCF 34a_200011470546_100015361967 [0,1,0,0,0,0|1,0,1]=3 1202 B11R1.41 C#Cc1ccccc1OCF 7a_200011470546_100015361967 [0,1,0,0,0,0|1,0,1]=3 1203 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [0,1,0,0,0,0|1,0,0]=2 1204 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [0,1,0,0,0,0|1,0,0]=2 1205 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [0,1,0,0,0,0|1,0,0]=2 1206 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [0,1,0,0,0,0|1,0,0]=2 1207 B11R1.41 C=C=Cc1ccccc1CC 271570a_100015277604_100011215823 [0,1,0,0,0,0|2,0,1]=4 1208 B11R1.41 C=C=Cc1ccccc1NC 271570a_100015277604_100020606079 [0,1,0,0,0,0|2,0,1]=4 1209 B11R1.41 C=C=Cc1ccccc1OC 271570a_100015277604_100000174000 [0,1,0,0,0,0|1,0,1]=3 1210 B11R1.41 C=C=Cc1ccccc1SC 271570a_100015277604_100011217816 [0,1,0,0,0,0|1,1,1]=4 1211 B11R1.41 C=C=Cc1cccnc1OC 271570a_100015277604_100000047025 [0,1,0,0,0,0|2,0,1]=4 1212 B11R1.41 C=C=Cc1ccncc1OC 271570a_100015277604_100016988167 [0,1,0,0,0,0|2,0,1]=4 1213 B11R1.41 C=C=Cc1cnccc1OC 271570a_100015277604_100011997281 [0,1,0,0,0,0|2,0,1]=4 1214 B11R1.41 C=C=Cc1ncccc1OC 271570a_100015277604_100000690851 [0,1,0,0,0,0|2,0,1]=4 1215 B11R1.41 C=CCc1ccccc1NC 2230a_200138433279_200000210301 [0,1,0,0,0,0|2,0,1]=4 1216 B11R1.41 C=CCc1ccccc1NC 34a_200138433279_200000210301 [0,1,0,0,0,0|2,0,1]=4 1217 B11R1.41 C=CCc1ccccc1N[13CH3] 2230a_200138433279_200025704644 [0,1,0,0,0,0|2,0,1]=4 1218 B11R1.41 C=CCc1ccccc1N[13CH3] 34a_200138433279_200025704644 [0,1,0,0,0,0|2,0,1]=4 1219 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [0,1,0,0,0,0|1,0,1]=3 1220 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [0,1,0,0,0,0|1,0,1]=3 1221 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [0,1,0,0,0,0|1,0,1]=3 1222 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [0,1,0,0,0,0|1,0,1]=3 1223 B11R1.41 C=CCc1ccccc1SC 62a_100009828059_200000210301 [0,1,0,0,0,0|1,1,1]=4 1224 B11R1.41 C=CCc1ccccc1SC 62a_200000210301_100009828059 [0,1,0,0,0,0|1,1,1]=4 1225 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_100009828059_200025704644 [0,1,0,0,0,0|1,1,1]=4 1226 B11R1.41 C=CCc1ccccc1S[13CH3] 62a_200025704644_100009828059 [0,1,0,0,0,0|1,1,1]=4 1227 B11R1.41 C=Cc1ccccc1CCN 271570a_100011290941_100000747383 [0,1,0,0,0,0|2,0,1]=4 1228 B11R1.41 C=Cc1ccccc1CCO 271570a_100011290941_100000731337 [0,1,0,0,0,0|2,0,1]=4 1229 B11R1.41 C=Cc1ccccc1CNC 271570a_100011290941_100000184654 [0,1,0,0,0,0|2,0,1]=4 1230 B11R1.41 C=Cc1ccccc1COC 271570a_100011290941_100011493684 [0,1,0,0,0,0|1,0,1]=3 1231 B11R1.41 C=Cc1ccccc1COC 34a_200010883148_200000210301 [0,1,0,0,0,0|1,0,1]=3 1232 B11R1.41 C=Cc1ccccc1COC 7a_200010883148_200000210301 [0,1,0,0,0,0|1,0,1]=3 1233 B11R1.41 C=Cc1ccccc1CO[13CH3] 34a_200010883148_200025704644 [0,1,0,0,0,0|1,0,1]=3 1234 B11R1.41 C=Cc1ccccc1CO[13CH3] 7a_200010883148_200025704644 [0,1,0,0,0,0|1,0,1]=3 1235 B11R1.41 C=Cc1ccccc1CSC 271570a_100011290941_100000148299 [0,1,0,0,0,0|1,1,1]=4 1236 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [0,1,0,0,0,0|2,0,1]=4 1237 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [0,1,0,0,0,0|2,0,1]=4 1238 B11R1.41 C=Cc1ccccc1NCF 34a_100012022501_100015361967 [0,1,0,0,0,0|2,0,1]=4 1239 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [0,1,0,0,0,0|1,0,1]=3 1240 B11R1.41 C=Cc1ccccc1SCC 271570a_100011290941_100000230856 [0,1,0,0,0,0|1,1,1]=4 1241 B11R1.41 C=Cc1ccccc1SCC 62a_100000210202_100011218376 [0,1,0,0,0,0|1,1,1]=4 1242 B11R1.41 C=Cc1ccccc1SCC 62a_100011218376_100000210202 [0,1,0,0,0,0|1,1,1]=4 1243 B11R1.41 C=Cc1ccccc1SCF 62a_100011218376_100015361967 [0,1,0,0,0,0|1,1,1]=4 1244 B11R1.41 C=Cc1ccccc1SCF 62a_100015361967_100011218376 [0,1,0,0,0,0|1,1,1]=4 1245 B11R1.41 C=Cc1cccnc1OCC 271570a_100011290941_100011465154 [0,1,0,0,0,0|2,0,1]=4 1246 B11R1.41 C=Cc1ncccc1OCC 271570a_100011290941_100011597540 [0,1,0,0,0,0|2,0,1]=4 1247 B11R1.41 CC=Cc1ccccc1C#N 271570a_100016259895_100000188569 [0,1,0,0,0,0|3,0,0]=4 1248 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [0,1,0,0,0,0|3,0,0]=4 1249 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [0,1,0,0,0,0|2,0,0]=3 1250 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [0,1,0,0,0,0|3,0,0]=4 1251 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [0,1,0,0,0,0|3,0,0]=4 1252 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [0,1,0,0,0,0|2,0,0]=3 1253 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [0,1,0,0,0,0|3,0,0]=4 1254 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [0,1,0,0,0,0|1,0,0]=2 1255 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [0,1,0,0,0,0|1,1,0]=3 1256 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [0,1,0,0,0,0|3,0,0]=4 1257 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [0,1,0,0,0,0|3,0,0]=4 1258 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [0,1,0,0,0,0|2,0,0]=3 1259 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [0,1,0,0,0,0|2,1,0]=4 1260 B11R1.41 CC=Cc1ccncc1CC 271570a_100016259895_100025704421 [0,1,0,0,0,0|3,0,0]=4 1261 B11R1.41 CC=Cc1ccncc1OC 271570a_100016259895_100016988167 [0,1,0,0,0,0|2,0,0]=3 1262 B11R1.41 CC=Cc1cnccc1CC 271570a_100016259895_100009819861 [0,1,0,0,0,0|3,0,0]=4 1263 B11R1.41 CC=Cc1cnccc1NC 271570a_100016259895_100010069531 [0,1,0,0,0,0|3,0,0]=4 1264 B11R1.41 CC=Cc1cnccc1OC 271570a_100016259895_100011997281 [0,1,0,0,0,0|2,0,0]=3 1265 B11R1.41 CC=Cc1cncnc1OC 271570a_100016259895_100000719902 [0,1,0,0,0,0|3,0,0]=4 1266 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [0,1,0,0,0,0|3,0,0]=4 1267 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [0,1,0,0,0,0|2,0,0]=3 1268 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [0,1,0,0,0,0|3,0,0]=4 1269 B11R1.41 CC=Cc1ncncc1OC 271570a_100016259895_100012001275 [0,1,0,0,0,0|3,0,0]=4 1270 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [0,1,0,0,0,0|2,0,0]=3 1271 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [0,1,0,0,0,0|2,0,0]=3 1272 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [0,1,0,0,0,0|2,0,0]=3 1273 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [0,1,0,0,0,0|2,0,0]=3 1274 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [0,1,0,0,0,0|2,0,0]=3 1275 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [0,1,0,0,0,0|2,0,0]=3 1276 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [0,1,0,0,0,0|1,0,0]=2 1277 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [0,1,0,0,0,0|1,0,0]=2 1278 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [0,1,0,0,0,0|1,0,0]=2 1279 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [0,1,0,0,0,0|1,0,0]=2 1280 B11R1.41 CCNc1ccccc1C#N 34a_100000211148_100000210202 [0,1,0,0,0,0|3,0,0]=4 1281 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [0,1,0,0,0,0|2,0,0]=3 1282 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [0,1,0,0,0,0|2,0,0]=3 1283 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [0,1,0,0,0,0|2,0,0]=3 1284 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [0,1,0,0,0,0|3,0,0]=4 1285 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [0,1,0,0,0,0|1,0,0]=2 1286 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [0,1,0,0,0,0|1,0,0]=2 1287 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [0,1,0,0,0,0|1,0,0]=2 1288 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [0,1,0,0,0,0|1,0,0]=2 1289 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [0,1,0,0,0,0|1,0,0]=2 1290 B11R1.41 CCNc1ccccc1SC 34a_100000211160_100000210202 [0,1,0,0,0,0|1,1,0]=3 1291 B11R1.41 CCNc1ccccc1SC 62a_114873767003_200000210301 [0,1,0,0,0,0|1,1,0]=3 1292 B11R1.41 CCNc1ccccc1SC 62a_200000210301_114873767003 [0,1,0,0,0,0|1,1,0]=3 1293 B11R1.41 CCNc1ccccc1S[13CH3] 62a_114873767003_200025704644 [0,1,0,0,0,0|1,1,0]=3 1294 B11R1.41 CCNc1ccccc1S[13CH3] 62a_200025704644_114873767003 [0,1,0,0,0,0|1,1,0]=3 1295 B11R1.41 CCNc1nccnc1OC 27a_100015525214_100009858322 [0,1,0,0,0,0|3,0,0]=4 1296 B11R1.41 CCNc1ncncc1OC 27a_100015525214_100012001275 [0,1,0,0,0,0|3,0,0]=4 1297 B11R1.41 CCOc1ccccc1C#N 34a_100000211048_100000210202 [0,1,0,0,0,0|2,0,0]=3 1298 B11R1.41 CCOc1ccccc1C#N 7a_100000211048_100000210202 [0,1,0,0,0,0|2,0,0]=3 1299 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [0,1,0,0,0,0|1,0,0]=2 1300 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [0,1,0,0,0,0|1,0,0]=2 1301 B11R1.41 CCOc1ccccc1CN 34a_100000185550_100000210202 [0,1,0,0,0,0|2,0,0]=3 1302 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [0,1,0,0,0,0|2,0,0]=3 1303 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [0,1,0,0,0,0|1,0,0]=2 1304 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [0,1,0,0,0,0|1,0,0]=2 1305 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [0,1,0,0,0,0|1,0,0]=2 1306 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [0,1,0,0,0,0|0,0,0]=1 1307 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [0,1,0,0,0,0|0,0,0]=1 1308 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [0,1,0,0,0,0|0,0,0]=1 1309 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [0,1,0,0,0,0|0,0,0]=1 1310 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [0,1,0,0,0,0|0,0,0]=1 1311 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [0,1,0,0,0,0|0,1,0]=2 1312 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [0,1,0,0,0,0|0,1,0]=2 1313 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [0,1,0,0,0,0|0,1,0]=2 1314 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [0,1,0,0,0,0|0,1,0]=2 1315 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [0,1,0,0,0,0|0,1,0]=2 1316 B11R1.41 CCOc1cccnc1C#N 34a_100000722750_100000210202 [0,1,0,0,0,0|3,0,0]=4 1317 B11R1.41 CCOc1cccnc1C#N 7a_100000722750_100000210202 [0,1,0,0,0,0|3,0,0]=4 1318 B11R1.41 CCOc1cccnc1CBr 34a_200020655725_100000210202 [0,1,0,0,0,0|3,0,0]=4 1319 B11R1.41 CCOc1cccnc1CBr 7a_200020655725_100000210202 [0,1,0,0,0,0|3,0,0]=4 1320 B11R1.41 CCOc1cccnc1CO 34a_100000731849_100000210202 [0,1,0,0,0,0|3,0,0]=4 1321 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [0,1,0,0,0,0|1,0,0]=2 1322 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [0,1,0,0,0,0|1,0,0]=2 1323 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [0,1,0,0,0,0|1,1,0]=3 1324 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [0,1,0,0,0,0|1,1,0]=3 1325 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [0,1,0,0,0,0|1,1,0]=3 1326 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [0,1,0,0,0,0|1,1,0]=3 1327 B11R1.41 CCOc1cnccc1C#N 7a_100012181322_100000210202 [0,1,0,0,0,0|3,0,0]=4 1328 B11R1.41 CCOc1cnccc1CO 34a_100000078615_100000210202 [0,1,0,0,0,0|3,0,0]=4 1329 B11R1.41 CCOc1cnccc1OC 34a_100000101186_100000210202 [0,1,0,0,0,0|1,0,0]=2 1330 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [0,1,0,0,0,0|1,0,0]=2 1331 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [0,1,0,0,0,0|1,0,0]=2 1332 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [0,1,0,0,0,0|1,0,0]=2 1333 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [0,1,0,0,0,0|1,1,0]=3 1334 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [0,1,0,0,0,0|1,1,0]=3 1335 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [0,1,0,0,0,0|1,1,0]=3 1336 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [0,1,0,0,0,0|1,1,0]=3 1337 B11R1.41 CCOc1nccnc1NC 27a_100102657272_200010128176 [0,1,0,0,0,0|3,0,0]=4 1338 B11R1.41 CCOc1nccnc1SC 62a_200000210301_200010128176 [0,1,0,0,0,0|2,1,0]=4 1339 B11R1.41 CCOc1nccnc1SC 62a_200010128176_200000210301 [0,1,0,0,0,0|2,1,0]=4 1340 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200010128176_200025704644 [0,1,0,0,0,0|2,1,0]=4 1341 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200025704644_200010128176 [0,1,0,0,0,0|2,1,0]=4 1342 B11R1.41 CCSc1ccccc1C#N 62a_100000210202_100000188569 [0,1,0,0,0,0|2,1,0]=4 1343 B11R1.41 CCSc1ccccc1C=O 62a_100000210073_100000210202 [0,1,0,0,0,0|2,1,0]=4 1344 B11R1.41 CCSc1ccccc1C=O 62a_100000210202_100000210073 [0,1,0,0,0,0|2,1,0]=4 1345 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [0,1,0,0,0,0|1,1,0]=3 1346 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [0,1,0,0,0,0|1,1,0]=3 1347 B11R1.41 CCSc1ccccc1CN 62a_100000210202_100000689332 [0,1,0,0,0,0|2,1,0]=4 1348 B11R1.41 CCSc1ccccc1CN 62a_100000689332_100000210202 [0,1,0,0,0,0|2,1,0]=4 1349 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [0,1,0,0,0,0|2,1,0]=4 1350 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [0,1,0,0,0,0|2,1,0]=4 1351 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [0,1,0,0,0,0|1,1,0]=3 1352 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [0,1,0,0,0,0|1,1,0]=3 1353 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [0,1,0,0,0,0|1,1,0]=3 1354 B11R1.41 CCSc1ccccc1NN 62a_100000210202_100000241748 [0,1,0,0,0,0|2,1,0]=4 1355 B11R1.41 CCSc1ccccc1NN 62a_100000241748_100000210202 [0,1,0,0,0,0|2,1,0]=4 1356 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [0,1,0,0,0,0|1,1,0]=3 1357 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [0,1,0,0,0,0|0,1,0]=2 1358 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [0,1,0,0,0,0|0,1,0]=2 1359 B11R1.41 CCSc1ccccc1SC 62a_100000210202_100011217816 [0,1,0,0,0,0|0,2,0]=3 1360 B11R1.41 CCSc1ccccc1SC 62a_100000230856_200000210301 [0,1,0,0,0,0|0,2,0]=3 1361 B11R1.41 CCSc1ccccc1SC 62a_100011217816_100000210202 [0,1,0,0,0,0|0,2,0]=3 1362 B11R1.41 CCSc1ccccc1SC 62a_200000210301_100000230856 [0,1,0,0,0,0|0,2,0]=3 1363 B11R1.41 CCSc1ccccc1S[13CH3] 62a_100000230856_200025704644 [0,1,0,0,0,0|0,2,0]=3 1364 B11R1.41 CCSc1ccccc1S[13CH3] 62a_200025704644_100000230856 [0,1,0,0,0,0|0,2,0]=3 1365 B11R1.41 CCSc1cccnc1CC 62a_100000210202_100009877225 [0,1,0,0,0,0|2,1,0]=4 1366 B11R1.41 CCSc1cccnc1CC 62a_100009877225_100000210202 [0,1,0,0,0,0|2,1,0]=4 1367 B11R1.41 CCSc1cccnc1NC 62a_100000210202_100000700899 [0,1,0,0,0,0|2,1,0]=4 1368 B11R1.41 CCSc1cccnc1NC 62a_100000700899_100000210202 [0,1,0,0,0,0|2,1,0]=4 1369 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [0,1,0,0,0,0|1,1,0]=3 1370 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [0,1,0,0,0,0|1,1,0]=3 1371 B11R1.41 CCSc1cccnc1SC 62a_100000210202_100011465278 [0,1,0,0,0,0|1,2,0]=4 1372 B11R1.41 CCSc1cccnc1SC 62a_100011465278_100000210202 [0,1,0,0,0,0|1,2,0]=4 1373 B11R1.41 CCSc1ccncc1CC 62a_100000210202_100025704421 [0,1,0,0,0,0|2,1,0]=4 1374 B11R1.41 CCSc1ccncc1CC 62a_100025704421_100000210202 [0,1,0,0,0,0|2,1,0]=4 1375 B11R1.41 CCSc1ccncc1OC 62a_100000210202_100016988167 [0,1,0,0,0,0|1,1,0]=3 1376 B11R1.41 CCSc1ccncc1OC 62a_100016988167_100000210202 [0,1,0,0,0,0|1,1,0]=3 1377 B11R1.41 CCSc1cnccc1CC 62a_100000210202_100009819861 [0,1,0,0,0,0|2,1,0]=4 1378 B11R1.41 CCSc1cnccc1CC 62a_100009819861_100000210202 [0,1,0,0,0,0|2,1,0]=4 1379 B11R1.41 CCSc1cnccc1NC 62a_100000210202_100010069531 [0,1,0,0,0,0|2,1,0]=4 1380 B11R1.41 CCSc1cnccc1NC 62a_100010069531_100000210202 [0,1,0,0,0,0|2,1,0]=4 1381 B11R1.41 CCSc1cnccc1OC 62a_100000210202_100011997281 [0,1,0,0,0,0|1,1,0]=3 1382 B11R1.41 CCSc1cnccc1OC 62a_100011997281_100000210202 [0,1,0,0,0,0|1,1,0]=3 1383 B11R1.41 CCSc1cncnc1OC 62a_100000210202_100000719902 [0,1,0,0,0,0|2,1,0]=4 1384 B11R1.41 CCSc1cncnc1OC 62a_100000719902_100000210202 [0,1,0,0,0,0|2,1,0]=4 1385 B11R1.41 CCSc1ncccc1NC 62a_100000210202_200011806188 [0,1,0,0,0,0|2,1,0]=4 1386 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [0,1,0,0,0,0|1,1,0]=3 1387 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [0,1,0,0,0,0|1,1,0]=3 1388 B11R1.41 CCSc1nccnc1OC 62a_100000210202_100000749998 [0,1,0,0,0,0|2,1,0]=4 1389 B11R1.41 CCSc1nccnc1OC 62a_100009858322_100000210202 [0,1,0,0,0,0|2,1,0]=4 1390 B11R1.41 CCSc1ncncc1OC 62a_100000210202_100012001275 [0,1,0,0,0,0|2,1,0]=4 1391 B11R1.41 CCSc1ncncc1OC 62a_100012001275_100000210202 [0,1,0,0,0,0|2,1,0]=4 1392 B11R1.41 CCc1ccccc1CNC 207a_100102657272_100011219594 [0,1,0,0,0,0|2,0,0]=3 1393 B11R1.41 CCc1ccccc1CNC 270004a_106832991635_100011219594 [0,1,0,0,0,0|2,0,0]=3 1394 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [0,1,0,0,0,0|1,0,0]=2 1395 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [0,1,0,0,0,0|1,0,0]=2 1396 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [0,1,0,0,0,0|1,0,0]=2 1397 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [0,1,0,0,0,0|1,0,0]=2 1398 B11R1.41 CCc1ccccc1NCF 34a_100000212081_100015361967 [0,1,0,0,0,0|2,0,0]=3 1399 B11R1.41 CCc1ccccc1NCF 7a_100000212081_100015361967 [0,1,0,0,0,0|2,0,0]=3 1400 B11R1.41 CCc1ccccc1OCF 34a_100000210936_100015361967 [0,1,0,0,0,0|1,0,0]=2 1401 B11R1.41 CCc1ccccc1OCF 7a_100000210936_100015361967 [0,1,0,0,0,0|1,0,0]=2 1402 B11R1.41 CCc1ccccc1SCF 62a_100011215823_100015361967 [0,1,0,0,0,0|1,1,0]=3 1403 B11R1.41 CCc1ccccc1SCF 62a_100015361967_100011215823 [0,1,0,0,0,0|1,1,0]=3 1404 B11R1.41 CCc1ccncc1SCF 62a_100009819861_100015361967 [0,1,0,0,0,0|2,1,0]=4 1405 B11R1.41 CCc1ccncc1SCF 62a_100015361967_100009819861 [0,1,0,0,0,0|2,1,0]=4 1406 B11R1.41 CCc1cnccc1SCF 62a_100015361967_100025704421 [0,1,0,0,0,0|2,1,0]=4 1407 B11R1.41 CCc1cnccc1SCF 62a_100025704421_100015361967 [0,1,0,0,0,0|2,1,0]=4 1408 B11R1.41 CCc1ncccc1SCF 62a_100009877225_100015361967 [0,1,0,0,0,0|2,1,0]=4 1409 B11R1.41 CCc1ncccc1SCF 62a_100015361967_100009877225 [0,1,0,0,0,0|2,1,0]=4 1410 B11R1.41 CNCc1ccccc1C#N 2230a_106832991635_100000181865 [0,1,0,0,0,0|3,0,0]=4 1411 B11R1.41 CNCc1ccccc1C#N 34a_100016989011_200000210301 [0,1,0,0,0,0|3,0,0]=4 1412 B11R1.41 CNCc1ccccc1C#N 34a_100102657272_100000181865 [0,1,0,0,0,0|3,0,0]=4 1413 B11R1.41 CNCc1ccccc1C#N 7a_106832991635_100000181865 [0,1,0,0,0,0|3,0,0]=4 1414 B11R1.41 CNCc1ccccc1C=O 2230a_106832991635_200009853537 [0,1,0,0,0,0|3,0,0]=4 1415 B11R1.41 CNCc1ccccc1C=O 34a_100102657272_200009853537 [0,1,0,0,0,0|3,0,0]=4 1416 B11R1.41 CNCc1ccccc1C=O 7a_106832991635_200009853537 [0,1,0,0,0,0|3,0,0]=4 1417 B11R1.41 CNCc1ccccc1CO 2230a_106832991635_100009816955 [0,1,0,0,0,0|3,0,0]=4 1418 B11R1.41 CNCc1ccccc1CO 34a_100102657272_100009816955 [0,1,0,0,0,0|3,0,0]=4 1419 B11R1.41 CNCc1ccccc1CO 7a_106832991635_100009816955 [0,1,0,0,0,0|3,0,0]=4 1420 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [0,1,0,0,0,0|1,0,0]=2 1421 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [0,1,0,0,0,0|1,0,0]=2 1422 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [0,1,0,0,0,0|1,0,0]=2 1423 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [0,1,0,0,0,0|1,0,0]=2 1424 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [0,1,0,0,0,0|1,0,0]=2 1425 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [0,1,0,0,0,0|1,0,0]=2 1426 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [0,1,0,0,0,0|1,0,0]=2 1427 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [0,1,0,0,0,0|1,0,0]=2 1428 B11R1.41 CNCc1ccccc1SC 207a_100102657272_100011217347 [0,1,0,0,0,0|1,1,0]=3 1429 B11R1.41 CNCc1ccccc1SC 2230a_106832991635_100000699184 [0,1,0,0,0,0|1,1,0]=3 1430 B11R1.41 CNCc1ccccc1SC 270004a_106832991635_100011217347 [0,1,0,0,0,0|1,1,0]=3 1431 B11R1.41 CNCc1ccccc1SC 34a_100102657272_100000699184 [0,1,0,0,0,0|1,1,0]=3 1432 B11R1.41 CNCc1ccccc1SC 34a_102495365025_200000210301 [0,1,0,0,0,0|1,1,0]=3 1433 B11R1.41 CNCc1ccccc1SC 62a_100000184654_200000210301 [0,1,0,0,0,0|1,1,0]=3 1434 B11R1.41 CNCc1ccccc1SC 62a_200000210301_100000184654 [0,1,0,0,0,0|1,1,0]=3 1435 B11R1.41 CNCc1ccccc1SC 7a_106832991635_100000699184 [0,1,0,0,0,0|1,1,0]=3 1436 B11R1.41 CNCc1ccccc1S[13CH3] 62a_100000184654_200025704644 [0,1,0,0,0,0|1,1,0]=3 1437 B11R1.41 CNCc1ccccc1S[13CH3] 62a_200025704644_100000184654 [0,1,0,0,0,0|1,1,0]=3 1438 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [0,1,0,0,0,0|2,0,0]=3 1439 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [0,1,0,0,0,0|2,0,0]=3 1440 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [0,1,0,0,0,0|2,0,0]=3 1441 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [0,1,0,0,0,0|2,0,0]=3 1442 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [0,1,0,0,0,0|2,0,0]=3 1443 B11R1.41 CNCc1cccnc1SC 62a_103496529121_200000210301 [0,1,0,0,0,0|2,1,0]=4 1444 B11R1.41 CNCc1cccnc1SC 62a_200000210301_103496529121 [0,1,0,0,0,0|2,1,0]=4 1445 B11R1.41 CNCc1cccnc1S[13CH3] 62a_103496529121_200025704644 [0,1,0,0,0,0|2,1,0]=4 1446 B11R1.41 CNCc1cccnc1S[13CH3] 62a_200025704644_103496529121 [0,1,0,0,0,0|2,1,0]=4 1447 B11R1.41 CNCc1ccncc1OC 207a_100102657272_100011361505 [0,1,0,0,0,0|2,0,0]=3 1448 B11R1.41 CNCc1ccncc1OC 2230a_106832991635_100020635607 [0,1,0,0,0,0|2,0,0]=3 1449 B11R1.41 CNCc1ccncc1OC 270004a_106832991635_100011361505 [0,1,0,0,0,0|2,0,0]=3 1450 B11R1.41 CNCc1ccncc1OC 7a_106832991635_100020635607 [0,1,0,0,0,0|2,0,0]=3 1451 B11R1.41 CNCc1cnccc1OC 207a_100102657272_200011997045 [0,1,0,0,0,0|2,0,0]=3 1452 B11R1.41 CNCc1cnccc1OC 270004a_106832991635_200011997045 [0,1,0,0,0,0|2,0,0]=3 1453 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [0,1,0,0,0,0|2,0,0]=3 1454 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [0,1,0,0,0,0|2,0,0]=3 1455 B11R1.41 CNc1ccccc1CCO 2230a_100011215289_200000210301 [0,1,0,0,0,0|2,0,0]=3 1456 B11R1.41 CNc1ccccc1CCO 34a_100011215289_200000210301 [0,1,0,0,0,0|2,0,0]=3 1457 B11R1.41 CNc1ccccc1OCF 34a_100000033821_100015361967 [0,1,0,0,0,0|1,0,0]=2 1458 B11R1.41 CNc1ccccc1SCF 62a_100015361967_100020606079 [0,1,0,0,0,0|1,1,0]=3 1459 B11R1.41 CNc1ccccc1SCF 62a_100020606079_100015361967 [0,1,0,0,0,0|1,1,0]=3 1460 B11R1.41 CNc1cccnc1SCF 62a_100015361967_200011806188 [0,1,0,0,0,0|2,1,0]=4 1461 B11R1.41 CNc1ccncc1SCF 62a_100010069531_100015361967 [0,1,0,0,0,0|2,1,0]=4 1462 B11R1.41 CNc1ccncc1SCF 62a_100015361967_100010069531 [0,1,0,0,0,0|2,1,0]=4 1463 B11R1.41 CNc1ncccc1SCF 62a_100000700899_100015361967 [0,1,0,0,0,0|2,1,0]=4 1464 B11R1.41 CNc1ncccc1SCF 62a_100015361967_100000700899 [0,1,0,0,0,0|2,1,0]=4 1465 B11R1.41 COCc1ccccc1C#N 34a_100138415774_100000181865 [0,1,0,0,0,0|2,0,0]=3 1466 B11R1.41 COCc1ccccc1C#N 34a_200011269968_200000210301 [0,1,0,0,0,0|2,0,0]=3 1467 B11R1.41 COCc1ccccc1C#N 7a_200011269968_200000210301 [0,1,0,0,0,0|2,0,0]=3 1468 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [0,1,0,0,0,0|2,0,0]=3 1469 B11R1.41 COCc1ccccc1CBr 34a_100009816955_200000210301 [0,1,0,0,0,0|2,0,0]=3 1470 B11R1.41 COCc1ccccc1CBr 7a_100009816955_200000210301 [0,1,0,0,0,0|2,0,0]=3 1471 B11R1.41 COCc1ccccc1CN 34a_100000743596_200000210301 [0,1,0,0,0,0|2,0,0]=3 1472 B11R1.41 COCc1ccccc1CO 34a_100138415774_100009816955 [0,1,0,0,0,0|2,0,0]=3 1473 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [0,1,0,0,0,0|0,0,0]=1 1474 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [0,1,0,0,0,0|0,0,0]=1 1475 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [0,1,0,0,0,0|0,0,0]=1 1476 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [0,1,0,0,0,0|0,0,0]=1 1477 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [0,1,0,0,0,0|0,0,0]=1 1478 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [0,1,0,0,0,0|0,0,0]=1 1479 B11R1.41 COCc1ccccc1SC 34a_100000699167_200000210301 [0,1,0,0,0,0|0,1,0]=2 1480 B11R1.41 COCc1ccccc1SC 34a_100138415774_100000699184 [0,1,0,0,0,0|0,1,0]=2 1481 B11R1.41 COCc1ccccc1SC 62a_100011493684_200000210301 [0,1,0,0,0,0|0,1,0]=2 1482 B11R1.41 COCc1ccccc1SC 62a_200000210301_100011493684 [0,1,0,0,0,0|0,1,0]=2 1483 B11R1.41 COCc1ccccc1S[13CH3] 62a_100011493684_200025704644 [0,1,0,0,0,0|0,1,0]=2 1484 B11R1.41 COCc1ccccc1S[13CH3] 62a_200025704644_100011493684 [0,1,0,0,0,0|0,1,0]=2 1485 B11R1.41 COCc1cccnc1C#N 34a_100138415774_100011768898 [0,1,0,0,0,0|3,0,0]=4 1486 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [0,1,0,0,0,0|1,0,0]=2 1487 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [0,1,0,0,0,0|1,0,0]=2 1488 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [0,1,0,0,0,0|1,0,0]=2 1489 B11R1.41 COc1ccccc1CC#N 34a_100000043107_200000210301 [0,1,0,0,0,0|1,0,1]=3 1490 B11R1.41 COc1ccccc1CC#N 7a_100000043107_200000210301 [0,1,0,0,0,0|1,0,1]=3 1491 B11R1.41 COc1ccccc1CCBr 34a_100000722297_200000210301 [0,1,0,0,0,0|1,0,0]=2 1492 B11R1.41 COc1ccccc1CCBr 7a_100000722297_200000210301 [0,1,0,0,0,0|1,0,0]=2 1493 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [0,1,0,0,0,0|1,0,0]=2 1494 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [0,1,0,0,0,0|1,0,0]=2 1495 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [0,1,0,0,0,0|1,0,0]=2 1496 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [0,1,0,0,0,0|1,0,0]=2 1497 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [0,1,0,0,0,0|0,0,0]=1 1498 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [0,1,0,0,0,0|0,1,0]=2 1499 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [0,1,0,0,0,0|0,1,0]=2 1500 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [0,1,0,0,0,0|0,1,0]=2 1501 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [0,1,0,0,0,0|0,1,0]=2 1502 B11R1.41 COc1ccccc1NCF 34a_100000210025_100015361967 [0,1,0,0,0,0|1,0,0]=2 1503 B11R1.41 COc1ccccc1OCF 34a_100000210385_100015361967 [0,1,0,0,0,0|0,0,0]=1 1504 B11R1.41 COc1ccccc1SCF 62a_100000210334_100015361967 [0,1,0,0,0,0|0,1,0]=2 1505 B11R1.41 COc1ccccc1SCF 62a_100015361967_100000210334 [0,1,0,0,0,0|0,1,0]=2 1506 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [0,1,0,0,0,0|1,0,0]=2 1507 B11R1.41 COc1cccnc1OCF 34a_100025773188_100015361967 [0,1,0,0,0,0|1,0,0]=2 1508 B11R1.41 COc1cccnc1SCF 62a_100000767102_100015361967 [0,1,0,0,0,0|1,1,0]=3 1509 B11R1.41 COc1cccnc1SCF 62a_100015361967_100000690851 [0,1,0,0,0,0|1,1,0]=3 1510 B11R1.41 COc1ccncc1OCF 34a_100000101186_100015361967 [0,1,0,0,0,0|1,0,0]=2 1511 B11R1.41 COc1ccncc1SCF 62a_100011997281_100015361967 [0,1,0,0,0,0|1,1,0]=3 1512 B11R1.41 COc1ccncc1SCF 62a_100015361967_100011997281 [0,1,0,0,0,0|1,1,0]=3 1513 B11R1.41 COc1cnccc1CSC 62a_100020635607_200000210301 [0,1,0,0,0,0|1,1,0]=3 1514 B11R1.41 COc1cnccc1CSC 62a_200000210301_100020635607 [0,1,0,0,0,0|1,1,0]=3 1515 B11R1.41 COc1cnccc1CS[13CH3] 62a_100020635607_200025704644 [0,1,0,0,0,0|1,1,0]=3 1516 B11R1.41 COc1cnccc1CS[13CH3] 62a_200025704644_100020635607 [0,1,0,0,0,0|1,1,0]=3 1517 B11R1.41 COc1cnccc1SCF 62a_100015361967_100016988167 [0,1,0,0,0,0|1,1,0]=3 1518 B11R1.41 COc1cnccc1SCF 62a_100016988167_100015361967 [0,1,0,0,0,0|1,1,0]=3 1519 B11R1.41 COc1cncnc1SCF 62a_100012001275_100015361967 [0,1,0,0,0,0|2,1,0]=4 1520 B11R1.41 COc1cncnc1SCF 62a_100015361967_100012001275 [0,1,0,0,0,0|2,1,0]=4 1521 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [0,1,0,0,0,0|1,0,0]=2 1522 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [0,1,0,0,0,0|1,1,0]=3 1523 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [0,1,0,0,0,0|1,1,0]=3 1524 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [0,1,0,0,0,0|1,1,0]=3 1525 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [0,1,0,0,0,0|1,1,0]=3 1526 B11R1.41 COc1ncccc1OCF 34a_100000698397_100015361967 [0,1,0,0,0,0|1,0,0]=2 1527 B11R1.41 COc1ncccc1OCF 7a_100000698397_100015361967 [0,1,0,0,0,0|1,0,0]=2 1528 B11R1.41 COc1ncccc1SCF 62a_100000047025_100015361967 [0,1,0,0,0,0|1,1,0]=3 1529 B11R1.41 COc1ncccc1SCF 62a_100015361967_100000047025 [0,1,0,0,0,0|1,1,0]=3 1530 B11R1.41 COc1nccnc1SCF 62a_100009858322_100015361967 [0,1,0,0,0,0|2,1,0]=4 1531 B11R1.41 COc1nccnc1SCF 62a_100015361967_100000749998 [0,1,0,0,0,0|2,1,0]=4 1532 B11R1.41 COc1ncncc1SCF 62a_100000719902_100015361967 [0,1,0,0,0,0|2,1,0]=4 1533 B11R1.41 COc1ncncc1SCF 62a_100015361967_100000719902 [0,1,0,0,0,0|2,1,0]=4 1534 B11R1.41 CSCc1ccccc1C#N 62a_100000186380_200000210301 [0,1,0,0,0,0|2,1,0]=4 1535 B11R1.41 CSCc1ccccc1C#N 62a_200000210301_100000181865 [0,1,0,0,0,0|2,1,0]=4 1536 B11R1.41 CSCc1ccccc1C=O 62a_200000210301_200009853537 [0,1,0,0,0,0|2,1,0]=4 1537 B11R1.41 CSCc1ccccc1C=O 62a_200009853537_200000210301 [0,1,0,0,0,0|2,1,0]=4 1538 B11R1.41 CSCc1ccccc1CO 62a_100009816955_200000210301 [0,1,0,0,0,0|2,1,0]=4 1539 B11R1.41 CSCc1ccccc1CO 62a_200000210301_100009816955 [0,1,0,0,0,0|2,1,0]=4 1540 B11R1.41 CSCc1ccccc1SC 62a_100000148299_200000210301 [0,1,0,0,0,0|0,2,0]=3 1541 B11R1.41 CSCc1ccccc1SC 62a_100000699184_200000210301 [0,1,0,0,0,0|0,2,0]=3 1542 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000148299 [0,1,0,0,0,0|0,2,0]=3 1543 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000699184 [0,1,0,0,0,0|0,2,0]=3 1544 B11R1.41 CSCc1ccccc1S[13CH3] 62a_100000148299_200025704644 [0,1,0,0,0,0|0,2,0]=3 1545 B11R1.41 CSCc1ccccc1S[13CH3] 62a_200025704644_100000148299 [0,1,0,0,0,0|0,2,0]=3 1546 B11R1.41 CSc1ccccc1CC#N 62a_100000033512_200000210301 [0,1,0,0,0,0|1,1,1]=4 1547 B11R1.41 CSc1ccccc1CC#N 62a_200000210301_100000033512 [0,1,0,0,0,0|1,1,1]=4 1548 B11R1.41 CSc1ccccc1CCN 62a_100000747383_200000210301 [0,1,0,0,0,0|1,1,0]=3 1549 B11R1.41 CSc1ccccc1CCN 62a_200000210301_100000747383 [0,1,0,0,0,0|1,1,0]=3 1550 B11R1.41 CSc1ccccc1CCO 62a_100000731337_200000210301 [0,1,0,0,0,0|1,1,0]=3 1551 B11R1.41 CSc1ccccc1CCO 62a_200000210301_100000731337 [0,1,0,0,0,0|1,1,0]=3 1552 B11R1.41 CSc1ccccc1CNN 62a_200000210301_200016993956 [0,1,0,0,0,0|2,1,0]=4 1553 B11R1.41 CSc1ccccc1CNN 62a_200016993956_200000210301 [0,1,0,0,0,0|2,1,0]=4 1554 B11R1.41 CSc1ccccc1CN[13CH3] 34a_102495365025_200025704644 [0,1,0,0,0,0|1,1,0]=3 1555 B11R1.41 CSc1ccccc1CO[13CH3] 34a_100000699167_200025704644 [0,1,0,0,0,0|0,1,0]=2 1556 B11R1.41 CSc1ccccc1CS[13CH3] 62a_100000699184_200025704644 [0,1,0,0,0,0|0,2,0]=3 1557 B11R1.41 CSc1ccccc1CS[13CH3] 62a_200025704644_100000699184 [0,1,0,0,0,0|0,2,0]=3 1558 B11R1.41 CSc1ccccc1N=[N+]=[N-] 62a_200000210301_100000762926 [0,1,0,0,0,0|2,1,0]=4 1559 B11R1.41 CSc1ccccc1NC#N 62a_200000210301_100011685340 [0,1,0,0,0,0|1,1,1]=4 1560 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [0,1,0,0,0,0|1,1,1]=4 1561 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [0,1,0,0,0,0|1,1,1]=4 1562 B11R1.41 CSc1ccccc1NCF 34a_100000211160_100015361967 [0,1,0,0,0,0|1,1,0]=3 1563 B11R1.41 CSc1ccccc1OCF 34a_100011216402_100015361967 [0,1,0,0,0,0|0,1,0]=2 1564 B11R1.41 CSc1ccccc1SCF 62a_100011217816_100015361967 [0,1,0,0,0,0|0,2,0]=3 1565 B11R1.41 CSc1ccccc1SCF 62a_100015361967_100011217816 [0,1,0,0,0,0|0,2,0]=3 1566 B11R1.41 CSc1ncccc1SCF 62a_100011465278_100015361967 [0,1,0,0,0,0|1,2,0]=4 1567 B11R1.41 CSc1ncccc1SCF 62a_100015361967_100011465278 [0,1,0,0,0,0|1,2,0]=4 1568 B11R1.41 FCOc1cccnc1CBr 34a_200020655725_100015361967 [0,1,0,0,0,0|3,0,0]=4 1569 B11R1.41 FCOc1cccnc1CBr 7a_200020655725_100015361967 [0,1,0,0,0,0|3,0,0]=4 1570 B11R1.41 N#Cc1ccccc1NCF 34a_100000211148_100015361967 [0,1,0,0,0,0|3,0,0]=4 1571 B11R1.41 N#Cc1ccccc1OCF 34a_100000211048_100015361967 [0,1,0,0,0,0|2,0,0]=3 1572 B11R1.41 N#Cc1ccccc1OCF 7a_100000211048_100015361967 [0,1,0,0,0,0|2,0,0]=3 1573 B11R1.41 N#Cc1ccccc1SCF 62a_100015361967_100000188569 [0,1,0,0,0,0|2,1,0]=4 1574 B11R1.41 N#Cc1ccncc1OCF 7a_100012181322_100015361967 [0,1,0,0,0,0|3,0,0]=4 1575 B11R1.41 N#Cc1ncccc1OCF 34a_100000722750_100015361967 [0,1,0,0,0,0|3,0,0]=4 1576 B11R1.41 N#Cc1ncccc1OCF 7a_100000722750_100015361967 [0,1,0,0,0,0|3,0,0]=4 1577 B11R1.41 NCc1ccccc1OCF 34a_100000185550_100015361967 [0,1,0,0,0,0|2,0,0]=3 1578 B11R1.41 NCc1ccccc1SCF 62a_100000689332_100015361967 [0,1,0,0,0,0|2,1,0]=4 1579 B11R1.41 NCc1ccccc1SCF 62a_100015361967_100000689332 [0,1,0,0,0,0|2,1,0]=4 1580 B11R1.41 NNc1ccccc1SCF 62a_100000241748_100015361967 [0,1,0,0,0,0|2,1,0]=4 1581 B11R1.41 NNc1ccccc1SCF 62a_100015361967_100000241748 [0,1,0,0,0,0|2,1,0]=4 1582 B11R1.41 O=Cc1ccccc1SCF 62a_100000210073_100015361967 [0,1,0,0,0,0|2,1,0]=4 1583 B11R1.41 O=Cc1ccccc1SCF 62a_100015361967_100000210073 [0,1,0,0,0,0|2,1,0]=4 1584 B11R1.41 OCc1ccccc1NCF 34a_100000212039_100015361967 [0,1,0,0,0,0|3,0,0]=4 1585 B11R1.41 OCc1ccccc1OCF 34a_100011216872_100015361967 [0,1,0,0,0,0|2,0,0]=3 1586 B11R1.41 OCc1ccccc1SCF 62a_100000187465_100015361967 [0,1,0,0,0,0|2,1,0]=4 1587 B11R1.41 OCc1ccccc1SCF 62a_100015361967_100000187465 [0,1,0,0,0,0|2,1,0]=4 1588 B11R1.41 OCc1ccncc1OCF 34a_100000078615_100015361967 [0,1,0,0,0,0|3,0,0]=4 1589 B11R1.41 OCc1ncccc1OCF 34a_100000731849_100015361967 [0,1,0,0,0,0|3,0,0]=4 1590 B11R1.41 [13CH3]NCc1ccccc1C#N 34a_100016989011_200025704644 [0,1,0,0,0,0|3,0,0]=4 1591 B11R1.41 [13CH3]Nc1ccccc1CCO 2230a_100011215289_200025704644 [0,1,0,0,0,0|2,0,0]=3 1592 B11R1.41 [13CH3]Nc1ccccc1CCO 34a_100011215289_200025704644 [0,1,0,0,0,0|2,0,0]=3 1593 B11R1.41 [13CH3]OCc1ccccc1C#N 34a_200011269968_200025704644 [0,1,0,0,0,0|2,0,0]=3 1594 B11R1.41 [13CH3]OCc1ccccc1C#N 7a_200011269968_200025704644 [0,1,0,0,0,0|2,0,0]=3 1595 B11R1.41 [13CH3]OCc1ccccc1CBr 34a_100009816955_200025704644 [0,1,0,0,0,0|2,0,0]=3 1596 B11R1.41 [13CH3]OCc1ccccc1CBr 7a_100009816955_200025704644 [0,1,0,0,0,0|2,0,0]=3 1597 B11R1.41 [13CH3]OCc1ccccc1CN 34a_100000743596_200025704644 [0,1,0,0,0,0|2,0,0]=3 1598 B11R1.41 [13CH3]Oc1ccccc1CC#N 34a_100000043107_200025704644 [0,1,0,0,0,0|1,0,1]=3 1599 B11R1.41 [13CH3]Oc1ccccc1CC#N 7a_100000043107_200025704644 [0,1,0,0,0,0|1,0,1]=3 1600 B11R1.41 [13CH3]Oc1ccccc1CCBr 34a_100000722297_200025704644 [0,1,0,0,0,0|1,0,0]=2 1601 B11R1.41 [13CH3]Oc1ccccc1CCBr 7a_100000722297_200025704644 [0,1,0,0,0,0|1,0,0]=2 1602 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [0,1,0,0,0,0|1,0,0]=2 1603 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [0,1,0,0,0,0|1,0,0]=2 1604 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [0,1,0,0,0,0|1,0,0]=2 1605 B11R1.41 [13CH3]SCc1ccccc1C#N 62a_100000186380_200025704644 [0,1,0,0,0,0|2,1,0]=4 1606 B11R1.41 [13CH3]SCc1ccccc1C#N 62a_200025704644_100000181865 [0,1,0,0,0,0|2,1,0]=4 1607 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200009853537_200025704644 [0,1,0,0,0,0|2,1,0]=4 1608 B11R1.41 [13CH3]SCc1ccccc1C=O 62a_200025704644_200009853537 [0,1,0,0,0,0|2,1,0]=4 1609 B11R1.41 [13CH3]SCc1ccccc1CO 62a_100009816955_200025704644 [0,1,0,0,0,0|2,1,0]=4 1610 B11R1.41 [13CH3]SCc1ccccc1CO 62a_200025704644_100009816955 [0,1,0,0,0,0|2,1,0]=4 1611 B11R1.41 [13CH3]Sc1ccccc1CC#N 62a_100000033512_200025704644 [0,1,0,0,0,0|1,1,1]=4 1612 B11R1.41 [13CH3]Sc1ccccc1CC#N 62a_200025704644_100000033512 [0,1,0,0,0,0|1,1,1]=4 1613 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_100000747383_200025704644 [0,1,0,0,0,0|1,1,0]=3 1614 B11R1.41 [13CH3]Sc1ccccc1CCN 62a_200025704644_100000747383 [0,1,0,0,0,0|1,1,0]=3 1615 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_100000731337_200025704644 [0,1,0,0,0,0|1,1,0]=3 1616 B11R1.41 [13CH3]Sc1ccccc1CCO 62a_200025704644_100000731337 [0,1,0,0,0,0|1,1,0]=3 1617 B11R1.41 [13CH3]Sc1ccccc1CNN 62a_200016993956_200025704644 [0,1,0,0,0,0|2,1,0]=4 1618 B11R1.41 [13CH3]Sc1ccccc1CNN 62a_200025704644_200016993956 [0,1,0,0,0,0|2,1,0]=4 1619 B11R1.41 [13CH3]Sc1ccccc1N=[N+]=[N-] 62a_200025704644_100000762926 [0,1,0,0,0,0|2,1,0]=4 1620 B11R1.41 [13CH3]Sc1ccccc1NC#N 62a_200025704644_100011685340 [0,1,0,0,0,0|1,1,1]=4 1621 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [0,1,0,0,0,0|1,1,1]=4 1622 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [0,1,0,0,0,0|1,1,1]=4 1623 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,1,0,0,0,0|2,0,1]=4 1624 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,1,0,0,0,0|2,0,1]=4 1625 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [0,1,0,0,0,0|3,0,0]=4 1626 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [0,1,0,0,0,0|3,0,0]=4 1627 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,1,0,0,0,0|2,0,0]=3 1628 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,1,0,0,0,0|3,0,0]=4 1629 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,1,0,0,0,0|3,0,0]=4 1630 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,1,0,0,0,0|2,0,0]=3 1631 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,1,0,0,0,0|2,0,0]=3 1632 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [0,1,0,0,0,0|3,0,0]=4 1633 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,1,0,0,0,0|2,0,0]=3 1634 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,1,0,0,0,0|1,0,0]=2 1635 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,1,0,0,0,0|1,1,0]=3 1636 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,1,0,0,0,0|3,0,0]=4 1637 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,1,0,0,0,0|3,0,0]=4 1638 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,1,0,0,0,0|2,0,0]=3 1639 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,1,0,0,0,0|2,1,0]=4 1640 B11R1.53 C=C(C)c1ccncc1CC 271570a_100000694244_100025704421 [0,1,0,0,0,0|3,0,0]=4 1641 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [0,1,0,0,0,0|2,0,0]=3 1642 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [0,1,0,0,0,0|3,0,0]=4 1643 B11R1.53 C=C(C)c1cnccc1NC 271570a_100000694244_100010069531 [0,1,0,0,0,0|3,0,0]=4 1644 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [0,1,0,0,0,0|2,0,0]=3 1645 B11R1.53 C=C(C)c1cncnc1OC 271570a_100000694244_100000719902 [0,1,0,0,0,0|3,0,0]=4 1646 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,1,0,0,0,0|3,0,0]=4 1647 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,1,0,0,0,0|2,0,0]=3 1648 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,1,0,0,0,0|3,0,0]=4 1649 B11R1.53 C=C(C)c1ncncc1OC 271570a_100000694244_100012001275 [0,1,0,0,0,0|3,0,0]=4 1650 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,1,0,0,0,0|2,0,1]=4 1651 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,1,0,0,0,0|2,0,1]=4 1652 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,1,0,0,0,0|2,0,1]=4 1653 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [0,1,0,0,0,0|2,0,1]=4 1654 B11R1.53 C=Cc1ccccc1C(C)N 271570a_100011290941_100000181357 [0,1,0,0,0,0|2,0,1]=4 1655 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [0,1,0,0,0,0|2,0,1]=4 1656 B11R1.53 C=Cc1ccccc1N(C)C 271570a_100011290941_100011290883 [0,1,0,0,0,0|2,0,1]=4 1657 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,1,0,0,0,0|1,1,1]=4 1658 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,1,0,0,0,0|3,0,0]=4 1659 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,1,0,0,0,0|3,0,0]=4 1660 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,1,0,0,0,0|3,0,0]=4 1661 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,1,0,0,0,0|1,1,0]=3 1662 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,1,0,0,0,0|2,1,0]=4 1663 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,1,0,0,0,0|2,1,0]=4 1664 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,1,0,0,0,0|2,0,0]=3 1665 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,1,0,0,0,0|2,1,0]=4 1666 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,1,0,0,0,0|2,1,0]=4 1667 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,1,0,0,0,0|2,1,0]=4 1668 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,1,0,0,0,0|2,1,0]=4 1669 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,1,0,0,0,0|2,0,0]=3 1670 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,1,0,0,0,0|2,0,0]=3 1671 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,1,0,0,0,0|2,1,0]=4 1672 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,1,0,0,0,0|2,1,0]=4 1673 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [0,1,0,0,0,0|2,0,0]=3 1674 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [0,1,0,0,0,0|2,0,0]=3 1675 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [0,1,0,0,0,0|2,0,0]=3 1676 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [0,1,0,0,0,0|1,0,0]=2 1677 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [0,1,0,0,0,0|1,0,0]=2 1678 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [0,1,0,0,0,0|1,1,0]=3 1679 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [0,1,0,0,0,0|1,1,0]=3 1680 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [0,1,0,0,0,0|2,1,0]=4 1681 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [0,1,0,0,0,0|2,1,0]=4 1682 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,1,0,0,0,0|2,0,0]=3 1683 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,1,0,0,0,0|2,0,0]=3 1684 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [0,1,0,0,0,0|1,1,0]=3 1685 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [0,1,0,0,0,0|1,1,0]=3 1686 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [0,1,0,0,0,0|2,1,0]=4 1687 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [0,1,0,0,0,0|2,1,0]=4 1688 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [0,1,0,0,0,0|2,0,0]=3 1689 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,1,0,0,0,0|1,0,0]=2 1690 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,1,0,0,0,0|1,0,0]=2 1691 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [0,1,0,0,0,0|1,1,0]=3 1692 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [0,1,0,0,0,0|1,1,0]=3 1693 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [0,1,0,0,0,0|2,1,0]=4 1694 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [0,1,0,0,0,0|2,1,0]=4 1695 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,1,0,0,0,0|2,0,0]=3 1696 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,1,0,0,0,0|2,0,0]=3 1697 B11R1.53 CN(C)c1ccccc1C#N 2230a_100000744078_200000210301 [0,1,0,0,0,0|3,0,0]=4 1698 B11R1.53 CN(C)c1ccccc1C#N 269982a_100000744078_200000210301 [0,1,0,0,0,0|3,0,0]=4 1699 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [0,1,0,0,0,0|1,1,0]=3 1700 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [0,1,0,0,0,0|1,1,0]=3 1701 B11R1.53 CN(C)c1ccncc1S[13CH3] 62a_100012355995_200025704644 [0,1,0,0,0,0|2,1,0]=4 1702 B11R1.53 CN(C)c1ccncc1S[13CH3] 62a_200025704644_100012355995 [0,1,0,0,0,0|2,1,0]=4 1703 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [0,1,0,0,0,0|2,1,0]=4 1704 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [0,1,0,0,0,0|2,1,0]=4 1705 B11R1.53 CN([13CH3])c1ccccc1C#N 2230a_100000744078_200025704644 [0,1,0,0,0,0|3,0,0]=4 1706 B11R1.53 CN([13CH3])c1ccccc1C#N 269982a_100000744078_200025704644 [0,1,0,0,0,0|3,0,0]=4 1707 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,1,0,0,0,0|3,0,0]=4 1708 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [0,1,0,0,0,0|2,0,0]=3 1709 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [0,1,0,0,0,0|2,0,0]=3 1710 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [0,1,0,0,0,0|2,0,0]=3 1711 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [0,1,0,0,0,0|2,0,0]=3 1712 B11R1.53 CNc1ccccc1C(F)F 2230a_100000734540_200000210301 [0,1,0,0,0,0|3,0,0]=4 1713 B11R1.53 CNc1ccccc1C(F)F 34a_100000734540_200000210301 [0,1,0,0,0,0|3,0,0]=4 1714 B11R1.53 CNc1ccccc1C(F)F 7a_100000734540_200000210301 [0,1,0,0,0,0|3,0,0]=4 1715 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,1,0,0,0,0|3,0,0]=4 1716 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,1,0,0,0,0|3,0,0]=4 1717 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,1,0,0,0,0|1,0,0]=2 1718 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,1,0,0,0,0|2,0,0]=3 1719 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,1,0,0,0,0|2,0,0]=3 1720 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,1,0,0,0,0|1,0,0]=2 1721 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,1,0,0,0,0|2,0,0]=3 1722 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [0,1,0,0,0,0|2,0,0]=3 1723 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [0,1,0,0,0,0|1,0,0]=2 1724 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [0,1,0,0,0,0|1,0,0]=2 1725 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,1,0,0,0,0|1,0,0]=2 1726 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,1,0,0,0,0|1,0,0]=2 1727 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [0,1,0,0,0,0|1,0,0]=2 1728 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [0,1,0,0,0,0|1,0,0]=2 1729 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [0,1,0,0,0,0|1,0,0]=2 1730 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [0,1,0,0,0,0|1,0,0]=2 1731 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [0,1,0,0,0,0|1,0,0]=2 1732 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [0,1,0,0,0,0|1,0,0]=2 1733 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [0,1,0,0,0,0|1,0,0]=2 1734 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [0,1,0,0,0,0|2,0,0]=3 1735 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [0,1,0,0,0,0|2,0,0]=3 1736 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,1,0,0,0,0|2,0,0]=3 1737 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,1,0,0,0,0|2,0,0]=3 1738 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,1,0,0,0,0|3,0,0]=4 1739 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,1,0,0,0,0|3,0,0]=4 1740 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,1,0,0,0,0|2,0,0]=3 1741 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,1,0,0,0,0|2,0,0]=3 1742 B11R1.53 COc1cccnc1[N+](=O)[O-] 7a_100000183951_200000210301 [0,1,0,0,0,0|3,0,0]=4 1743 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [0,1,0,0,0,0|3,0,0]=4 1744 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,1,0,0,0,0|2,0,0]=3 1745 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [0,1,0,0,0,0|3,0,0]=4 1746 B11R1.53 COc1cnccc1C(F)F 34a_100010834524_200000210301 [0,1,0,0,0,0|3,0,0]=4 1747 B11R1.53 COc1cnccc1C(F)F 7a_100010834524_200000210301 [0,1,0,0,0,0|3,0,0]=4 1748 B11R1.53 COc1cncnc1N(C)C 27a_100102631434_100012001275 [0,1,0,0,0,0|3,0,0]=4 1749 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [0,1,0,0,0,0|3,0,0]=4 1750 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,1,0,0,0,0|0,2,0]=3 1751 B11R1.53 CSc1ccccc1B(O)O 62a_100000693059_200000210301 [0,1,0,0,0,0|2,1,0]=4 1752 B11R1.53 CSc1ccccc1B(O)O 62a_200000210301_100000693059 [0,1,0,0,0,0|2,1,0]=4 1753 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,1,0,0,0,0|1,1,0]=3 1754 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,1,0,0,0,0|1,1,0]=3 1755 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,1,0,0,0,0|2,1,0]=4 1756 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,1,0,0,0,0|2,1,0]=4 1757 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,1,0,0,0,0|2,1,0]=4 1758 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,1,0,0,0,0|2,1,0]=4 1759 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,1,0,0,0,0|1,1,0]=3 1760 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [0,1,0,0,0,0|1,1,0]=3 1761 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [0,1,0,0,0,0|1,1,0]=3 1762 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [0,1,0,0,0,0|1,1,0]=3 1763 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [0,1,0,0,0,0|1,1,0]=3 1764 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [0,1,0,0,0,0|1,1,0]=3 1765 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [0,1,0,0,0,0|1,1,0]=3 1766 B11R1.53 CSc1ccccc1C(F)F 62a_100010169824_200000210301 [0,1,0,0,0,0|2,1,0]=4 1767 B11R1.53 CSc1ccccc1C(F)F 62a_200000210301_100010169824 [0,1,0,0,0,0|2,1,0]=4 1768 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [0,1,0,0,0,0|1,1,0]=3 1769 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [0,1,0,0,0,0|1,1,0]=3 1770 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,1,0,0,0,0|0,2,0]=3 1771 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,1,0,0,0,0|2,1,0]=4 1772 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,1,0,0,0,0|2,1,0]=4 1773 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [0,1,0,0,0,0|2,1,0]=4 1774 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [0,1,0,0,0,0|2,1,0]=4 1775 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [0,1,0,0,0,0|2,1,0]=4 1776 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [0,1,0,0,0,0|2,1,0]=4 1777 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [0,1,0,0,0,0|2,1,0]=4 1778 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [0,1,0,0,0,0|2,1,0]=4 1779 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,1,0,0,0,0|2,1,0]=4 1780 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,1,0,0,0,0|2,1,0]=4 1781 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,1,0,0,0,0|2,1,0]=4 1782 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,1,0,0,0,0|2,1,0]=4 1783 B11R1.53 CSc1cnccc1N(C)C 62a_100012355995_200000210301 [0,1,0,0,0,0|2,1,0]=4 1784 B11R1.53 CSc1cnccc1N(C)C 62a_200000210301_100012355995 [0,1,0,0,0,0|2,1,0]=4 1785 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,1,0,0,0,0|2,1,0]=4 1786 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,1,0,0,0,0|2,1,0]=4 1787 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [0,1,0,0,0,0|2,1,0]=4 1788 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [0,1,0,0,0,0|2,1,0]=4 1789 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [0,1,0,0,0,0|2,1,0]=4 1790 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [0,1,0,0,0,0|2,1,0]=4 1791 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [0,1,0,0,0,0|1,0,0]=2 1792 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [0,1,0,0,0,0|2,1,0]=4 1793 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [0,1,0,0,0,0|2,1,0]=4 1794 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,1,0,0,0,0|3,0,0]=4 1795 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,1,0,0,0,0|3,0,0]=4 1796 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,1,0,0,0,0|3,0,0]=4 1797 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,1,0,0,0,0|3,0,0]=4 1798 B11R1.53 [13CH3]Nc1ccccc1C(F)F 2230a_100000734540_200025704644 [0,1,0,0,0,0|3,0,0]=4 1799 B11R1.53 [13CH3]Nc1ccccc1C(F)F 34a_100000734540_200025704644 [0,1,0,0,0,0|3,0,0]=4 1800 B11R1.53 [13CH3]Nc1ccccc1C(F)F 7a_100000734540_200025704644 [0,1,0,0,0,0|3,0,0]=4 1801 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,1,0,0,0,0|2,0,0]=3 1802 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,1,0,0,0,0|2,0,0]=3 1803 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,1,0,0,0,0|2,0,0]=3 1804 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [0,1,0,0,0,0|2,0,0]=3 1805 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [0,1,0,0,0,0|2,0,0]=3 1806 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [0,1,0,0,0,0|2,0,0]=3 1807 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,1,0,0,0,0|3,0,0]=4 1808 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,1,0,0,0,0|3,0,0]=4 1809 B11R1.53 [13CH3]Oc1cccnc1[N+](=O)[O-] 7a_100000183951_200025704644 [0,1,0,0,0,0|3,0,0]=4 1810 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [0,1,0,0,0,0|3,0,0]=4 1811 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [0,1,0,0,0,0|3,0,0]=4 1812 B11R1.53 [13CH3]Oc1cnccc1C(F)F 34a_100010834524_200025704644 [0,1,0,0,0,0|3,0,0]=4 1813 B11R1.53 [13CH3]Oc1cnccc1C(F)F 7a_100010834524_200025704644 [0,1,0,0,0,0|3,0,0]=4 1814 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_100000693059_200025704644 [0,1,0,0,0,0|2,1,0]=4 1815 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_200025704644_100000693059 [0,1,0,0,0,0|2,1,0]=4 1816 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,1,0,0,0,0|2,1,0]=4 1817 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,1,0,0,0,0|2,1,0]=4 1818 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,1,0,0,0,0|2,1,0]=4 1819 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,1,0,0,0,0|2,1,0]=4 1820 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_100010169824_200025704644 [0,1,0,0,0,0|2,1,0]=4 1821 B11R1.53 [13CH3]Sc1ccccc1C(F)F 62a_200025704644_100010169824 [0,1,0,0,0,0|2,1,0]=4 1822 B11R1.265 C=Cc1c(cccc1CC)C 271570a_100011290941_100000036235 [0,1,0,0,0,0|2,0,1]=4 1823 B11R1.265 C=Cc1c(cccc1OC)Br 271570a_100011290941_100010131421 [0,1,0,0,0,0|1,0,1]=3 1824 B11R1.265 C=Cc1c(cccc1OC)F 271570a_100011290941_100000041735 [0,1,0,0,0,0|1,0,1]=3 1825 B11R1.265 C=Cc1c(cccc1OC)N 271570a_100011290941_100000703447 [0,1,0,0,0,0|1,0,1]=3 1826 B11R1.265 C=Cc1c(cccc1OC)O 271570a_100011290941_100010202623 [0,1,0,0,0,0|1,0,1]=3 1827 B11R1.265 C=Cc1c(ccnc1OC)C 271570a_100011290941_100012353928 [0,1,0,0,0,0|2,0,1]=4 1828 B11R1.265 C=Cc1c(ccnc1OC)N 271570a_100011290941_100010243811 [0,1,0,0,0,0|2,0,1]=4 1829 B11R1.265 C=Cc1cccc(c1NC)N 271570a_100011290941_100010510394 [0,1,0,0,0,0|2,0,1]=4 1830 B11R1.265 C=Cc1cccc(c1OC)Br 271570a_100011290941_100010146560 [0,1,0,0,0,0|1,0,1]=3 1831 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [0,1,0,0,0,0|1,0,1]=3 1832 B11R1.265 C=Cc1cccc(c1OC)Cl 271570a_100011290941_100010147678 [0,1,0,0,0,0|1,0,1]=3 1833 B11R1.265 C=Cc1cccc(c1OC)F 271570a_100011290941_100009816759 [0,1,0,0,0,0|1,0,1]=3 1834 B11R1.265 C=Cc1cccc(c1OC)N 271570a_100011290941_100011935253 [0,1,0,0,0,0|1,0,1]=3 1835 B11R1.265 C=Cc1cccc(c1OC)O 271570a_100011290941_100010234590 [0,1,0,0,0,0|1,0,1]=3 1836 B11R1.265 C=Cc1cccc(c1SC)F 271570a_100011290941_200010709249 [0,1,0,0,0,0|1,1,1]=4 1837 B11R1.265 C=Cc1ccnc(c1OC)C 271570a_100011290941_100000685116 [0,1,0,0,0,0|2,0,1]=4 1838 B11R1.265 C=Cc1ccnc(c1OC)Cl 271570a_100011290941_100010068014 [0,1,0,0,0,0|2,0,1]=4 1839 B11R1.265 C=Cc1ccnc(c1OC)N 271570a_100011290941_100009880012 [0,1,0,0,0,0|2,0,1]=4 1840 B11R1.265 C=Cc1cncc(c1OC)N 271570a_100011290941_100012359933 [0,1,0,0,0,0|2,0,1]=4 1841 B11R1.265 C=Cc1nccc(c1OC)N 271570a_100011290941_100000104429 [0,1,0,0,0,0|2,0,1]=4 1842 B11R1.265 C=Cc1nccc(c1OC)O 271570a_100011290941_100000104430 [0,1,0,0,0,0|2,0,1]=4 1843 B11R1.265 CCc1cccc(c1NC)C 2230a_100000210048_200000210301 [0,1,0,0,0,0|2,0,0]=3 1844 B11R1.265 CCc1cccc(c1NC)C 34a_100000210048_200000210301 [0,1,0,0,0,0|2,0,0]=3 1845 B11R1.265 CCc1cccc(c1NC)C 7a_100000210048_200000210301 [0,1,0,0,0,0|2,0,0]=3 1846 B11R1.265 CCc1cccc(c1N[13CH3])C 2230a_100000210048_200025704644 [0,1,0,0,0,0|2,0,0]=3 1847 B11R1.265 CCc1cccc(c1N[13CH3])C 34a_100000210048_200025704644 [0,1,0,0,0,0|2,0,0]=3 1848 B11R1.265 CCc1cccc(c1N[13CH3])C 7a_100000210048_200025704644 [0,1,0,0,0,0|2,0,0]=3 1849 B11R1.265 CCc1cccc(c1OC)Br 34a_200010001580_200000210301 [0,1,0,0,0,0|1,0,0]=2 1850 B11R1.265 CCc1cccc(c1OC)Br 7a_200010001580_200000210301 [0,1,0,0,0,0|1,0,0]=2 1851 B11R1.265 CCc1cccc(c1OC)C 34a_100000034007_200000210301 [0,1,0,0,0,0|1,0,0]=2 1852 B11R1.265 CCc1cccc(c1OC)C 7a_100000034007_200000210301 [0,1,0,0,0,0|1,0,0]=2 1853 B11R1.265 CCc1cccc(c1O[13CH3])Br 34a_200010001580_200025704644 [0,1,0,0,0,0|1,0,0]=2 1854 B11R1.265 CCc1cccc(c1O[13CH3])Br 7a_200010001580_200025704644 [0,1,0,0,0,0|1,0,0]=2 1855 B11R1.265 CCc1cccc(c1O[13CH3])C 34a_100000034007_200025704644 [0,1,0,0,0,0|1,0,0]=2 1856 B11R1.265 CCc1cccc(c1O[13CH3])C 7a_100000034007_200025704644 [0,1,0,0,0,0|1,0,0]=2 1857 B11R1.265 CCc1cccc(c1SC)C 62a_100000036235_200000210301 [0,1,0,0,0,0|1,1,0]=3 1858 B11R1.265 CCc1cccc(c1SC)C 62a_200000210301_100000036235 [0,1,0,0,0,0|1,1,0]=3 1859 B11R1.265 CCc1cccc(c1S[13CH3])C 62a_100000036235_200025704644 [0,1,0,0,0,0|1,1,0]=3 1860 B11R1.265 CCc1cccc(c1S[13CH3])C 62a_200025704644_100000036235 [0,1,0,0,0,0|1,1,0]=3 1861 B11R1.265 CCc1occc(=O)c1OC 34a_100000033269_200000210301 [0,1,0,0,0,0|2,0,0]=3 1862 B11R1.265 CCc1occc(=O)c1O[13CH3] 34a_100000033269_200025704644 [0,1,0,0,0,0|2,0,0]=3 1863 B11R1.265 CNc1c(cccc1C#N)C 2230a_100011826843_200000210301 [0,1,0,0,0,0|3,0,0]=4 1864 B11R1.265 CNc1c(cccc1C#N)F 2230a_100011219409_200000210301 [0,1,0,0,0,0|3,0,0]=4 1865 B11R1.265 CNc1c(cccc1C#N)F 34a_100011219409_200000210301 [0,1,0,0,0,0|3,0,0]=4 1866 B11R1.265 CNc1c(cccc1CO)C 34a_100011215590_200000210301 [0,1,0,0,0,0|3,0,0]=4 1867 B11R1.265 CNc1c(cccc1CO)Cl 34a_100012182729_200000210301 [0,1,0,0,0,0|3,0,0]=4 1868 B11R1.265 CNc1c(cccc1CO)F 34a_100000692437_200000210301 [0,1,0,0,0,0|3,0,0]=4 1869 B11R1.265 CNc1c(cccc1OC)Br 34a_100000708083_200000210301 [0,1,0,0,0,0|1,0,0]=2 1870 B11R1.265 CNc1c(cccc1OC)C 2230a_100000758225_200000210301 [0,1,0,0,0,0|1,0,0]=2 1871 B11R1.265 CNc1c(cccc1OC)C 34a_100000758225_200000210301 [0,1,0,0,0,0|1,0,0]=2 1872 B11R1.265 CNc1c(cccc1OC)Cl 34a_100011309317_200000210301 [0,1,0,0,0,0|1,0,0]=2 1873 B11R1.265 CNc1c(cccc1OC)F 34a_100000686744_200000210301 [0,1,0,0,0,0|1,0,0]=2 1874 B11R1.265 CNc1c(cccc1OC)O 34a_100012022766_200000210301 [0,1,0,0,0,0|1,0,0]=2 1875 B11R1.265 CNc1c(cccc1SC)N 62a_100010510394_200000210301 [0,1,0,0,0,0|1,1,0]=3 1876 B11R1.265 CNc1c(cccc1S[13CH3])N 62a_100010510394_200025704644 [0,1,0,0,0,0|1,1,0]=3 1877 B11R1.265 CNc1cccc(c1C#N)Br 27a_100102657272_100010071968 [0,1,0,0,0,0|3,0,0]=4 1878 B11R1.265 CNc1cccc(c1C#N)Br 7a_100011935054_200000210301 [0,1,0,0,0,0|3,0,0]=4 1879 B11R1.265 CNc1cccc(c1C#N)C 2230a_100000763283_200000210301 [0,1,0,0,0,0|3,0,0]=4 1880 B11R1.265 CNc1cccc(c1C#N)C 34a_100000763283_200000210301 [0,1,0,0,0,0|3,0,0]=4 1881 B11R1.265 CNc1cccc(c1C#N)C 7a_100000763283_200000210301 [0,1,0,0,0,0|3,0,0]=4 1882 B11R1.265 CNc1cccc(c1C#N)Cl 2230a_100000236969_200000210301 [0,1,0,0,0,0|3,0,0]=4 1883 B11R1.265 CNc1cccc(c1C#N)Cl 27a_100102657272_200000049503 [0,1,0,0,0,0|3,0,0]=4 1884 B11R1.265 CNc1cccc(c1C#N)Cl 7a_100000236969_200000210301 [0,1,0,0,0,0|3,0,0]=4 1885 B11R1.265 CNc1cccc(c1C#N)F 2230a_100000236971_200000210301 [0,1,0,0,0,0|3,0,0]=4 1886 B11R1.265 CNc1cccc(c1C#N)F 27a_100102657272_100000039607 [0,1,0,0,0,0|3,0,0]=4 1887 B11R1.265 CNc1cccc(c1C#N)F 34a_100000236971_200000210301 [0,1,0,0,0,0|3,0,0]=4 1888 B11R1.265 CNc1cccc(c1C#N)F 7a_100000236971_200000210301 [0,1,0,0,0,0|3,0,0]=4 1889 B11R1.265 CNc1cccc(c1C#N)O 271570a_203496583355_200012769483 [0,1,0,0,0,0|3,0,0]=4 1890 B11R1.265 CNc1cccc(c1CO)Br 34a_100000747656_200000210301 [0,1,0,0,0,0|3,0,0]=4 1891 B11R1.265 CNc1cccc(c1CO)Cl 34a_100011916388_200000210301 [0,1,0,0,0,0|3,0,0]=4 1892 B11R1.265 CNc1cccc(c1CO)F 34a_100011846719_200000210301 [0,1,0,0,0,0|3,0,0]=4 1893 B11R1.265 CNc1cccc(c1OC)Br 34a_100011935253_200000210301 [0,1,0,0,0,0|1,0,0]=2 1894 B11R1.265 CNc1cccc(c1OC)C 34a_100012017360_200000210301 [0,1,0,0,0,0|1,0,0]=2 1895 B11R1.265 CNc1cccc(c1OC)Cl 2230a_100000743799_200000210301 [0,1,0,0,0,0|1,0,0]=2 1896 B11R1.265 CNc1cccc(c1OC)Cl 34a_100000743799_200000210301 [0,1,0,0,0,0|1,0,0]=2 1897 B11R1.265 CNc1cccc(c1OC)F 34a_100011215007_200000210301 [0,1,0,0,0,0|1,0,0]=2 1898 B11R1.265 CNc1ncnc(c1OC)N 27a_100102657272_100011998528 [0,1,0,0,0,0|3,0,0]=4 1899 B11R1.265 COc1c(cccc1C#N)Br 34a_100009817103_200000210301 [0,1,0,0,0,0|2,0,0]=3 1900 B11R1.265 COc1c(cccc1C#N)C 34a_100011659161_200000210301 [0,1,0,0,0,0|2,0,0]=3 1901 B11R1.265 COc1c(cccc1C#N)C 7a_100011659161_200000210301 [0,1,0,0,0,0|2,0,0]=3 1902 B11R1.265 COc1c(cccc1C#N)Cl 34a_100009866432_200000210301 [0,1,0,0,0,0|2,0,0]=3 1903 B11R1.265 COc1c(cccc1C#N)Cl 7a_100009866432_200000210301 [0,1,0,0,0,0|2,0,0]=3 1904 B11R1.265 COc1c(cccc1C#N)F 34a_100000117915_200000210301 [0,1,0,0,0,0|2,0,0]=3 1905 B11R1.265 COc1c(cccc1C#N)F 7a_100000117915_200000210301 [0,1,0,0,0,0|2,0,0]=3 1906 B11R1.265 COc1c(cccc1C#N)O 271570a_203496583355_100009817008 [0,1,0,0,0,0|2,0,0]=3 1907 B11R1.265 COc1c(cccc1C=O)O 271570a_203496583355_100000692592 [0,1,0,0,0,0|2,0,0]=3 1908 B11R1.265 COc1c(cccc1CN)C 34a_100020639391_200000210301 [0,1,0,0,0,0|2,0,0]=3 1909 B11R1.265 COc1c(cccc1CO)F 34a_100011997349_200000210301 [0,1,0,0,0,0|2,0,0]=3 1910 B11R1.265 COc1c(cccc1CO)F 7a_100011997349_200000210301 [0,1,0,0,0,0|2,0,0]=3 1911 B11R1.265 COc1c(cccc1CO)O 271570a_203496583355_100000704359 [0,1,0,0,0,0|2,0,0]=3 1912 B11R1.265 COc1c(cccc1N[13CH3])Br 34a_100011935253_200025704644 [0,1,0,0,0,0|1,0,0]=2 1913 B11R1.265 COc1c(cccc1N[13CH3])C 34a_100012017360_200025704644 [0,1,0,0,0,0|1,0,0]=2 1914 B11R1.265 COc1c(cccc1N[13CH3])Cl 2230a_100000743799_200025704644 [0,1,0,0,0,0|1,0,0]=2 1915 B11R1.265 COc1c(cccc1N[13CH3])Cl 34a_100000743799_200025704644 [0,1,0,0,0,0|1,0,0]=2 1916 B11R1.265 COc1c(cccc1N[13CH3])F 34a_100011215007_200025704644 [0,1,0,0,0,0|1,0,0]=2 1917 B11R1.265 COc1c(cccc1O[13CH3])Br 34a_100010234590_200025704644 [0,1,0,0,0,0|0,0,0]=1 1918 B11R1.265 COc1c(cccc1O[13CH3])Cl 34a_200009886253_200025704644 [0,1,0,0,0,0|0,0,0]=1 1919 B11R1.265 COc1c(cccc1O[13CH3])Cl 7a_200009886253_200025704644 [0,1,0,0,0,0|0,0,0]=1 1920 B11R1.265 COc1c(cccc1SC)Br 62a_100010146560_200000210301 [0,1,0,0,0,0|0,1,0]=2 1921 B11R1.265 COc1c(cccc1SC)Br 62a_200000210301_100010146560 [0,1,0,0,0,0|0,1,0]=2 1922 B11R1.265 COc1c(cccc1SC)C 62a_100010141385_200000210301 [0,1,0,0,0,0|0,1,0]=2 1923 B11R1.265 COc1c(cccc1SC)C 62a_200000210301_100010141385 [0,1,0,0,0,0|0,1,0]=2 1924 B11R1.265 COc1c(cccc1SC)Cl 62a_100010147678_200000210301 [0,1,0,0,0,0|0,1,0]=2 1925 B11R1.265 COc1c(cccc1SC)Cl 62a_200000210301_100010147678 [0,1,0,0,0,0|0,1,0]=2 1926 B11R1.265 COc1c(cccc1SC)F 62a_100009816759_200000210301 [0,1,0,0,0,0|0,1,0]=2 1927 B11R1.265 COc1c(cccc1SC)F 62a_200000210301_100009816759 [0,1,0,0,0,0|0,1,0]=2 1928 B11R1.265 COc1c(cccc1SC)N 62a_100011935253_200000210301 [0,1,0,0,0,0|0,1,0]=2 1929 B11R1.265 COc1c(cccc1SC)O 62a_200000210301_100010234590 [0,1,0,0,0,0|0,1,0]=2 1930 B11R1.265 COc1c(cccc1S[13CH3])Br 62a_100010146560_200025704644 [0,1,0,0,0,0|0,1,0]=2 1931 B11R1.265 COc1c(cccc1S[13CH3])Br 62a_200025704644_100010146560 [0,1,0,0,0,0|0,1,0]=2 1932 B11R1.265 COc1c(cccc1S[13CH3])C 62a_100010141385_200025704644 [0,1,0,0,0,0|0,1,0]=2 1933 B11R1.265 COc1c(cccc1S[13CH3])C 62a_200025704644_100010141385 [0,1,0,0,0,0|0,1,0]=2 1934 B11R1.265 COc1c(cccc1S[13CH3])Cl 62a_100010147678_200025704644 [0,1,0,0,0,0|0,1,0]=2 1935 B11R1.265 COc1c(cccc1S[13CH3])Cl 62a_200025704644_100010147678 [0,1,0,0,0,0|0,1,0]=2 1936 B11R1.265 COc1c(cccc1S[13CH3])F 62a_100009816759_200025704644 [0,1,0,0,0,0|0,1,0]=2 1937 B11R1.265 COc1c(cccc1S[13CH3])F 62a_200025704644_100009816759 [0,1,0,0,0,0|0,1,0]=2 1938 B11R1.265 COc1c(cccc1S[13CH3])N 62a_100011935253_200025704644 [0,1,0,0,0,0|0,1,0]=2 1939 B11R1.265 COc1c(cccc1S[13CH3])O 62a_200025704644_100010234590 [0,1,0,0,0,0|0,1,0]=2 1940 B11R1.265 COc1c(ccnc1C)SC 62a_100000685116_200000210301 [0,1,0,0,0,0|1,1,0]=3 1941 B11R1.265 COc1c(ccnc1C)SC 62a_200000210301_100000685116 [0,1,0,0,0,0|1,1,0]=3 1942 B11R1.265 COc1c(ccnc1C)S[13CH3] 62a_100000685116_200025704644 [0,1,0,0,0,0|1,1,0]=3 1943 B11R1.265 COc1c(ccnc1C)S[13CH3] 62a_200025704644_100000685116 [0,1,0,0,0,0|1,1,0]=3 1944 B11R1.265 COc1c(ccnc1CO)O 271570a_203496583355_100009869429 [0,1,0,0,0,0|3,0,0]=4 1945 B11R1.265 COc1c(ccnc1Cl)O[13CH3] 34a_100000104430_200025704644 [0,1,0,0,0,0|1,0,0]=2 1946 B11R1.265 COc1c(ccnc1Cl)SC 62a_100010068014_200000210301 [0,1,0,0,0,0|1,1,0]=3 1947 B11R1.265 COc1c(ccnc1Cl)SC 62a_200000210301_100010068014 [0,1,0,0,0,0|1,1,0]=3 1948 B11R1.265 COc1c(ccnc1Cl)S[13CH3] 62a_100010068014_200025704644 [0,1,0,0,0,0|1,1,0]=3 1949 B11R1.265 COc1c(ccnc1Cl)S[13CH3] 62a_200025704644_100010068014 [0,1,0,0,0,0|1,1,0]=3 1950 B11R1.265 COc1c(ccnc1N)SC 62a_100009880012_200000210301 [0,1,0,0,0,0|1,1,0]=3 1951 B11R1.265 COc1c(ccnc1N)SC 62a_200000210301_100009880012 [0,1,0,0,0,0|1,1,0]=3 1952 B11R1.265 COc1c(ccnc1N)S[13CH3] 62a_100009880012_200025704644 [0,1,0,0,0,0|1,1,0]=3 1953 B11R1.265 COc1c(ccnc1N)S[13CH3] 62a_200025704644_100009880012 [0,1,0,0,0,0|1,1,0]=3 1954 B11R1.265 COc1c(ccnc1O)C=O 271570a_203496583355_200009814792 [0,1,0,0,0,0|3,0,0]=4 1955 B11R1.265 COc1c(ccnc1SC)N 62a_100000104429_200000210301 [0,1,0,0,0,0|1,1,0]=3 1956 B11R1.265 COc1c(ccnc1SC)N 62a_200000210301_100000104429 [0,1,0,0,0,0|1,1,0]=3 1957 B11R1.265 COc1c(ccnc1SC)O 62a_200000210301_100000104430 [0,1,0,0,0,0|1,1,0]=3 1958 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_100000104429_200025704644 [0,1,0,0,0,0|1,1,0]=3 1959 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_200025704644_100000104429 [0,1,0,0,0,0|1,1,0]=3 1960 B11R1.265 COc1c(ccnc1S[13CH3])O 62a_200025704644_100000104430 [0,1,0,0,0,0|1,1,0]=3 1961 B11R1.265 COc1c(cncc1C#N)O 271570a_203496583355_100016142170 [0,1,0,0,0,0|3,0,0]=4 1962 B11R1.265 COc1c(cncc1C=O)O 271570a_203496583355_100015834815 [0,1,0,0,0,0|3,0,0]=4 1963 B11R1.265 COc1c(cncc1SC)N 62a_100012359933_200000210301 [0,1,0,0,0,0|1,1,0]=3 1964 B11R1.265 COc1c(cncc1SC)N 62a_200000210301_100012359933 [0,1,0,0,0,0|1,1,0]=3 1965 B11R1.265 COc1c(cncc1S[13CH3])N 62a_100012359933_200025704644 [0,1,0,0,0,0|1,1,0]=3 1966 B11R1.265 COc1c(cncc1S[13CH3])N 62a_200025704644_100012359933 [0,1,0,0,0,0|1,1,0]=3 1967 B11R1.265 COc1c(ncnc1SC)N 62a_100011998528_200000210301 [0,1,0,0,0,0|2,1,0]=4 1968 B11R1.265 COc1c(ncnc1SC)N 62a_200000210301_100011998528 [0,1,0,0,0,0|2,1,0]=4 1969 B11R1.265 COc1c(ncnc1S[13CH3])N 62a_100011998528_200025704644 [0,1,0,0,0,0|2,1,0]=4 1970 B11R1.265 COc1c(ncnc1S[13CH3])N 62a_200025704644_100011998528 [0,1,0,0,0,0|2,1,0]=4 1971 B11R1.265 COc1cccc(c1C#N)Br 34a_100012180507_200000210301 [0,1,0,0,0,0|2,0,0]=3 1972 B11R1.265 COc1cccc(c1C#N)Br 7a_100012180507_200000210301 [0,1,0,0,0,0|2,0,0]=3 1973 B11R1.265 COc1cccc(c1C#N)C 34a_100000079363_200000210301 [0,1,0,0,0,0|2,0,0]=3 1974 B11R1.265 COc1cccc(c1C#N)C 7a_100000079363_200000210301 [0,1,0,0,0,0|2,0,0]=3 1975 B11R1.265 COc1cccc(c1C#N)Cl 34a_100000764475_200000210301 [0,1,0,0,0,0|2,0,0]=3 1976 B11R1.265 COc1cccc(c1C#N)Cl 7a_100000764475_200000210301 [0,1,0,0,0,0|2,0,0]=3 1977 B11R1.265 COc1cccc(c1C#N)F 34a_100000741147_200000210301 [0,1,0,0,0,0|2,0,0]=3 1978 B11R1.265 COc1cccc(c1C#N)F 7a_100000741147_200000210301 [0,1,0,0,0,0|2,0,0]=3 1979 B11R1.265 COc1cccc(c1C#N)O 271570a_203496583355_100012356440 [0,1,0,0,0,0|2,0,0]=3 1980 B11R1.265 COc1cccc(c1C=O)O 271570a_203496583355_100009814803 [0,1,0,0,0,0|2,0,0]=3 1981 B11R1.265 COc1cccc(c1CO)C 34a_200009874777_200000210301 [0,1,0,0,0,0|2,0,0]=3 1982 B11R1.265 COc1cccc(c1CO)C 7a_200009874777_200000210301 [0,1,0,0,0,0|2,0,0]=3 1983 B11R1.265 COc1cccc(c1N[13CH3])Br 34a_100000708083_200025704644 [0,1,0,0,0,0|1,0,0]=2 1984 B11R1.265 COc1cccc(c1N[13CH3])C 2230a_100000758225_200025704644 [0,1,0,0,0,0|1,0,0]=2 1985 B11R1.265 COc1cccc(c1N[13CH3])C 34a_100000758225_200025704644 [0,1,0,0,0,0|1,0,0]=2 1986 B11R1.265 COc1cccc(c1N[13CH3])Cl 34a_100011309317_200025704644 [0,1,0,0,0,0|1,0,0]=2 1987 B11R1.265 COc1cccc(c1N[13CH3])F 34a_100000686744_200025704644 [0,1,0,0,0,0|1,0,0]=2 1988 B11R1.265 COc1cccc(c1N[13CH3])O 34a_100012022766_200025704644 [0,1,0,0,0,0|1,0,0]=2 1989 B11R1.265 COc1cccc(c1OC)Br 34a_100000686866_200000210301 [0,1,0,0,0,0|0,0,0]=1 1990 B11R1.265 COc1cccc(c1OC)Br 34a_100010234590_200000210301 [0,1,0,0,0,0|0,0,0]=1 1991 B11R1.265 COc1cccc(c1OC)C 34a_100011219253_200000210301 [0,1,0,0,0,0|0,0,0]=1 1992 B11R1.265 COc1cccc(c1OC)C 7a_100011219253_200000210301 [0,1,0,0,0,0|0,0,0]=1 1993 B11R1.265 COc1cccc(c1OC)Cl 34a_100009851661_200000210301 [0,1,0,0,0,0|0,0,0]=1 1994 B11R1.265 COc1cccc(c1OC)Cl 34a_200009886253_200000210301 [0,1,0,0,0,0|0,0,0]=1 1995 B11R1.265 COc1cccc(c1OC)Cl 7a_100009851661_200000210301 [0,1,0,0,0,0|0,0,0]=1 1996 B11R1.265 COc1cccc(c1OC)Cl 7a_200009886253_200000210301 [0,1,0,0,0,0|0,0,0]=1 1997 B11R1.265 COc1cccc(c1OC)F 34a_100000036725_200000210301 [0,1,0,0,0,0|0,0,0]=1 1998 B11R1.265 COc1cccc(c1OC)F 7a_100000036725_200000210301 [0,1,0,0,0,0|0,0,0]=1 1999 B11R1.265 COc1cccc(c1OC)N 34a_100000123586_200000210301 [0,1,0,0,0,0|0,0,0]=1 2000 B11R1.265 COc1cccc(c1OC)O 271570a_203496583355_100009815961 [0,1,0,0,0,0|0,0,0]=1 2001 B11R1.265 COc1cccc(c1O[13CH3])Br 34a_100000686866_200025704644 [0,1,0,0,0,0|0,0,0]=1 2002 B11R1.265 COc1cccc(c1O[13CH3])C 34a_100011219253_200025704644 [0,1,0,0,0,0|0,0,0]=1 2003 B11R1.265 COc1cccc(c1O[13CH3])C 7a_100011219253_200025704644 [0,1,0,0,0,0|0,0,0]=1 2004 B11R1.265 COc1cccc(c1O[13CH3])Cl 34a_100009851661_200025704644 [0,1,0,0,0,0|0,0,0]=1 2005 B11R1.265 COc1cccc(c1O[13CH3])Cl 7a_100009851661_200025704644 [0,1,0,0,0,0|0,0,0]=1 2006 B11R1.265 COc1cccc(c1O[13CH3])F 34a_100000036725_200025704644 [0,1,0,0,0,0|0,0,0]=1 2007 B11R1.265 COc1cccc(c1O[13CH3])F 7a_100000036725_200025704644 [0,1,0,0,0,0|0,0,0]=1 2008 B11R1.265 COc1cccc(c1O[13CH3])N 34a_100000123586_200025704644 [0,1,0,0,0,0|0,0,0]=1 2009 B11R1.265 COc1cccc(c1SC)Br 62a_100010131421_200000210301 [0,1,0,0,0,0|0,1,0]=2 2010 B11R1.265 COc1cccc(c1SC)Br 62a_200000210301_100010131421 [0,1,0,0,0,0|0,1,0]=2 2011 B11R1.265 COc1cccc(c1SC)C 34a_200000099257_200000210301 [0,1,0,0,0,0|0,1,0]=2 2012 B11R1.265 COc1cccc(c1SC)C 62a_100010191535_200000210301 [0,1,0,0,0,0|0,1,0]=2 2013 B11R1.265 COc1cccc(c1SC)C 62a_200000210301_100010191535 [0,1,0,0,0,0|0,1,0]=2 2014 B11R1.265 COc1cccc(c1SC)C 7a_200000099257_200000210301 [0,1,0,0,0,0|0,1,0]=2 2015 B11R1.265 COc1cccc(c1SC)F 62a_100000703912_200000210301 [0,1,0,0,0,0|0,1,0]=2 2016 B11R1.265 COc1cccc(c1SC)F 62a_200000210301_100000703912 [0,1,0,0,0,0|0,1,0]=2 2017 B11R1.265 COc1cccc(c1SC)N 62a_100000703447_200000210301 [0,1,0,0,0,0|0,1,0]=2 2018 B11R1.265 COc1cccc(c1SC)N 62a_200000210301_100000703447 [0,1,0,0,0,0|0,1,0]=2 2019 B11R1.265 COc1cccc(c1SC)O 62a_200000210301_100010202623 [0,1,0,0,0,0|0,1,0]=2 2020 B11R1.265 COc1cccc(c1S[13CH3])Br 62a_100010131421_200025704644 [0,1,0,0,0,0|0,1,0]=2 2021 B11R1.265 COc1cccc(c1S[13CH3])Br 62a_200025704644_100010131421 [0,1,0,0,0,0|0,1,0]=2 2022 B11R1.265 COc1cccc(c1S[13CH3])C 62a_100010191535_200025704644 [0,1,0,0,0,0|0,1,0]=2 2023 B11R1.265 COc1cccc(c1S[13CH3])C 62a_200025704644_100010191535 [0,1,0,0,0,0|0,1,0]=2 2024 B11R1.265 COc1cccc(c1S[13CH3])F 62a_100000703912_200025704644 [0,1,0,0,0,0|0,1,0]=2 2025 B11R1.265 COc1cccc(c1S[13CH3])F 62a_200025704644_100000703912 [0,1,0,0,0,0|0,1,0]=2 2026 B11R1.265 COc1cccc(c1S[13CH3])N 62a_100000703447_200025704644 [0,1,0,0,0,0|0,1,0]=2 2027 B11R1.265 COc1cccc(c1S[13CH3])N 62a_200025704644_100000703447 [0,1,0,0,0,0|0,1,0]=2 2028 B11R1.265 COc1cccc(c1S[13CH3])O 62a_200025704644_100010202623 [0,1,0,0,0,0|0,1,0]=2 2029 B11R1.265 COc1ccnc(c1C#N)O 271570a_203496583355_100000047147 [0,1,0,0,0,0|3,0,0]=4 2030 B11R1.265 COc1ccnc(c1C=O)O 271570a_203496583355_100009860067 [0,1,0,0,0,0|3,0,0]=4 2031 B11R1.265 COc1ccnc(c1OC)Cl 34a_100000104430_200000210301 [0,1,0,0,0,0|1,0,0]=2 2032 B11R1.265 COc1ccnc(c1SC)Cl 62a_100010154655_200000210301 [0,1,0,0,0,0|1,1,0]=3 2033 B11R1.265 COc1ccnc(c1SC)Cl 62a_200000210301_100010154655 [0,1,0,0,0,0|1,1,0]=3 2034 B11R1.265 COc1ccnc(c1S[13CH3])Cl 62a_100010154655_200025704644 [0,1,0,0,0,0|1,1,0]=3 2035 B11R1.265 COc1ccnc(c1S[13CH3])Cl 62a_200025704644_100010154655 [0,1,0,0,0,0|1,1,0]=3 2036 B11R1.265 COc1cn[nH]c(=O)c1SC 62a_200000210301_100000020519 [0,1,0,0,0,0|2,1,0]=4 2037 B11R1.265 COc1cn[nH]c(=O)c1S[13CH3] 62a_200025704644_100000020519 [0,1,0,0,0,0|2,1,0]=4 2038 B11R1.265 COc1nccc(c1C#N)O 271570a_203496583355_200009870389 [0,1,0,0,0,0|3,0,0]=4 2039 B11R1.265 COc1nccc(c1C=O)O 271570a_203496583355_100010160771 [0,1,0,0,0,0|3,0,0]=4 2040 B11R1.265 COc1nccc(c1SC)C 62a_100012353928_200000210301 [0,1,0,0,0,0|1,1,0]=3 2041 B11R1.265 COc1nccc(c1SC)C 62a_200000210301_100012353928 [0,1,0,0,0,0|1,1,0]=3 2042 B11R1.265 COc1nccc(c1SC)N 62a_100010243811_200000210301 [0,1,0,0,0,0|1,1,0]=3 2043 B11R1.265 COc1nccc(c1SC)N 62a_200000210301_100010243811 [0,1,0,0,0,0|1,1,0]=3 2044 B11R1.265 COc1nccc(c1S[13CH3])C 62a_100012353928_200025704644 [0,1,0,0,0,0|1,1,0]=3 2045 B11R1.265 COc1nccc(c1S[13CH3])C 62a_200025704644_100012353928 [0,1,0,0,0,0|1,1,0]=3 2046 B11R1.265 COc1nccc(c1S[13CH3])N 62a_100010243811_200025704644 [0,1,0,0,0,0|1,1,0]=3 2047 B11R1.265 COc1nccc(c1S[13CH3])N 62a_200025704644_100010243811 [0,1,0,0,0,0|1,1,0]=3 2048 B11R1.265 COc1ncnc(c1OC)O 271570a_203496583355_100012964862 [0,1,0,0,0,0|2,0,0]=3 2049 B11R1.265 COc1ncnc(c1SC)C 62a_100010110394_200000210301 [0,1,0,0,0,0|2,1,0]=4 2050 B11R1.265 COc1ncnc(c1SC)C 62a_200000210301_100010110394 [0,1,0,0,0,0|2,1,0]=4 2051 B11R1.265 COc1ncnc(c1S[13CH3])C 62a_100010110394_200025704644 [0,1,0,0,0,0|2,1,0]=4 2052 B11R1.265 COc1ncnc(c1S[13CH3])C 62a_200025704644_100010110394 [0,1,0,0,0,0|2,1,0]=4 2053 B11R1.265 CSc1c(cccc1C#N)Br 62a_100000703783_200000210301 [0,1,0,0,0,0|2,1,0]=4 2054 B11R1.265 CSc1c(cccc1C#N)Br 62a_200000210301_100000703783 [0,1,0,0,0,0|2,1,0]=4 2055 B11R1.265 CSc1c(cccc1C#N)C 62a_200000210301_100011934862 [0,1,0,0,0,0|2,1,0]=4 2056 B11R1.265 CSc1c(cccc1C#N)Cl 62a_200000210301_100010134094 [0,1,0,0,0,0|2,1,0]=4 2057 B11R1.265 CSc1c(cccc1C#N)F 62a_200000210301_100011219237 [0,1,0,0,0,0|2,1,0]=4 2058 B11R1.265 CSc1c(cccc1C#N)N 62a_200000210301_100009877206 [0,1,0,0,0,0|2,1,0]=4 2059 B11R1.265 CSc1c(cccc1C#N)O 62a_200000210301_100009818990 [0,1,0,0,0,0|2,1,0]=4 2060 B11R1.265 CSc1c(cccc1C=O)C 62a_100012186367_200000210301 [0,1,0,0,0,0|2,1,0]=4 2061 B11R1.265 CSc1c(cccc1C=O)C 62a_200000210301_100012186367 [0,1,0,0,0,0|2,1,0]=4 2062 B11R1.265 CSc1c(cccc1C=O)F 62a_100011934749_200000210301 [0,1,0,0,0,0|2,1,0]=4 2063 B11R1.265 CSc1c(cccc1C=O)F 62a_200000210301_100011934749 [0,1,0,0,0,0|2,1,0]=4 2064 B11R1.265 CSc1c(cccc1C=O)O 62a_100009816417_200000210301 [0,1,0,0,0,0|2,1,0]=4 2065 B11R1.265 CSc1c(cccc1C=O)O 62a_200000210301_100009816417 [0,1,0,0,0,0|2,1,0]=4 2066 B11R1.265 CSc1c(cccc1CN)F 62a_100020638964_200000210301 [0,1,0,0,0,0|2,1,0]=4 2067 B11R1.265 CSc1c(cccc1CN)F 62a_200000210301_100020638964 [0,1,0,0,0,0|2,1,0]=4 2068 B11R1.265 CSc1c(cccc1CO)Br 62a_100010146604_200000210301 [0,1,0,0,0,0|2,1,0]=4 2069 B11R1.265 CSc1c(cccc1CO)Br 62a_200000210301_100010146604 [0,1,0,0,0,0|2,1,0]=4 2070 B11R1.265 CSc1c(cccc1CO)C 62a_100011659289_200000210301 [0,1,0,0,0,0|2,1,0]=4 2071 B11R1.265 CSc1c(cccc1CO)C 62a_200000210301_100011659289 [0,1,0,0,0,0|2,1,0]=4 2072 B11R1.265 CSc1c(cccc1CO)F 62a_100012351117_200000210301 [0,1,0,0,0,0|2,1,0]=4 2073 B11R1.265 CSc1c(cccc1CO)F 62a_200000210301_100012351117 [0,1,0,0,0,0|2,1,0]=4 2074 B11R1.265 CSc1c(cccc1O[13CH3])C 34a_200000099257_200025704644 [0,1,0,0,0,0|0,1,0]=2 2075 B11R1.265 CSc1c(cccc1O[13CH3])C 7a_200000099257_200025704644 [0,1,0,0,0,0|0,1,0]=2 2076 B11R1.265 CSc1c(cccc1S[13CH3])F 62a_200010709249_200025704644 [0,1,0,0,0,0|0,2,0]=3 2077 B11R1.265 CSc1c(cccc1S[13CH3])F 62a_200025704644_200010709249 [0,1,0,0,0,0|0,2,0]=3 2078 B11R1.265 CSc1cccc(c1C#N)Br 62a_100010071968_200000210301 [0,1,0,0,0,0|2,1,0]=4 2079 B11R1.265 CSc1cccc(c1C#N)Br 62a_200000210301_100010071968 [0,1,0,0,0,0|2,1,0]=4 2080 B11R1.265 CSc1cccc(c1C#N)C 62a_200000210301_100009819585 [0,1,0,0,0,0|2,1,0]=4 2081 B11R1.265 CSc1cccc(c1C#N)Cl 62a_200000210301_200000049503 [0,1,0,0,0,0|2,1,0]=4 2082 B11R1.265 CSc1cccc(c1C#N)F 62a_200000210301_100000039607 [0,1,0,0,0,0|2,1,0]=4 2083 B11R1.265 CSc1cccc(c1C#N)N 62a_200000210301_100011935054 [0,1,0,0,0,0|2,1,0]=4 2084 B11R1.265 CSc1cccc(c1C#N)O 62a_200000210301_100012180507 [0,1,0,0,0,0|2,1,0]=4 2085 B11R1.265 CSc1cccc(c1C=O)C 62a_100000041122_200000210301 [0,1,0,0,0,0|2,1,0]=4 2086 B11R1.265 CSc1cccc(c1C=O)C 62a_200000210301_100000041122 [0,1,0,0,0,0|2,1,0]=4 2087 B11R1.265 CSc1cccc(c1C=O)Cl 62a_100010147682_200000210301 [0,1,0,0,0,0|2,1,0]=4 2088 B11R1.265 CSc1cccc(c1C=O)Cl 62a_200000210301_100010147682 [0,1,0,0,0,0|2,1,0]=4 2089 B11R1.265 CSc1cccc(c1C=O)F 62a_100000210083_200000210301 [0,1,0,0,0,0|2,1,0]=4 2090 B11R1.265 CSc1cccc(c1C=O)F 62a_200000210301_100000210083 [0,1,0,0,0,0|2,1,0]=4 2091 B11R1.265 CSc1cccc(c1C=O)N 62a_100010232536_200000210301 [0,1,0,0,0,0|2,1,0]=4 2092 B11R1.265 CSc1cccc(c1C=O)O 62a_200000210301_100010193437 [0,1,0,0,0,0|2,1,0]=4 2093 B11R1.265 CSc1cccc(c1CN)F 62a_100012349121_200000210301 [0,1,0,0,0,0|2,1,0]=4 2094 B11R1.265 CSc1cccc(c1CN)F 62a_200000210301_100012349121 [0,1,0,0,0,0|2,1,0]=4 2095 B11R1.265 CSc1cccc(c1CO)F 62a_100012355691_200000210301 [0,1,0,0,0,0|2,1,0]=4 2096 B11R1.265 CSc1cccc(c1CO)F 62a_200000210301_100012355691 [0,1,0,0,0,0|2,1,0]=4 2097 B11R1.265 CSc1cccc(c1CO)N 62a_100000747656_200000210301 [0,1,0,0,0,0|2,1,0]=4 2098 B11R1.265 CSc1cccc(c1CO)N 62a_200000210301_100000747656 [0,1,0,0,0,0|2,1,0]=4 2099 B11R1.265 CSc1cccc(c1NN)F 62a_100016994982_200000210301 [0,1,0,0,0,0|2,1,0]=4 2100 B11R1.265 CSc1cccc(c1NN)F 62a_200000210301_100016994982 [0,1,0,0,0,0|2,1,0]=4 2101 B11R1.265 CSc1cccc(c1SC)F 62a_200000210301_200010709249 [0,1,0,0,0,0|0,2,0]=3 2102 B11R1.265 CSc1cccc(c1SC)F 62a_200010709249_200000210301 [0,1,0,0,0,0|0,2,0]=3 2103 B11R1.265 Cc1cccc(c1C#N)N[13CH3] 2230a_100000763283_200025704644 [0,1,0,0,0,0|3,0,0]=4 2104 B11R1.265 Cc1cccc(c1C#N)N[13CH3] 34a_100000763283_200025704644 [0,1,0,0,0,0|3,0,0]=4 2105 B11R1.265 Cc1cccc(c1C#N)N[13CH3] 7a_100000763283_200025704644 [0,1,0,0,0,0|3,0,0]=4 2106 B11R1.265 Cc1cccc(c1C#N)O[13CH3] 34a_100000079363_200025704644 [0,1,0,0,0,0|2,0,0]=3 2107 B11R1.265 Cc1cccc(c1C#N)O[13CH3] 7a_100000079363_200025704644 [0,1,0,0,0,0|2,0,0]=3 2108 B11R1.265 Cc1cccc(c1C#N)S[13CH3] 62a_200025704644_100009819585 [0,1,0,0,0,0|2,1,0]=4 2109 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_100000041122_200025704644 [0,1,0,0,0,0|2,1,0]=4 2110 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_200025704644_100000041122 [0,1,0,0,0,0|2,1,0]=4 2111 B11R1.265 Cc1cccc(c1CO)O[13CH3] 34a_200009874777_200025704644 [0,1,0,0,0,0|2,0,0]=3 2112 B11R1.265 Cc1cccc(c1CO)O[13CH3] 7a_200009874777_200025704644 [0,1,0,0,0,0|2,0,0]=3 2113 B11R1.265 Cc1cccc(c1N[13CH3])C#N 2230a_100011826843_200025704644 [0,1,0,0,0,0|3,0,0]=4 2114 B11R1.265 Cc1cccc(c1N[13CH3])CO 34a_100011215590_200025704644 [0,1,0,0,0,0|3,0,0]=4 2115 B11R1.265 Cc1cccc(c1O[13CH3])C#N 34a_100011659161_200025704644 [0,1,0,0,0,0|2,0,0]=3 2116 B11R1.265 Cc1cccc(c1O[13CH3])C#N 7a_100011659161_200025704644 [0,1,0,0,0,0|2,0,0]=3 2117 B11R1.265 Cc1cccc(c1O[13CH3])CN 34a_100020639391_200025704644 [0,1,0,0,0,0|2,0,0]=3 2118 B11R1.265 Cc1cccc(c1S[13CH3])C#N 62a_200025704644_100011934862 [0,1,0,0,0,0|2,1,0]=4 2119 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_100012186367_200025704644 [0,1,0,0,0,0|2,1,0]=4 2120 B11R1.265 Cc1cccc(c1S[13CH3])C=O 62a_200025704644_100012186367 [0,1,0,0,0,0|2,1,0]=4 2121 B11R1.265 Cc1cccc(c1S[13CH3])CO 62a_100011659289_200025704644 [0,1,0,0,0,0|2,1,0]=4 2122 B11R1.265 Cc1cccc(c1S[13CH3])CO 62a_200025704644_100011659289 [0,1,0,0,0,0|2,1,0]=4 2123 B11R1.265 [13CH3]Nc1c(cccc1C#N)F 2230a_100011219409_200025704644 [0,1,0,0,0,0|3,0,0]=4 2124 B11R1.265 [13CH3]Nc1c(cccc1C#N)F 34a_100011219409_200025704644 [0,1,0,0,0,0|3,0,0]=4 2125 B11R1.265 [13CH3]Nc1c(cccc1CO)Cl 34a_100012182729_200025704644 [0,1,0,0,0,0|3,0,0]=4 2126 B11R1.265 [13CH3]Nc1c(cccc1CO)F 34a_100000692437_200025704644 [0,1,0,0,0,0|3,0,0]=4 2127 B11R1.265 [13CH3]Nc1cccc(c1C#N)Br 7a_100011935054_200025704644 [0,1,0,0,0,0|3,0,0]=4 2128 B11R1.265 [13CH3]Nc1cccc(c1C#N)Cl 2230a_100000236969_200025704644 [0,1,0,0,0,0|3,0,0]=4 2129 B11R1.265 [13CH3]Nc1cccc(c1C#N)Cl 7a_100000236969_200025704644 [0,1,0,0,0,0|3,0,0]=4 2130 B11R1.265 [13CH3]Nc1cccc(c1C#N)F 2230a_100000236971_200025704644 [0,1,0,0,0,0|3,0,0]=4 2131 B11R1.265 [13CH3]Nc1cccc(c1C#N)F 34a_100000236971_200025704644 [0,1,0,0,0,0|3,0,0]=4 2132 B11R1.265 [13CH3]Nc1cccc(c1C#N)F 7a_100000236971_200025704644 [0,1,0,0,0,0|3,0,0]=4 2133 B11R1.265 [13CH3]Nc1cccc(c1CO)Br 34a_100000747656_200025704644 [0,1,0,0,0,0|3,0,0]=4 2134 B11R1.265 [13CH3]Nc1cccc(c1CO)Cl 34a_100011916388_200025704644 [0,1,0,0,0,0|3,0,0]=4 2135 B11R1.265 [13CH3]Nc1cccc(c1CO)F 34a_100011846719_200025704644 [0,1,0,0,0,0|3,0,0]=4 2136 B11R1.265 [13CH3]Oc1c(cccc1C#N)Br 34a_100009817103_200025704644 [0,1,0,0,0,0|2,0,0]=3 2137 B11R1.265 [13CH3]Oc1c(cccc1C#N)Cl 34a_100009866432_200025704644 [0,1,0,0,0,0|2,0,0]=3 2138 B11R1.265 [13CH3]Oc1c(cccc1C#N)Cl 7a_100009866432_200025704644 [0,1,0,0,0,0|2,0,0]=3 2139 B11R1.265 [13CH3]Oc1c(cccc1C#N)F 34a_100000117915_200025704644 [0,1,0,0,0,0|2,0,0]=3 2140 B11R1.265 [13CH3]Oc1c(cccc1C#N)F 7a_100000117915_200025704644 [0,1,0,0,0,0|2,0,0]=3 2141 B11R1.265 [13CH3]Oc1c(cccc1CO)F 34a_100011997349_200025704644 [0,1,0,0,0,0|2,0,0]=3 2142 B11R1.265 [13CH3]Oc1c(cccc1CO)F 7a_100011997349_200025704644 [0,1,0,0,0,0|2,0,0]=3 2143 B11R1.265 [13CH3]Oc1cccc(c1C#N)Br 34a_100012180507_200025704644 [0,1,0,0,0,0|2,0,0]=3 2144 B11R1.265 [13CH3]Oc1cccc(c1C#N)Br 7a_100012180507_200025704644 [0,1,0,0,0,0|2,0,0]=3 2145 B11R1.265 [13CH3]Oc1cccc(c1C#N)Cl 34a_100000764475_200025704644 [0,1,0,0,0,0|2,0,0]=3 2146 B11R1.265 [13CH3]Oc1cccc(c1C#N)Cl 7a_100000764475_200025704644 [0,1,0,0,0,0|2,0,0]=3 2147 B11R1.265 [13CH3]Oc1cccc(c1C#N)F 34a_100000741147_200025704644 [0,1,0,0,0,0|2,0,0]=3 2148 B11R1.265 [13CH3]Oc1cccc(c1C#N)F 7a_100000741147_200025704644 [0,1,0,0,0,0|2,0,0]=3 2149 B11R1.265 [13CH3]Sc1c(cccc1C#N)Br 62a_100000703783_200025704644 [0,1,0,0,0,0|2,1,0]=4 2150 B11R1.265 [13CH3]Sc1c(cccc1C#N)Br 62a_200025704644_100000703783 [0,1,0,0,0,0|2,1,0]=4 2151 B11R1.265 [13CH3]Sc1c(cccc1C#N)Cl 62a_200025704644_100010134094 [0,1,0,0,0,0|2,1,0]=4 2152 B11R1.265 [13CH3]Sc1c(cccc1C#N)F 62a_200025704644_100011219237 [0,1,0,0,0,0|2,1,0]=4 2153 B11R1.265 [13CH3]Sc1c(cccc1C#N)N 62a_200025704644_100009877206 [0,1,0,0,0,0|2,1,0]=4 2154 B11R1.265 [13CH3]Sc1c(cccc1C#N)O 62a_200025704644_100009818990 [0,1,0,0,0,0|2,1,0]=4 2155 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_100011934749_200025704644 [0,1,0,0,0,0|2,1,0]=4 2156 B11R1.265 [13CH3]Sc1c(cccc1C=O)F 62a_200025704644_100011934749 [0,1,0,0,0,0|2,1,0]=4 2157 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_100009816417_200025704644 [0,1,0,0,0,0|2,1,0]=4 2158 B11R1.265 [13CH3]Sc1c(cccc1C=O)O 62a_200025704644_100009816417 [0,1,0,0,0,0|2,1,0]=4 2159 B11R1.265 [13CH3]Sc1c(cccc1CN)F 62a_100020638964_200025704644 [0,1,0,0,0,0|2,1,0]=4 2160 B11R1.265 [13CH3]Sc1c(cccc1CN)F 62a_200025704644_100020638964 [0,1,0,0,0,0|2,1,0]=4 2161 B11R1.265 [13CH3]Sc1c(cccc1CO)Br 62a_100010146604_200025704644 [0,1,0,0,0,0|2,1,0]=4 2162 B11R1.265 [13CH3]Sc1c(cccc1CO)Br 62a_200025704644_100010146604 [0,1,0,0,0,0|2,1,0]=4 2163 B11R1.265 [13CH3]Sc1c(cccc1CO)F 62a_100012351117_200025704644 [0,1,0,0,0,0|2,1,0]=4 2164 B11R1.265 [13CH3]Sc1c(cccc1CO)F 62a_200025704644_100012351117 [0,1,0,0,0,0|2,1,0]=4 2165 B11R1.265 [13CH3]Sc1cccc(c1C#N)Br 62a_100010071968_200025704644 [0,1,0,0,0,0|2,1,0]=4 2166 B11R1.265 [13CH3]Sc1cccc(c1C#N)Br 62a_200025704644_100010071968 [0,1,0,0,0,0|2,1,0]=4 2167 B11R1.265 [13CH3]Sc1cccc(c1C#N)Cl 62a_200025704644_200000049503 [0,1,0,0,0,0|2,1,0]=4 2168 B11R1.265 [13CH3]Sc1cccc(c1C#N)F 62a_200025704644_100000039607 [0,1,0,0,0,0|2,1,0]=4 2169 B11R1.265 [13CH3]Sc1cccc(c1C#N)N 62a_200025704644_100011935054 [0,1,0,0,0,0|2,1,0]=4 2170 B11R1.265 [13CH3]Sc1cccc(c1C#N)O 62a_200025704644_100012180507 [0,1,0,0,0,0|2,1,0]=4 2171 B11R1.265 [13CH3]Sc1cccc(c1C=O)Cl 62a_100010147682_200025704644 [0,1,0,0,0,0|2,1,0]=4 2172 B11R1.265 [13CH3]Sc1cccc(c1C=O)Cl 62a_200025704644_100010147682 [0,1,0,0,0,0|2,1,0]=4 2173 B11R1.265 [13CH3]Sc1cccc(c1C=O)F 62a_100000210083_200025704644 [0,1,0,0,0,0|2,1,0]=4 2174 B11R1.265 [13CH3]Sc1cccc(c1C=O)F 62a_200025704644_100000210083 [0,1,0,0,0,0|2,1,0]=4 2175 B11R1.265 [13CH3]Sc1cccc(c1C=O)N 62a_100010232536_200025704644 [0,1,0,0,0,0|2,1,0]=4 2176 B11R1.265 [13CH3]Sc1cccc(c1C=O)O 62a_200025704644_100010193437 [0,1,0,0,0,0|2,1,0]=4 2177 B11R1.265 [13CH3]Sc1cccc(c1CN)F 62a_100012349121_200025704644 [0,1,0,0,0,0|2,1,0]=4 2178 B11R1.265 [13CH3]Sc1cccc(c1CN)F 62a_200025704644_100012349121 [0,1,0,0,0,0|2,1,0]=4 2179 B11R1.265 [13CH3]Sc1cccc(c1CO)F 62a_100012355691_200025704644 [0,1,0,0,0,0|2,1,0]=4 2180 B11R1.265 [13CH3]Sc1cccc(c1CO)F 62a_200025704644_100012355691 [0,1,0,0,0,0|2,1,0]=4 2181 B11R1.265 [13CH3]Sc1cccc(c1CO)N 62a_100000747656_200025704644 [0,1,0,0,0,0|2,1,0]=4 2182 B11R1.265 [13CH3]Sc1cccc(c1CO)N 62a_200025704644_100000747656 [0,1,0,0,0,0|2,1,0]=4 2183 B11R1.265 [13CH3]Sc1cccc(c1NN)F 62a_100016994982_200025704644 [0,1,0,0,0,0|2,1,0]=4 2184 B11R1.265 [13CH3]Sc1cccc(c1NN)F 62a_200025704644_100016994982 [0,1,0,0,0,0|2,1,0]=4 2185 B9R0.45 CCC/C=C/C=C/COC 34a_100016294078_200000210301 [0,0,1,0,0,0|1,0,2]=4 2186 B9R0.45 CCC/C=C/C=C/CO[13CH3] 34a_100016294078_200025704644 [0,0,1,0,0,0|1,0,2]=4 2187 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,0,0,1,0,0|2,0,1]=4 2188 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [0,0,0,0,1,0|2,1,0]=4 2189 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [0,0,0,0,1,0|2,1,0]=4 2190 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [0,0,0,0,1,0|2,1,0]=4 2191 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [0,0,0,0,1,0|2,1,0]=4 2192 B9R1.14 CCc1cscc1SC 62a_100011068457_200000210301 [0,0,0,0,1,0|2,1,0]=4 2193 B9R1.14 CCc1cscc1SC 62a_200000210301_100011068457 [0,0,0,0,1,0|2,1,0]=4 2194 B9R1.14 CCc1cscc1S[13CH3] 62a_100011068457_200025704644 [0,0,0,0,1,0|2,1,0]=4 2195 B9R1.14 CCc1cscc1S[13CH3] 62a_200025704644_100011068457 [0,0,0,0,1,0|2,1,0]=4 2196 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [0,0,0,0,1,0|3,0,0]=4 2197 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [0,0,0,0,1,0|3,0,0]=4 2198 B9R1.14 COc1[nH]ncc1SC 62a_100010349828_200000210301 [0,0,0,0,1,0|2,1,0]=4 2199 B9R1.14 COc1[nH]ncc1S[13CH3] 62a_100010349828_200025704644 [0,0,0,0,1,0|2,1,0]=4 2200 B9R1.14 COc1n[nH]cc1SC 62a_200000210301_100010982843 [0,0,0,0,1,0|2,1,0]=4 2201 B9R1.14 COc1n[nH]cc1S[13CH3] 62a_200025704644_100010982843 [0,0,0,0,1,0|2,1,0]=4 2202 B9R1.14 CSc1ccsc1SC 62a_200000210301_200010341309 [0,0,0,0,1,0|1,2,0]=4 2203 B9R1.14 CSc1ccsc1SC 62a_200010341309_200000210301 [0,0,0,0,1,0|1,2,0]=4 2204 B9R1.14 CSc1sccc1S[13CH3] 62a_200010341309_200025704644 [0,0,0,0,1,0|1,2,0]=4 2205 B9R1.14 CSc1sccc1S[13CH3] 62a_200025704644_200010341309 [0,0,0,0,1,0|1,2,0]=4 2206 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|1,0,1]=4 2207 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 2208 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 2209 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 2210 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 2211 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 2212 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|1,0,0]=3 2213 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [2,0,0,0,0,0|2,0,0]=4 2214 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [2,0,0,0,0,0|2,0,0]=4 2215 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|0,1,0]=3 2216 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|0,1,0]=3 2217 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,1,0]=4 2218 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,1,0]=4 2219 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|1,1,0]=4 2220 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|1,1,0]=4 2221 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|1,1,0]=4 2222 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|1,1,0]=4 2223 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 2224 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 2225 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 2226 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 2227 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 2228 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|1,0,0]=3 2229 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [2,0,0,0,0,0|2,0,0]=4 2230 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [2,0,0,0,0,0|2,0,0]=4 2231 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|0,1,0]=3 2232 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|0,1,0]=3 2233 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,1,0]=4 2234 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,1,0]=4 2235 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|1,1,0]=4 2236 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|1,1,0]=4 2237 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|1,1,0]=4 2238 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|1,1,0]=4 2239 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [2,0,0,0,0,0|1,0,0]=3 2240 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [2,0,0,0,0,0|0,0,0]=2 2241 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [2,0,0,0,0,0|1,0,0]=3 2242 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [2,0,0,0,0,0|1,0,0]=3 2243 B8R1.5 Cc1ccnnc1O 271570a_203496583355_100000089043 [2,0,0,0,0,0|2,0,0]=4 2244 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [2,0,0,0,0,0|1,0,0]=3 2245 B8R1.5 Cc1cncnc1O 271570a_203496583355_100011998708 [2,0,0,0,0,0|2,0,0]=4 2246 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [2,0,0,0,0,0|1,0,0]=3 2247 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [2,0,0,0,0,0|2,0,0]=4 2248 B8R1.5 Cc1ncncc1O 271570a_203496583355_100009819671 [2,0,0,0,0,0|2,0,0]=4 2249 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [2,0,0,0,0,0|1,0,0]=3 2250 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [2,0,0,0,0,0|2,0,0]=4 2251 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [2,0,0,0,0,0|2,0,0]=4 2252 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [2,0,0,0,0,0|2,0,0]=4 2253 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [2,0,0,0,0,0|2,0,0]=4 2254 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [2,0,0,0,0,0|1,0,1]=4 2255 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [2,0,0,0,0,0|1,0,1]=4 2256 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [2,0,0,0,0,0|1,1,0]=4 2257 B8R1.5 Oc1ccccc1Br 271570a_203496583355_100000695589 [2,0,0,0,0,0|1,0,0]=3 2258 B8R1.5 Oc1ccccc1Cl 271570a_203496583355_100000764095 [2,0,0,0,0,0|1,0,0]=3 2259 B8R1.5 Oc1ccccc1F 271570a_203496583355_100011215700 [2,0,0,0,0,0|1,0,0]=3 2260 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [2,0,0,0,0,0|0,0,0]=2 2261 B8R1.5 Oc1cccnc1Br 271570a_203496583355_100010202626 [2,0,0,0,0,0|2,0,0]=4 2262 B8R1.5 Oc1cccnc1Cl 271570a_203496583355_100000036424 [2,0,0,0,0,0|2,0,0]=4 2263 B8R1.5 Oc1cccnc1F 271570a_203496583355_100009816115 [2,0,0,0,0,0|2,0,0]=4 2264 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [2,0,0,0,0,0|1,0,0]=3 2265 B8R1.5 Oc1ccncc1Br 271570a_203496583355_100000726257 [2,0,0,0,0,0|2,0,0]=4 2266 B8R1.5 Oc1ccncc1Cl 271570a_203496583355_100000708259 [2,0,0,0,0,0|2,0,0]=4 2267 B8R1.5 Oc1ccncc1F 271570a_203496583355_100000047030 [2,0,0,0,0,0|2,0,0]=4 2268 B8R1.5 Oc1ccncc1O 271570a_203496583355_100009817591 [2,0,0,0,0,0|1,0,0]=3 2269 B8R1.5 Oc1cnccc1Br 271570a_203496583355_100010138639 [2,0,0,0,0,0|2,0,0]=4 2270 B8R1.5 Oc1cnccc1Cl 271570a_203496583355_100009995489 [2,0,0,0,0,0|2,0,0]=4 2271 B8R1.5 Oc1cnccc1F 271570a_203496583355_100009820683 [2,0,0,0,0,0|2,0,0]=4 2272 B8R1.5 Oc1cncnc1O 271570a_203496583355_100000751107 [2,0,0,0,0,0|2,0,0]=4 2273 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [2,0,0,0,0,0|2,0,0]=4 2274 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [2,0,0,0,0,0|2,0,0]=4 2275 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [2,0,0,0,0,0|2,0,0]=4 2276 B8R1.5 [O-][n+]1ccccc1O 271570a_203496583355_200000042595 [2,0,0,0,0,0|1,0,1]=4 2277 B10R0.91 CC/C=C\CC(=O)C=COC 1458a_100016268678_100103147603 [0,1,1,0,0,0|1,0,1]=4 2278 B10R1.2 C=Cc1cccc(c1C)Br 271570a_100011290941_100012353703 [1,1,0,0,0,0|1,0,1]=4 2279 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [1,1,0,0,0,0|1,0,1]=4 2280 B10R1.2 C=Cc1cccc(c1C)Cl 271570a_100011290941_100000726075 [1,1,0,0,0,0|1,0,1]=4 2281 B10R1.2 C=Cc1cccc(c1C)F 271570a_100011290941_100011216893 [1,1,0,0,0,0|1,0,1]=4 2282 B10R1.2 C=Cc1cccc(c1C)N 271570a_100011290941_100000761887 [1,1,0,0,0,0|1,0,1]=4 2283 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [1,1,0,0,0,0|1,0,1]=4 2284 B10R1.2 C=Cc1cccc(c1O)Br 271570a_100011290941_100010084509 [1,1,0,0,0,0|1,0,1]=4 2285 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [1,1,0,0,0,0|1,0,1]=4 2286 B10R1.2 C=Cc1cccc(c1O)Cl 271570a_100011290941_100010202889 [1,1,0,0,0,0|1,0,1]=4 2287 B10R1.2 C=Cc1cccc(c1O)F 271570a_100011290941_100009813666 [1,1,0,0,0,0|1,0,1]=4 2288 B10R1.2 C=Cc1cccc(c1O)N 271570a_100011290941_100011934915 [1,1,0,0,0,0|1,0,1]=4 2289 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [1,1,0,0,0,0|1,0,1]=4 2290 B10R1.2 CCc1cccc(c1O)C 271570a_203496583355_100000036235 [1,1,0,0,0,0|1,0,0]=3 2291 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [1,1,0,0,0,0|1,0,0]=3 2292 B10R1.2 CNc1cccc(c1Br)C 34a_100000684715_200000210301 [1,1,0,0,0,0|2,0,0]=4 2293 B10R1.2 CNc1cccc(c1Br)Cl 34a_100000687072_200000210301 [1,1,0,0,0,0|2,0,0]=4 2294 B10R1.2 CNc1cccc(c1Br)F 34a_100011934729_200000210301 [1,1,0,0,0,0|2,0,0]=4 2295 B10R1.2 CNc1cccc(c1Br)O 34a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2296 B10R1.2 CNc1cccc(c1Br)O 7a_100012183704_200000210301 [1,1,0,0,0,0|2,0,0]=4 2297 B10R1.2 CNc1cccc(c1C)Br 34a_100000750434_200000210301 [1,1,0,0,0,0|1,0,0]=3 2298 B10R1.2 CNc1cccc(c1C)C 2230a_100000210026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2299 B10R1.2 CNc1cccc(c1C)C 34a_100000210026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2300 B10R1.2 CNc1cccc(c1C)C 7a_100000210026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2301 B10R1.2 CNc1cccc(c1C)Cl 2230a_100000210441_200000210301 [1,1,0,0,0,0|1,0,0]=3 2302 B10R1.2 CNc1cccc(c1C)Cl 34a_100000210441_200000210301 [1,1,0,0,0,0|1,0,0]=3 2303 B10R1.2 CNc1cccc(c1C)Cl 7a_100000210441_200000210301 [1,1,0,0,0,0|1,0,0]=3 2304 B10R1.2 CNc1cccc(c1C)F 34a_100000745574_200000210301 [1,1,0,0,0,0|1,0,0]=3 2305 B10R1.2 CNc1cccc(c1C)F 7a_100000745574_200000210301 [1,1,0,0,0,0|1,0,0]=3 2306 B10R1.2 CNc1cccc(c1C)I 34a_100000761887_200000210301 [1,1,0,0,0,0|1,0,0]=3 2307 B10R1.2 CNc1cccc(c1C)O 34a_100011216573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2308 B10R1.2 CNc1cccc(c1C)O 7a_100011216573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2309 B10R1.2 CNc1cccc(c1Cl)Br 34a_100000687075_200000210301 [1,1,0,0,0,0|2,0,0]=4 2310 B10R1.2 CNc1cccc(c1Cl)C 34a_100000765562_200000210301 [1,1,0,0,0,0|2,0,0]=4 2311 B10R1.2 CNc1cccc(c1Cl)C 7a_100000765562_200000210301 [1,1,0,0,0,0|2,0,0]=4 2312 B10R1.2 CNc1cccc(c1Cl)Cl 34a_100000185733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2313 B10R1.2 CNc1cccc(c1Cl)F 34a_100000692321_200000210301 [1,1,0,0,0,0|2,0,0]=4 2314 B10R1.2 CNc1cccc(c1Cl)O 34a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2315 B10R1.2 CNc1cccc(c1Cl)O 7a_100012002038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2316 B10R1.2 CNc1cccc(c1F)Br 2230a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2317 B10R1.2 CNc1cccc(c1F)Br 34a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2318 B10R1.2 CNc1cccc(c1F)C 2230a_100000697159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2319 B10R1.2 CNc1cccc(c1F)C 34a_100000697159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2320 B10R1.2 CNc1cccc(c1F)C 7a_100000697159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2321 B10R1.2 CNc1cccc(c1F)Cl 2230a_100000199060_200000210301 [1,1,0,0,0,0|2,0,0]=4 2322 B10R1.2 CNc1cccc(c1F)Cl 34a_100000199060_200000210301 [1,1,0,0,0,0|2,0,0]=4 2323 B10R1.2 CNc1cccc(c1F)F 34a_100000743855_200000210301 [1,1,0,0,0,0|2,0,0]=4 2324 B10R1.2 CNc1cccc(c1I)Br 34a_100020590159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2325 B10R1.2 CNc1cccc(c1I)C 34a_100000761888_200000210301 [1,1,0,0,0,0|2,0,0]=4 2326 B10R1.2 CNc1cccc(c1I)Cl 34a_100000049713_200000210301 [1,1,0,0,0,0|2,0,0]=4 2327 B10R1.2 CNc1cccc(c1I)F 34a_100000690935_200000210301 [1,1,0,0,0,0|2,0,0]=4 2328 B10R1.2 CNc1cccc(c1N)O 271570a_203496583355_100000695761 [1,1,0,0,0,0|2,0,0]=4 2329 B10R1.2 CNc1cccc(c1O)Br 34a_100011934915_200000210301 [1,1,0,0,0,0|1,0,0]=3 2330 B10R1.2 CNc1cccc(c1O)C 34a_100000756359_200000210301 [1,1,0,0,0,0|1,0,0]=3 2331 B10R1.2 CNc1cccc(c1O)Cl 34a_100000754742_200000210301 [1,1,0,0,0,0|1,0,0]=3 2332 B10R1.2 CNc1cccc(c1O)F 34a_100011934987_200000210301 [1,1,0,0,0,0|1,0,0]=3 2333 B10R1.2 CNc1ccnc(c1C)F 27a_100102657272_100010006593 [1,1,0,0,0,0|2,0,0]=4 2334 B10R1.2 CNc1nccc(c1C)F 27a_100102657272_100009846374 [1,1,0,0,0,0|2,0,0]=4 2335 B10R1.2 COc1cccc(c1Br)Br 34a_100010187966_200000210301 [1,1,0,0,0,0|1,0,0]=3 2336 B10R1.2 COc1cccc(c1Br)Br 7a_100010187966_200000210301 [1,1,0,0,0,0|1,0,0]=3 2337 B10R1.2 COc1cccc(c1Br)C 34a_100000686692_200000210301 [1,1,0,0,0,0|1,0,0]=3 2338 B10R1.2 COc1cccc(c1Br)C 7a_100000686692_200000210301 [1,1,0,0,0,0|1,0,0]=3 2339 B10R1.2 COc1cccc(c1Br)Cl 34a_100012348804_200000210301 [1,1,0,0,0,0|1,0,0]=3 2340 B10R1.2 COc1cccc(c1Br)Cl 7a_100012348804_200000210301 [1,1,0,0,0,0|1,0,0]=3 2341 B10R1.2 COc1cccc(c1Br)F 34a_100009820682_200000210301 [1,1,0,0,0,0|1,0,0]=3 2342 B10R1.2 COc1cccc(c1Br)F 7a_100009820682_200000210301 [1,1,0,0,0,0|1,0,0]=3 2343 B10R1.2 COc1cccc(c1Br)I 34a_100010187914_200000210301 [1,1,0,0,0,0|1,0,0]=3 2344 B10R1.2 COc1cccc(c1Br)I 7a_100010187914_200000210301 [1,1,0,0,0,0|1,0,0]=3 2345 B10R1.2 COc1cccc(c1Br)N 34a_100012183704_200000210301 [1,1,0,0,0,0|1,0,0]=3 2346 B10R1.2 COc1cccc(c1Br)N 7a_100012183704_200000210301 [1,1,0,0,0,0|1,0,0]=3 2347 B10R1.2 COc1cccc(c1C)Br 34a_100012002258_200000210301 [1,1,0,0,0,0|0,0,0]=2 2348 B10R1.2 COc1cccc(c1C)Br 7a_100012002258_200000210301 [1,1,0,0,0,0|0,0,0]=2 2349 B10R1.2 COc1cccc(c1C)C 34a_100000185855_200000210301 [1,1,0,0,0,0|0,0,0]=2 2350 B10R1.2 COc1cccc(c1C)C 7a_100000185855_200000210301 [1,1,0,0,0,0|0,0,0]=2 2351 B10R1.2 COc1cccc(c1C)Cl 34a_100011265684_200000210301 [1,1,0,0,0,0|0,0,0]=2 2352 B10R1.2 COc1cccc(c1C)Cl 7a_100011265684_200000210301 [1,1,0,0,0,0|0,0,0]=2 2353 B10R1.2 COc1cccc(c1C)F 34a_100011217231_200000210301 [1,1,0,0,0,0|0,0,0]=2 2354 B10R1.2 COc1cccc(c1C)F 7a_100011217231_200000210301 [1,1,0,0,0,0|0,0,0]=2 2355 B10R1.2 COc1cccc(c1C)N 34a_100011216573_200000210301 [1,1,0,0,0,0|0,0,0]=2 2356 B10R1.2 COc1cccc(c1C)N 7a_100011216573_200000210301 [1,1,0,0,0,0|0,0,0]=2 2357 B10R1.2 COc1cccc(c1C)O 271570a_203496583355_100010002647 [1,1,0,0,0,0|0,0,0]=2 2358 B10R1.2 COc1cccc(c1Cl)Br 34a_100010187913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2359 B10R1.2 COc1cccc(c1Cl)Br 7a_100010187913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2360 B10R1.2 COc1cccc(c1Cl)C 34a_100000695629_200000210301 [1,1,0,0,0,0|1,0,0]=3 2361 B10R1.2 COc1cccc(c1Cl)C 7a_100000695629_200000210301 [1,1,0,0,0,0|1,0,0]=3 2362 B10R1.2 COc1cccc(c1Cl)Cl 34a_100000211076_200000210301 [1,1,0,0,0,0|1,0,0]=3 2363 B10R1.2 COc1cccc(c1Cl)Cl 7a_100000211076_200000210301 [1,1,0,0,0,0|1,0,0]=3 2364 B10R1.2 COc1cccc(c1Cl)F 34a_100000087408_200000210301 [1,1,0,0,0,0|1,0,0]=3 2365 B10R1.2 COc1cccc(c1Cl)F 7a_100000087408_200000210301 [1,1,0,0,0,0|1,0,0]=3 2366 B10R1.2 COc1cccc(c1Cl)I 34a_100000049636_200000210301 [1,1,0,0,0,0|1,0,0]=3 2367 B10R1.2 COc1cccc(c1Cl)I 7a_100000049636_200000210301 [1,1,0,0,0,0|1,0,0]=3 2368 B10R1.2 COc1cccc(c1Cl)N 34a_100012002038_200000210301 [1,1,0,0,0,0|1,0,0]=3 2369 B10R1.2 COc1cccc(c1Cl)N 7a_100012002038_200000210301 [1,1,0,0,0,0|1,0,0]=3 2370 B10R1.2 COc1cccc(c1Cl)O 271570a_203496583355_100010147677 [1,1,0,0,0,0|1,0,0]=3 2371 B10R1.2 COc1cccc(c1F)Br 34a_100009817021_200000210301 [1,1,0,0,0,0|1,0,0]=3 2372 B10R1.2 COc1cccc(c1F)Br 7a_100009817021_200000210301 [1,1,0,0,0,0|1,0,0]=3 2373 B10R1.2 COc1cccc(c1F)C 34a_100000751311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2374 B10R1.2 COc1cccc(c1F)C 7a_100000751311_200000210301 [1,1,0,0,0,0|1,0,0]=3 2375 B10R1.2 COc1cccc(c1F)Cl 34a_100000687438_200000210301 [1,1,0,0,0,0|1,0,0]=3 2376 B10R1.2 COc1cccc(c1F)Cl 7a_100000687438_200000210301 [1,1,0,0,0,0|1,0,0]=3 2377 B10R1.2 COc1cccc(c1F)F 34a_100000751161_200000210301 [1,1,0,0,0,0|1,0,0]=3 2378 B10R1.2 COc1cccc(c1F)F 7a_100000751161_200000210301 [1,1,0,0,0,0|1,0,0]=3 2379 B10R1.2 COc1cccc(c1F)O 271570a_203496583355_100010185846 [1,1,0,0,0,0|1,0,0]=3 2380 B10R1.2 COc1cccc(c1I)Br 34a_100010187912_200000210301 [1,1,0,0,0,0|1,0,0]=3 2381 B10R1.2 COc1cccc(c1I)Br 7a_100010187912_200000210301 [1,1,0,0,0,0|1,0,0]=3 2382 B10R1.2 COc1cccc(c1I)C 34a_100010083724_200000210301 [1,1,0,0,0,0|1,0,0]=3 2383 B10R1.2 COc1cccc(c1I)C 7a_100010083724_200000210301 [1,1,0,0,0,0|1,0,0]=3 2384 B10R1.2 COc1cccc(c1I)Cl 34a_100000050174_200000210301 [1,1,0,0,0,0|1,0,0]=3 2385 B10R1.2 COc1cccc(c1I)Cl 7a_100000050174_200000210301 [1,1,0,0,0,0|1,0,0]=3 2386 B10R1.2 COc1cccc(c1I)F 34a_100000690913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2387 B10R1.2 COc1cccc(c1I)F 7a_100000690913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2388 B10R1.2 COc1cccc(c1N)Br 34a_100011934926_200000210301 [1,1,0,0,0,0|1,0,0]=3 2389 B10R1.2 COc1cccc(c1N)Br 7a_100011934926_200000210301 [1,1,0,0,0,0|1,0,0]=3 2390 B10R1.2 COc1cccc(c1N)C 34a_100000743429_200000210301 [1,1,0,0,0,0|1,0,0]=3 2391 B10R1.2 COc1cccc(c1N)C 7a_100000743429_200000210301 [1,1,0,0,0,0|1,0,0]=3 2392 B10R1.2 COc1cccc(c1N)Cl 34a_100012022510_200000210301 [1,1,0,0,0,0|1,0,0]=3 2393 B10R1.2 COc1cccc(c1N)Cl 7a_100012022510_200000210301 [1,1,0,0,0,0|1,0,0]=3 2394 B10R1.2 COc1cccc(c1N)F 34a_100020591140_200000210301 [1,1,0,0,0,0|1,0,0]=3 2395 B10R1.2 COc1cccc(c1N)F 7a_100020591140_200000210301 [1,1,0,0,0,0|1,0,0]=3 2396 B10R1.2 COc1cccc(c1N)I 34a_200000049512_200000210301 [1,1,0,0,0,0|1,0,0]=3 2397 B10R1.2 COc1cccc(c1N)I 7a_200000049512_200000210301 [1,1,0,0,0,0|1,0,0]=3 2398 B10R1.2 COc1cccc(c1N)N 34a_100000033209_200000210301 [1,1,0,0,0,0|1,0,0]=3 2399 B10R1.2 COc1cccc(c1N)O 271570a_203496583355_100000708083 [1,1,0,0,0,0|1,0,0]=3 2400 B10R1.2 COc1cccc(c1O)Br 271570a_203496583355_100010131421 [1,1,0,0,0,0|0,0,0]=2 2401 B10R1.2 COc1cccc(c1O)F 271570a_203496583355_100000041735 [1,1,0,0,0,0|0,0,0]=2 2402 B10R1.2 COc1cccc(c1O)N 271570a_203496583355_100000703447 [1,1,0,0,0,0|0,0,0]=2 2403 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100000686866 [1,1,0,0,0,0|0,0,0]=2 2404 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100010202623 [1,1,0,0,0,0|0,0,0]=2 2405 B10R1.2 COc1cccn(c1=O)C 34a_100000117616_200000210301 [1,1,0,0,0,0|1,0,1]=4 2406 B10R1.2 COc1cccn(c1=O)C 7a_100000117616_200000210301 [1,1,0,0,0,0|1,0,1]=4 2407 B10R1.2 COc1ccnc(c1Br)Cl 34a_100010136240_200000210301 [1,1,0,0,0,0|2,0,0]=4 2408 B10R1.2 COc1ccnc(c1C)O 271570a_203496583355_100010067686 [1,1,0,0,0,0|1,0,0]=3 2409 B10R1.2 COc1ccnc(c1Cl)Cl 34a_100009860235_200000210301 [1,1,0,0,0,0|2,0,0]=4 2410 B10R1.2 COc1ccnc(c1F)Br 34a_100009876375_200000210301 [1,1,0,0,0,0|2,0,0]=4 2411 B10R1.2 COc1ccnc(c1F)Cl 34a_100009856406_200000210301 [1,1,0,0,0,0|2,0,0]=4 2412 B10R1.2 COc1ccnc(c1F)O 271570a_203496583355_200010136267 [1,1,0,0,0,0|2,0,0]=4 2413 B10R1.2 COc1ccnc(c1N)Cl 34a_100000128729_200000210301 [1,1,0,0,0,0|2,0,0]=4 2414 B10R1.2 COc1ccnc(c1N)O 271570a_203496583355_100000100113 [1,1,0,0,0,0|2,0,0]=4 2415 B10R1.2 COc1cn[nH]c(=O)c1O 271570a_203496583355_100000020519 [1,1,0,0,0,0|2,0,0]=4 2416 B10R1.2 COc1cncc(c1C)O 271570a_203496583355_100010136163 [1,1,0,0,0,0|1,0,0]=3 2417 B10R1.2 COc1nccc(c1Br)C 34a_100012000493_200000210301 [1,1,0,0,0,0|2,0,0]=4 2418 B10R1.2 COc1nccc(c1C)Br 34a_100009858498_200000210301 [1,1,0,0,0,0|1,0,0]=3 2419 B10R1.2 COc1nccc(c1C)O 271570a_203496583355_100010068544 [1,1,0,0,0,0|1,0,0]=3 2420 B10R1.2 COc1nccc(c1Cl)N 34a_200000093555_200000210301 [1,1,0,0,0,0|2,0,0]=4 2421 B10R1.2 COc1nccc(c1F)O 271570a_203496583355_100009885657 [1,1,0,0,0,0|2,0,0]=4 2422 B10R1.2 COc1nccc(c1O)C 271570a_203496583355_100012353928 [1,1,0,0,0,0|1,0,0]=3 2423 B10R1.2 COc1nccc(c1O)N 271570a_203496583355_100010243811 [1,1,0,0,0,0|1,0,0]=3 2424 B10R1.2 COc1ncnc(c1C)C 34a_100000697798_200000210301 [1,1,0,0,0,0|2,0,0]=4 2425 B10R1.2 COc1ncnc(c1C)Cl 34a_100011912821_200000210301 [1,1,0,0,0,0|2,0,0]=4 2426 B10R1.2 COc1ncnc(c1C)O 271570a_203496583355_200011912725 [1,1,0,0,0,0|2,0,0]=4 2427 B10R1.2 COc1ncnc(c1O)C 271570a_203496583355_100010110394 [1,1,0,0,0,0|2,0,0]=4 2428 B10R1.2 CSc1cccc(=O)n1C 62a_100000726605_200000210301 [1,1,0,0,0,0|1,1,0]=4 2429 B10R1.2 CSc1cccc(=O)n1C 62a_200000210301_100000726605 [1,1,0,0,0,0|1,1,0]=4 2430 B10R1.2 CSc1cccc(c1Br)Br 62a_100010175083_200000210301 [1,1,0,0,0,0|1,1,0]=4 2431 B10R1.2 CSc1cccc(c1Br)Br 62a_200000210301_100010175083 [1,1,0,0,0,0|1,1,0]=4 2432 B10R1.2 CSc1cccc(c1Br)C 62a_100012362457_200000210301 [1,1,0,0,0,0|1,1,0]=4 2433 B10R1.2 CSc1cccc(c1Br)C 62a_200000210301_100012362457 [1,1,0,0,0,0|1,1,0]=4 2434 B10R1.2 CSc1cccc(c1Br)Cl 62a_100014021842_200000210301 [1,1,0,0,0,0|1,1,0]=4 2435 B10R1.2 CSc1cccc(c1Br)Cl 62a_200000210301_100014021842 [1,1,0,0,0,0|1,1,0]=4 2436 B10R1.2 CSc1cccc(c1Br)F 62a_100010202630_200000210301 [1,1,0,0,0,0|1,1,0]=4 2437 B10R1.2 CSc1cccc(c1Br)F 62a_200000210301_100010202630 [1,1,0,0,0,0|1,1,0]=4 2438 B10R1.2 CSc1cccc(c1Br)O 62a_100010187914_200000210301 [1,1,0,0,0,0|1,1,0]=4 2439 B10R1.2 CSc1cccc(c1Br)O 62a_200000210301_100010187914 [1,1,0,0,0,0|1,1,0]=4 2440 B10R1.2 CSc1cccc(c1C)Br 62a_100012353703_200000210301 [1,1,0,0,0,0|0,1,0]=3 2441 B10R1.2 CSc1cccc(c1C)Br 62a_200000210301_100012353703 [1,1,0,0,0,0|0,1,0]=3 2442 B10R1.2 CSc1cccc(c1C)C 62a_100011214922_200000210301 [1,1,0,0,0,0|0,1,0]=3 2443 B10R1.2 CSc1cccc(c1C)C 62a_200000210301_100011214922 [1,1,0,0,0,0|0,1,0]=3 2444 B10R1.2 CSc1cccc(c1C)Cl 62a_100000726075_200000210301 [1,1,0,0,0,0|0,1,0]=3 2445 B10R1.2 CSc1cccc(c1C)Cl 62a_200000210301_100000726075 [1,1,0,0,0,0|0,1,0]=3 2446 B10R1.2 CSc1cccc(c1C)F 62a_100011216893_200000210301 [1,1,0,0,0,0|0,1,0]=3 2447 B10R1.2 CSc1cccc(c1C)F 62a_200000210301_100011216893 [1,1,0,0,0,0|0,1,0]=3 2448 B10R1.2 CSc1cccc(c1C)N 62a_100000761887_200000210301 [1,1,0,0,0,0|0,1,0]=3 2449 B10R1.2 CSc1cccc(c1C)N 62a_200000210301_100000761887 [1,1,0,0,0,0|0,1,0]=3 2450 B10R1.2 CSc1cccc(c1C)O 62a_100012002258_200000210301 [1,1,0,0,0,0|0,1,0]=3 2451 B10R1.2 CSc1cccc(c1C)O 62a_200000210301_100012002258 [1,1,0,0,0,0|0,1,0]=3 2452 B10R1.2 CSc1cccc(c1Cl)Br 62a_100010142854_200000210301 [1,1,0,0,0,0|1,1,0]=4 2453 B10R1.2 CSc1cccc(c1Cl)Br 62a_200000210301_100010142854 [1,1,0,0,0,0|1,1,0]=4 2454 B10R1.2 CSc1cccc(c1Cl)C 62a_200000210301_200012352035 [1,1,0,0,0,0|1,1,0]=4 2455 B10R1.2 CSc1cccc(c1Cl)C 62a_200012352035_200000210301 [1,1,0,0,0,0|1,1,0]=4 2456 B10R1.2 CSc1cccc(c1Cl)Cl 62a_100011215384_200000210301 [1,1,0,0,0,0|1,1,0]=4 2457 B10R1.2 CSc1cccc(c1Cl)Cl 62a_200000210301_100011215384 [1,1,0,0,0,0|1,1,0]=4 2458 B10R1.2 CSc1cccc(c1Cl)F 62a_200000210301_200010234923 [1,1,0,0,0,0|1,1,0]=4 2459 B10R1.2 CSc1cccc(c1Cl)F 62a_200010234923_200000210301 [1,1,0,0,0,0|1,1,0]=4 2460 B10R1.2 CSc1cccc(c1Cl)O 62a_200000210301_100000049636 [1,1,0,0,0,0|1,1,0]=4 2461 B10R1.2 CSc1cccc(c1F)Br 62a_100000702267_200000210301 [1,1,0,0,0,0|1,1,0]=4 2462 B10R1.2 CSc1cccc(c1F)Br 62a_200000210301_100000702267 [1,1,0,0,0,0|1,1,0]=4 2463 B10R1.2 CSc1cccc(c1F)C 62a_100000717567_200000210301 [1,1,0,0,0,0|1,1,0]=4 2464 B10R1.2 CSc1cccc(c1F)C 62a_200000210301_100000717567 [1,1,0,0,0,0|1,1,0]=4 2465 B10R1.2 CSc1cccc(c1F)Cl 62a_100011217346_200000210301 [1,1,0,0,0,0|1,1,0]=4 2466 B10R1.2 CSc1cccc(c1F)Cl 62a_200000210301_100011217346 [1,1,0,0,0,0|1,1,0]=4 2467 B10R1.2 CSc1cccc(c1F)F 62a_100000694657_200000210301 [1,1,0,0,0,0|1,1,0]=4 2468 B10R1.2 CSc1cccc(c1F)F 62a_200000210301_100000694657 [1,1,0,0,0,0|1,1,0]=4 2469 B10R1.2 CSc1cccc(c1F)N 62a_100011935091_200000210301 [1,1,0,0,0,0|1,1,0]=4 2470 B10R1.2 CSc1cccc(c1F)N 62a_200000210301_100011935091 [1,1,0,0,0,0|1,1,0]=4 2471 B10R1.2 CSc1cccc(c1F)O 62a_100009817021_200000210301 [1,1,0,0,0,0|1,1,0]=4 2472 B10R1.2 CSc1cccc(c1F)O 62a_200000210301_100009817021 [1,1,0,0,0,0|1,1,0]=4 2473 B10R1.2 CSc1cccc(c1N)Br 62a_100010146558_200000210301 [1,1,0,0,0,0|1,1,0]=4 2474 B10R1.2 CSc1cccc(c1N)Br 62a_200000210301_100010146558 [1,1,0,0,0,0|1,1,0]=4 2475 B10R1.2 CSc1cccc(c1N)C 62a_100011834072_200000210301 [1,1,0,0,0,0|1,1,0]=4 2476 B10R1.2 CSc1cccc(c1N)C 62a_200000210301_100011834072 [1,1,0,0,0,0|1,1,0]=4 2477 B10R1.2 CSc1cccc(c1N)Cl 62a_100010190421_200000210301 [1,1,0,0,0,0|1,1,0]=4 2478 B10R1.2 CSc1cccc(c1N)Cl 62a_200000210301_100010190421 [1,1,0,0,0,0|1,1,0]=4 2479 B10R1.2 CSc1cccc(c1N)F 62a_100000042321_200000210301 [1,1,0,0,0,0|1,1,0]=4 2480 B10R1.2 CSc1cccc(c1N)F 62a_200000210301_100000042321 [1,1,0,0,0,0|1,1,0]=4 2481 B10R1.2 CSc1cccc(c1N)N 62a_100015191791_200000210301 [1,1,0,0,0,0|1,1,0]=4 2482 B10R1.2 CSc1cccc(c1N)O 62a_200000210301_100011934926 [1,1,0,0,0,0|1,1,0]=4 2483 B10R1.2 CSc1cccc(c1O)Br 62a_100010084509_200000210301 [1,1,0,0,0,0|0,1,0]=3 2484 B10R1.2 CSc1cccc(c1O)Br 62a_200000210301_100010084509 [1,1,0,0,0,0|0,1,0]=3 2485 B10R1.2 CSc1cccc(c1O)C 62a_100009817157_200000210301 [1,1,0,0,0,0|0,1,0]=3 2486 B10R1.2 CSc1cccc(c1O)C 62a_200000210301_100009817157 [1,1,0,0,0,0|0,1,0]=3 2487 B10R1.2 CSc1cccc(c1O)Cl 62a_100010202889_200000210301 [1,1,0,0,0,0|0,1,0]=3 2488 B10R1.2 CSc1cccc(c1O)Cl 62a_200000210301_100010202889 [1,1,0,0,0,0|0,1,0]=3 2489 B10R1.2 CSc1cccc(c1O)F 62a_100009813666_200000210301 [1,1,0,0,0,0|0,1,0]=3 2490 B10R1.2 CSc1cccc(c1O)F 62a_200000210301_100009813666 [1,1,0,0,0,0|0,1,0]=3 2491 B10R1.2 CSc1cccc(c1O)N 62a_100011934915_200000210301 [1,1,0,0,0,0|0,1,0]=3 2492 B10R1.2 CSc1cccc(c1O)N 62a_200000210301_100010084371 [1,1,0,0,0,0|0,1,0]=3 2493 B10R1.2 CSc1cccc(c1O)O 62a_200000210301_100009815950 [1,1,0,0,0,0|0,1,0]=3 2494 B10R1.2 CSc1ccnc(c1C)C 62a_100009846815_200000210301 [1,1,0,0,0,0|1,1,0]=4 2495 B10R1.2 CSc1ccnc(c1C)C 62a_200000210301_100009846815 [1,1,0,0,0,0|1,1,0]=4 2496 B10R1.2 CSc1ccnc(c1C)Cl 62a_100000047055_200000210301 [1,1,0,0,0,0|1,1,0]=4 2497 B10R1.2 CSc1ccnc(c1C)Cl 62a_200000210301_100000047055 [1,1,0,0,0,0|1,1,0]=4 2498 B10R1.2 CSc1ccnc(c1C)F 62a_100010006593_200000210301 [1,1,0,0,0,0|1,1,0]=4 2499 B10R1.2 CSc1ccnc(c1C)F 62a_200000210301_100010006593 [1,1,0,0,0,0|1,1,0]=4 2500 B10R1.2 CSc1ccnc(c1C)N 62a_100009865460_200000210301 [1,1,0,0,0,0|1,1,0]=4 2501 B10R1.2 CSc1ccnc(c1C)N 62a_200000210301_100009865460 [1,1,0,0,0,0|1,1,0]=4 2502 B10R1.2 CSc1ccnc(c1C)O 62a_100009858498_200000210301 [1,1,0,0,0,0|1,1,0]=4 2503 B10R1.2 CSc1ccnc(c1C)O 62a_200000210301_100009858498 [1,1,0,0,0,0|1,1,0]=4 2504 B10R1.2 CSc1ccnc(c1O)Cl 62a_200000210301_100010067911 [1,1,0,0,0,0|1,1,0]=4 2505 B10R1.2 CSc1cncc(c1C)Br 62a_100010109657_200000210301 [1,1,0,0,0,0|1,1,0]=4 2506 B10R1.2 CSc1cncc(c1C)Br 62a_200000210301_100010109657 [1,1,0,0,0,0|1,1,0]=4 2507 B10R1.2 CSc1cncc(c1C)C 62a_100009864703_200000210301 [1,1,0,0,0,0|1,1,0]=4 2508 B10R1.2 CSc1cncc(c1C)C 62a_200000210301_100009864703 [1,1,0,0,0,0|1,1,0]=4 2509 B10R1.2 CSc1cncc(c1C)F 62a_100009881546_200000210301 [1,1,0,0,0,0|1,1,0]=4 2510 B10R1.2 CSc1cncc(c1C)F 62a_200000210301_100009881546 [1,1,0,0,0,0|1,1,0]=4 2511 B10R1.2 CSc1cncc(c1C)N 62a_100011998293_200000210301 [1,1,0,0,0,0|1,1,0]=4 2512 B10R1.2 CSc1cncc(c1C)N 62a_200000210301_100011998293 [1,1,0,0,0,0|1,1,0]=4 2513 B10R1.2 CSc1cncc(c1O)N 62a_100000694263_200000210301 [1,1,0,0,0,0|1,1,0]=4 2514 B10R1.2 CSc1cncc(c1O)N 62a_200000210301_100000694263 [1,1,0,0,0,0|1,1,0]=4 2515 B10R1.2 CSc1nccc(c1C)C 62a_100009847204_200000210301 [1,1,0,0,0,0|1,1,0]=4 2516 B10R1.2 CSc1nccc(c1C)C 62a_200000210301_100009847204 [1,1,0,0,0,0|1,1,0]=4 2517 B10R1.2 CSc1nccc(c1C)F 62a_100009846374_200000210301 [1,1,0,0,0,0|1,1,0]=4 2518 B10R1.2 CSc1nccc(c1C)F 62a_200000210301_100009846374 [1,1,0,0,0,0|1,1,0]=4 2519 B10R1.2 CSc1nccc(c1C)N 62a_100000690622_200000210301 [1,1,0,0,0,0|1,1,0]=4 2520 B10R1.2 CSc1nccc(c1C)N 62a_200000210301_100000690622 [1,1,0,0,0,0|1,1,0]=4 2521 B10R1.2 CSc1nccc(c1O)C 62a_200000210301_100000696282 [1,1,0,0,0,0|1,1,0]=4 2522 B10R1.2 CSc1nccc(c1O)F 62a_200000210301_100009867227 [1,1,0,0,0,0|1,1,0]=4 2523 B10R1.2 CSc1nccc(c1O)N 62a_200000210301_100009844647 [1,1,0,0,0,0|1,1,0]=4 2524 B10R1.2 Cc1c(cccc1C#N)O 271570a_203496583355_100000721996 [1,1,0,0,0,0|2,0,0]=4 2525 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [1,1,0,0,0,0|2,0,0]=4 2526 B10R1.2 Cc1c(cccc1CN)O 271570a_203496583355_100000724210 [1,1,0,0,0,0|2,0,0]=4 2527 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [1,1,0,0,0,0|2,0,0]=4 2528 B10R1.2 Cc1c(cccc1N[13CH3])Br 34a_100000750434_200025704644 [1,1,0,0,0,0|1,0,0]=3 2529 B10R1.2 Cc1c(cccc1N[13CH3])Cl 2230a_100000210441_200025704644 [1,1,0,0,0,0|1,0,0]=3 2530 B10R1.2 Cc1c(cccc1N[13CH3])Cl 34a_100000210441_200025704644 [1,1,0,0,0,0|1,0,0]=3 2531 B10R1.2 Cc1c(cccc1N[13CH3])Cl 7a_100000210441_200025704644 [1,1,0,0,0,0|1,0,0]=3 2532 B10R1.2 Cc1c(cccc1N[13CH3])F 34a_100000745574_200025704644 [1,1,0,0,0,0|1,0,0]=3 2533 B10R1.2 Cc1c(cccc1N[13CH3])F 7a_100000745574_200025704644 [1,1,0,0,0,0|1,0,0]=3 2534 B10R1.2 Cc1c(cccc1N[13CH3])I 34a_100000761887_200025704644 [1,1,0,0,0,0|1,0,0]=3 2535 B10R1.2 Cc1c(cccc1N[13CH3])O 34a_100011216573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2536 B10R1.2 Cc1c(cccc1N[13CH3])O 7a_100011216573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2537 B10R1.2 Cc1c(cccc1O[13CH3])Br 34a_100012002258_200025704644 [1,1,0,0,0,0|0,0,0]=2 2538 B10R1.2 Cc1c(cccc1O[13CH3])Br 7a_100012002258_200025704644 [1,1,0,0,0,0|0,0,0]=2 2539 B10R1.2 Cc1c(cccc1O[13CH3])Cl 34a_100011265684_200025704644 [1,1,0,0,0,0|0,0,0]=2 2540 B10R1.2 Cc1c(cccc1O[13CH3])Cl 7a_100011265684_200025704644 [1,1,0,0,0,0|0,0,0]=2 2541 B10R1.2 Cc1c(cccc1O[13CH3])F 34a_100011217231_200025704644 [1,1,0,0,0,0|0,0,0]=2 2542 B10R1.2 Cc1c(cccc1O[13CH3])F 7a_100011217231_200025704644 [1,1,0,0,0,0|0,0,0]=2 2543 B10R1.2 Cc1c(cccc1O[13CH3])N 34a_100011216573_200025704644 [1,1,0,0,0,0|0,0,0]=2 2544 B10R1.2 Cc1c(cccc1O[13CH3])N 7a_100011216573_200025704644 [1,1,0,0,0,0|0,0,0]=2 2545 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_100012353703_200025704644 [1,1,0,0,0,0|0,1,0]=3 2546 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_200025704644_100012353703 [1,1,0,0,0,0|0,1,0]=3 2547 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_100000726075_200025704644 [1,1,0,0,0,0|0,1,0]=3 2548 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_200025704644_100000726075 [1,1,0,0,0,0|0,1,0]=3 2549 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_100011216893_200025704644 [1,1,0,0,0,0|0,1,0]=3 2550 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_200025704644_100011216893 [1,1,0,0,0,0|0,1,0]=3 2551 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_100000761887_200025704644 [1,1,0,0,0,0|0,1,0]=3 2552 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_200025704644_100000761887 [1,1,0,0,0,0|0,1,0]=3 2553 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_100012002258_200025704644 [1,1,0,0,0,0|0,1,0]=3 2554 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_200025704644_100012002258 [1,1,0,0,0,0|0,1,0]=3 2555 B10R1.2 Cc1c(ccnc1Cl)S[13CH3] 62a_100000047055_200025704644 [1,1,0,0,0,0|1,1,0]=4 2556 B10R1.2 Cc1c(ccnc1Cl)S[13CH3] 62a_200025704644_100000047055 [1,1,0,0,0,0|1,1,0]=4 2557 B10R1.2 Cc1c(ccnc1F)S[13CH3] 62a_100010006593_200025704644 [1,1,0,0,0,0|1,1,0]=4 2558 B10R1.2 Cc1c(ccnc1F)S[13CH3] 62a_200025704644_100010006593 [1,1,0,0,0,0|1,1,0]=4 2559 B10R1.2 Cc1c(ccnc1N)S[13CH3] 62a_100009865460_200025704644 [1,1,0,0,0,0|1,1,0]=4 2560 B10R1.2 Cc1c(ccnc1N)S[13CH3] 62a_200025704644_100009865460 [1,1,0,0,0,0|1,1,0]=4 2561 B10R1.2 Cc1c(ccnc1O)S[13CH3] 62a_100009858498_200025704644 [1,1,0,0,0,0|1,1,0]=4 2562 B10R1.2 Cc1c(ccnc1O)S[13CH3] 62a_200025704644_100009858498 [1,1,0,0,0,0|1,1,0]=4 2563 B10R1.2 Cc1c(ccnc1O[13CH3])Br 34a_100009858498_200025704644 [1,1,0,0,0,0|1,0,0]=3 2564 B10R1.2 Cc1c(ccnc1S[13CH3])F 62a_100009846374_200025704644 [1,1,0,0,0,0|1,1,0]=4 2565 B10R1.2 Cc1c(ccnc1S[13CH3])F 62a_200025704644_100009846374 [1,1,0,0,0,0|1,1,0]=4 2566 B10R1.2 Cc1c(ccnc1S[13CH3])N 62a_100000690622_200025704644 [1,1,0,0,0,0|1,1,0]=4 2567 B10R1.2 Cc1c(ccnc1S[13CH3])N 62a_200025704644_100000690622 [1,1,0,0,0,0|1,1,0]=4 2568 B10R1.2 Cc1c(cncc1S[13CH3])Br 62a_100010109657_200025704644 [1,1,0,0,0,0|1,1,0]=4 2569 B10R1.2 Cc1c(cncc1S[13CH3])Br 62a_200025704644_100010109657 [1,1,0,0,0,0|1,1,0]=4 2570 B10R1.2 Cc1c(cncc1S[13CH3])F 62a_100009881546_200025704644 [1,1,0,0,0,0|1,1,0]=4 2571 B10R1.2 Cc1c(cncc1S[13CH3])F 62a_200025704644_100009881546 [1,1,0,0,0,0|1,1,0]=4 2572 B10R1.2 Cc1c(cncc1S[13CH3])N 62a_100011998293_200025704644 [1,1,0,0,0,0|1,1,0]=4 2573 B10R1.2 Cc1c(cncc1S[13CH3])N 62a_200025704644_100011998293 [1,1,0,0,0,0|1,1,0]=4 2574 B10R1.2 Cc1c(ncnc1O[13CH3])Cl 34a_100011912821_200025704644 [1,1,0,0,0,0|2,0,0]=4 2575 B10R1.2 Cc1cccc(c1Br)N[13CH3] 34a_100000684715_200025704644 [1,1,0,0,0,0|2,0,0]=4 2576 B10R1.2 Cc1cccc(c1Br)O[13CH3] 34a_100000686692_200025704644 [1,1,0,0,0,0|1,0,0]=3 2577 B10R1.2 Cc1cccc(c1Br)O[13CH3] 7a_100000686692_200025704644 [1,1,0,0,0,0|1,0,0]=3 2578 B10R1.2 Cc1cccc(c1Br)S[13CH3] 62a_100012362457_200025704644 [1,1,0,0,0,0|1,1,0]=4 2579 B10R1.2 Cc1cccc(c1Br)S[13CH3] 62a_200025704644_100012362457 [1,1,0,0,0,0|1,1,0]=4 2580 B10R1.2 Cc1cccc(c1C)N[13CH3] 2230a_100000210026_200025704644 [1,1,0,0,0,0|1,0,0]=3 2581 B10R1.2 Cc1cccc(c1C)N[13CH3] 34a_100000210026_200025704644 [1,1,0,0,0,0|1,0,0]=3 2582 B10R1.2 Cc1cccc(c1C)N[13CH3] 7a_100000210026_200025704644 [1,1,0,0,0,0|1,0,0]=3 2583 B10R1.2 Cc1cccc(c1C)O[13CH3] 34a_100000185855_200025704644 [1,1,0,0,0,0|0,0,0]=2 2584 B10R1.2 Cc1cccc(c1C)O[13CH3] 7a_100000185855_200025704644 [1,1,0,0,0,0|0,0,0]=2 2585 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_100011214922_200025704644 [1,1,0,0,0,0|0,1,0]=3 2586 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_200025704644_100011214922 [1,1,0,0,0,0|0,1,0]=3 2587 B10R1.2 Cc1cccc(c1Cl)N[13CH3] 34a_100000765562_200025704644 [1,1,0,0,0,0|2,0,0]=4 2588 B10R1.2 Cc1cccc(c1Cl)N[13CH3] 7a_100000765562_200025704644 [1,1,0,0,0,0|2,0,0]=4 2589 B10R1.2 Cc1cccc(c1Cl)O[13CH3] 34a_100000695629_200025704644 [1,1,0,0,0,0|1,0,0]=3 2590 B10R1.2 Cc1cccc(c1Cl)O[13CH3] 7a_100000695629_200025704644 [1,1,0,0,0,0|1,0,0]=3 2591 B10R1.2 Cc1cccc(c1Cl)S[13CH3] 62a_200012352035_200025704644 [1,1,0,0,0,0|1,1,0]=4 2592 B10R1.2 Cc1cccc(c1Cl)S[13CH3] 62a_200025704644_200012352035 [1,1,0,0,0,0|1,1,0]=4 2593 B10R1.2 Cc1cccc(c1F)N[13CH3] 2230a_100000697159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2594 B10R1.2 Cc1cccc(c1F)N[13CH3] 34a_100000697159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2595 B10R1.2 Cc1cccc(c1F)N[13CH3] 7a_100000697159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2596 B10R1.2 Cc1cccc(c1F)O[13CH3] 34a_100000751311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2597 B10R1.2 Cc1cccc(c1F)O[13CH3] 7a_100000751311_200025704644 [1,1,0,0,0,0|1,0,0]=3 2598 B10R1.2 Cc1cccc(c1F)S[13CH3] 62a_100000717567_200025704644 [1,1,0,0,0,0|1,1,0]=4 2599 B10R1.2 Cc1cccc(c1F)S[13CH3] 62a_200025704644_100000717567 [1,1,0,0,0,0|1,1,0]=4 2600 B10R1.2 Cc1cccc(c1I)N[13CH3] 34a_100000761888_200025704644 [1,1,0,0,0,0|2,0,0]=4 2601 B10R1.2 Cc1cccc(c1I)O[13CH3] 34a_100010083724_200025704644 [1,1,0,0,0,0|1,0,0]=3 2602 B10R1.2 Cc1cccc(c1I)O[13CH3] 7a_100010083724_200025704644 [1,1,0,0,0,0|1,0,0]=3 2603 B10R1.2 Cc1cccc(c1N)O[13CH3] 34a_100000743429_200025704644 [1,1,0,0,0,0|1,0,0]=3 2604 B10R1.2 Cc1cccc(c1N)O[13CH3] 7a_100000743429_200025704644 [1,1,0,0,0,0|1,0,0]=3 2605 B10R1.2 Cc1cccc(c1N)S[13CH3] 62a_100011834072_200025704644 [1,1,0,0,0,0|1,1,0]=4 2606 B10R1.2 Cc1cccc(c1N)S[13CH3] 62a_200025704644_100011834072 [1,1,0,0,0,0|1,1,0]=4 2607 B10R1.2 Cc1cccc(c1O)C#N 271570a_203496583355_100011934862 [1,1,0,0,0,0|2,0,0]=4 2608 B10R1.2 Cc1cccc(c1O)CO 271570a_203496583355_100011659289 [1,1,0,0,0,0|2,0,0]=4 2609 B10R1.2 Cc1cccc(c1O)N[13CH3] 34a_100000756359_200025704644 [1,1,0,0,0,0|1,0,0]=3 2610 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_100009817157_200025704644 [1,1,0,0,0,0|0,1,0]=3 2611 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_200025704644_100009817157 [1,1,0,0,0,0|0,1,0]=3 2612 B10R1.2 Cc1ccnc(c1Br)O[13CH3] 34a_100012000493_200025704644 [1,1,0,0,0,0|2,0,0]=4 2613 B10R1.2 Cc1ccnc(c1C)S[13CH3] 62a_100009847204_200025704644 [1,1,0,0,0,0|1,1,0]=4 2614 B10R1.2 Cc1ccnc(c1C)S[13CH3] 62a_200025704644_100009847204 [1,1,0,0,0,0|1,1,0]=4 2615 B10R1.2 Cc1ccnc(c1O)S[13CH3] 62a_200025704644_100000696282 [1,1,0,0,0,0|1,1,0]=4 2616 B10R1.2 Cc1cncc(c1C)S[13CH3] 62a_100009864703_200025704644 [1,1,0,0,0,0|1,1,0]=4 2617 B10R1.2 Cc1cncc(c1C)S[13CH3] 62a_200025704644_100009864703 [1,1,0,0,0,0|1,1,0]=4 2618 B10R1.2 Cc1nccc(c1C)S[13CH3] 62a_100009846815_200025704644 [1,1,0,0,0,0|1,1,0]=4 2619 B10R1.2 Cc1nccc(c1C)S[13CH3] 62a_200025704644_100009846815 [1,1,0,0,0,0|1,1,0]=4 2620 B10R1.2 Cc1ncnc(c1C)O[13CH3] 34a_100000697798_200025704644 [1,1,0,0,0,0|2,0,0]=4 2621 B10R1.2 Cn1c(cccc1=O)S[13CH3] 62a_100000726605_200025704644 [1,1,0,0,0,0|1,1,0]=4 2622 B10R1.2 Cn1c(cccc1=O)S[13CH3] 62a_200025704644_100000726605 [1,1,0,0,0,0|1,1,0]=4 2623 B10R1.2 Cn1cccc(c1=O)O[13CH3] 34a_100000117616_200025704644 [1,1,0,0,0,0|1,0,1]=4 2624 B10R1.2 Cn1cccc(c1=O)O[13CH3] 7a_100000117616_200025704644 [1,1,0,0,0,0|1,0,1]=4 2625 B10R1.2 N#Cc1cccc(c1O)Br 271570a_203496583355_100000703783 [1,1,0,0,0,0|2,0,0]=4 2626 B10R1.2 N#Cc1cccc(c1O)Cl 271570a_203496583355_100010134094 [1,1,0,0,0,0|2,0,0]=4 2627 B10R1.2 N#Cc1cccc(c1O)F 271570a_203496583355_100011219237 [1,1,0,0,0,0|2,0,0]=4 2628 B10R1.2 N#Cc1cccc(c1O)N 271570a_203496583355_100009877206 [1,1,0,0,0,0|2,0,0]=4 2629 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009817103 [1,1,0,0,0,0|2,0,0]=4 2630 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009818990 [1,1,0,0,0,0|2,0,0]=4 2631 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [1,1,0,0,0,0|2,0,0]=4 2632 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [1,1,0,0,0,0|2,0,0]=4 2633 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [1,1,0,0,0,0|2,0,0]=4 2634 B10R1.2 OCc1cccc(c1O)Br 271570a_203496583355_100010146604 [1,1,0,0,0,0|2,0,0]=4 2635 B10R1.2 OCc1cccc(c1O)F 271570a_203496583355_100000692438 [1,1,0,0,0,0|2,0,0]=4 2636 B10R1.2 [13CH3]Nc1cccc(c1Br)Cl 34a_100000687072_200025704644 [1,1,0,0,0,0|2,0,0]=4 2637 B10R1.2 [13CH3]Nc1cccc(c1Br)F 34a_100011934729_200025704644 [1,1,0,0,0,0|2,0,0]=4 2638 B10R1.2 [13CH3]Nc1cccc(c1Br)O 34a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2639 B10R1.2 [13CH3]Nc1cccc(c1Br)O 7a_100012183704_200025704644 [1,1,0,0,0,0|2,0,0]=4 2640 B10R1.2 [13CH3]Nc1cccc(c1Cl)Br 34a_100000687075_200025704644 [1,1,0,0,0,0|2,0,0]=4 2641 B10R1.2 [13CH3]Nc1cccc(c1Cl)Cl 34a_100000185733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2642 B10R1.2 [13CH3]Nc1cccc(c1Cl)F 34a_100000692321_200025704644 [1,1,0,0,0,0|2,0,0]=4 2643 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 34a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2644 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 7a_100012002038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2645 B10R1.2 [13CH3]Nc1cccc(c1F)Br 2230a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2646 B10R1.2 [13CH3]Nc1cccc(c1F)Br 34a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 2647 B10R1.2 [13CH3]Nc1cccc(c1F)Cl 2230a_100000199060_200025704644 [1,1,0,0,0,0|2,0,0]=4 2648 B10R1.2 [13CH3]Nc1cccc(c1F)Cl 34a_100000199060_200025704644 [1,1,0,0,0,0|2,0,0]=4 2649 B10R1.2 [13CH3]Nc1cccc(c1F)F 34a_100000743855_200025704644 [1,1,0,0,0,0|2,0,0]=4 2650 B10R1.2 [13CH3]Nc1cccc(c1I)Br 34a_100020590159_200025704644 [1,1,0,0,0,0|2,0,0]=4 2651 B10R1.2 [13CH3]Nc1cccc(c1I)Cl 34a_100000049713_200025704644 [1,1,0,0,0,0|2,0,0]=4 2652 B10R1.2 [13CH3]Nc1cccc(c1I)F 34a_100000690935_200025704644 [1,1,0,0,0,0|2,0,0]=4 2653 B10R1.2 [13CH3]Nc1cccc(c1O)Br 34a_100011934915_200025704644 [1,1,0,0,0,0|1,0,0]=3 2654 B10R1.2 [13CH3]Nc1cccc(c1O)Cl 34a_100000754742_200025704644 [1,1,0,0,0,0|1,0,0]=3 2655 B10R1.2 [13CH3]Nc1cccc(c1O)F 34a_100011934987_200025704644 [1,1,0,0,0,0|1,0,0]=3 2656 B10R1.2 [13CH3]Oc1cccc(c1Br)Br 34a_100010187966_200025704644 [1,1,0,0,0,0|1,0,0]=3 2657 B10R1.2 [13CH3]Oc1cccc(c1Br)Br 7a_100010187966_200025704644 [1,1,0,0,0,0|1,0,0]=3 2658 B10R1.2 [13CH3]Oc1cccc(c1Br)Cl 34a_100012348804_200025704644 [1,1,0,0,0,0|1,0,0]=3 2659 B10R1.2 [13CH3]Oc1cccc(c1Br)Cl 7a_100012348804_200025704644 [1,1,0,0,0,0|1,0,0]=3 2660 B10R1.2 [13CH3]Oc1cccc(c1Br)F 34a_100009820682_200025704644 [1,1,0,0,0,0|1,0,0]=3 2661 B10R1.2 [13CH3]Oc1cccc(c1Br)F 7a_100009820682_200025704644 [1,1,0,0,0,0|1,0,0]=3 2662 B10R1.2 [13CH3]Oc1cccc(c1Br)I 34a_100010187914_200025704644 [1,1,0,0,0,0|1,0,0]=3 2663 B10R1.2 [13CH3]Oc1cccc(c1Br)I 7a_100010187914_200025704644 [1,1,0,0,0,0|1,0,0]=3 2664 B10R1.2 [13CH3]Oc1cccc(c1Br)N 34a_100012183704_200025704644 [1,1,0,0,0,0|1,0,0]=3 2665 B10R1.2 [13CH3]Oc1cccc(c1Br)N 7a_100012183704_200025704644 [1,1,0,0,0,0|1,0,0]=3 2666 B10R1.2 [13CH3]Oc1cccc(c1Cl)Br 34a_100010187913_200025704644 [1,1,0,0,0,0|1,0,0]=3 2667 B10R1.2 [13CH3]Oc1cccc(c1Cl)Br 7a_100010187913_200025704644 [1,1,0,0,0,0|1,0,0]=3 2668 B10R1.2 [13CH3]Oc1cccc(c1Cl)Cl 34a_100000211076_200025704644 [1,1,0,0,0,0|1,0,0]=3 2669 B10R1.2 [13CH3]Oc1cccc(c1Cl)Cl 7a_100000211076_200025704644 [1,1,0,0,0,0|1,0,0]=3 2670 B10R1.2 [13CH3]Oc1cccc(c1Cl)F 34a_100000087408_200025704644 [1,1,0,0,0,0|1,0,0]=3 2671 B10R1.2 [13CH3]Oc1cccc(c1Cl)F 7a_100000087408_200025704644 [1,1,0,0,0,0|1,0,0]=3 2672 B10R1.2 [13CH3]Oc1cccc(c1Cl)I 34a_100000049636_200025704644 [1,1,0,0,0,0|1,0,0]=3 2673 B10R1.2 [13CH3]Oc1cccc(c1Cl)I 7a_100000049636_200025704644 [1,1,0,0,0,0|1,0,0]=3 2674 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 34a_100012002038_200025704644 [1,1,0,0,0,0|1,0,0]=3 2675 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 7a_100012002038_200025704644 [1,1,0,0,0,0|1,0,0]=3 2676 B10R1.2 [13CH3]Oc1cccc(c1F)Br 34a_100009817021_200025704644 [1,1,0,0,0,0|1,0,0]=3 2677 B10R1.2 [13CH3]Oc1cccc(c1F)Br 7a_100009817021_200025704644 [1,1,0,0,0,0|1,0,0]=3 2678 B10R1.2 [13CH3]Oc1cccc(c1F)Cl 34a_100000687438_200025704644 [1,1,0,0,0,0|1,0,0]=3 2679 B10R1.2 [13CH3]Oc1cccc(c1F)Cl 7a_100000687438_200025704644 [1,1,0,0,0,0|1,0,0]=3 2680 B10R1.2 [13CH3]Oc1cccc(c1F)F 34a_100000751161_200025704644 [1,1,0,0,0,0|1,0,0]=3 2681 B10R1.2 [13CH3]Oc1cccc(c1F)F 7a_100000751161_200025704644 [1,1,0,0,0,0|1,0,0]=3 2682 B10R1.2 [13CH3]Oc1cccc(c1I)Br 34a_100010187912_200025704644 [1,1,0,0,0,0|1,0,0]=3 2683 B10R1.2 [13CH3]Oc1cccc(c1I)Br 7a_100010187912_200025704644 [1,1,0,0,0,0|1,0,0]=3 2684 B10R1.2 [13CH3]Oc1cccc(c1I)Cl 34a_100000050174_200025704644 [1,1,0,0,0,0|1,0,0]=3 2685 B10R1.2 [13CH3]Oc1cccc(c1I)Cl 7a_100000050174_200025704644 [1,1,0,0,0,0|1,0,0]=3 2686 B10R1.2 [13CH3]Oc1cccc(c1I)F 34a_100000690913_200025704644 [1,1,0,0,0,0|1,0,0]=3 2687 B10R1.2 [13CH3]Oc1cccc(c1I)F 7a_100000690913_200025704644 [1,1,0,0,0,0|1,0,0]=3 2688 B10R1.2 [13CH3]Oc1cccc(c1N)Br 34a_100011934926_200025704644 [1,1,0,0,0,0|1,0,0]=3 2689 B10R1.2 [13CH3]Oc1cccc(c1N)Br 7a_100011934926_200025704644 [1,1,0,0,0,0|1,0,0]=3 2690 B10R1.2 [13CH3]Oc1cccc(c1N)Cl 34a_100012022510_200025704644 [1,1,0,0,0,0|1,0,0]=3 2691 B10R1.2 [13CH3]Oc1cccc(c1N)Cl 7a_100012022510_200025704644 [1,1,0,0,0,0|1,0,0]=3 2692 B10R1.2 [13CH3]Oc1cccc(c1N)F 34a_100020591140_200025704644 [1,1,0,0,0,0|1,0,0]=3 2693 B10R1.2 [13CH3]Oc1cccc(c1N)F 7a_100020591140_200025704644 [1,1,0,0,0,0|1,0,0]=3 2694 B10R1.2 [13CH3]Oc1cccc(c1N)I 34a_200000049512_200025704644 [1,1,0,0,0,0|1,0,0]=3 2695 B10R1.2 [13CH3]Oc1cccc(c1N)I 7a_200000049512_200025704644 [1,1,0,0,0,0|1,0,0]=3 2696 B10R1.2 [13CH3]Oc1cccc(c1N)N 34a_100000033209_200025704644 [1,1,0,0,0,0|1,0,0]=3 2697 B10R1.2 [13CH3]Oc1ccnc(c1Br)Cl 34a_100010136240_200025704644 [1,1,0,0,0,0|2,0,0]=4 2698 B10R1.2 [13CH3]Oc1ccnc(c1Cl)Cl 34a_100009860235_200025704644 [1,1,0,0,0,0|2,0,0]=4 2699 B10R1.2 [13CH3]Oc1ccnc(c1F)Br 34a_100009876375_200025704644 [1,1,0,0,0,0|2,0,0]=4 2700 B10R1.2 [13CH3]Oc1ccnc(c1F)Cl 34a_100009856406_200025704644 [1,1,0,0,0,0|2,0,0]=4 2701 B10R1.2 [13CH3]Oc1ccnc(c1N)Cl 34a_100000128729_200025704644 [1,1,0,0,0,0|2,0,0]=4 2702 B10R1.2 [13CH3]Oc1nccc(c1Cl)N 34a_200000093555_200025704644 [1,1,0,0,0,0|2,0,0]=4 2703 B10R1.2 [13CH3]Sc1cccc(c1Br)Br 62a_100010175083_200025704644 [1,1,0,0,0,0|1,1,0]=4 2704 B10R1.2 [13CH3]Sc1cccc(c1Br)Br 62a_200025704644_100010175083 [1,1,0,0,0,0|1,1,0]=4 2705 B10R1.2 [13CH3]Sc1cccc(c1Br)Cl 62a_100014021842_200025704644 [1,1,0,0,0,0|1,1,0]=4 2706 B10R1.2 [13CH3]Sc1cccc(c1Br)Cl 62a_200025704644_100014021842 [1,1,0,0,0,0|1,1,0]=4 2707 B10R1.2 [13CH3]Sc1cccc(c1Br)F 62a_100010202630_200025704644 [1,1,0,0,0,0|1,1,0]=4 2708 B10R1.2 [13CH3]Sc1cccc(c1Br)F 62a_200025704644_100010202630 [1,1,0,0,0,0|1,1,0]=4 2709 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_100010187914_200025704644 [1,1,0,0,0,0|1,1,0]=4 2710 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_200025704644_100010187914 [1,1,0,0,0,0|1,1,0]=4 2711 B10R1.2 [13CH3]Sc1cccc(c1Cl)Br 62a_100010142854_200025704644 [1,1,0,0,0,0|1,1,0]=4 2712 B10R1.2 [13CH3]Sc1cccc(c1Cl)Br 62a_200025704644_100010142854 [1,1,0,0,0,0|1,1,0]=4 2713 B10R1.2 [13CH3]Sc1cccc(c1Cl)Cl 62a_100011215384_200025704644 [1,1,0,0,0,0|1,1,0]=4 2714 B10R1.2 [13CH3]Sc1cccc(c1Cl)Cl 62a_200025704644_100011215384 [1,1,0,0,0,0|1,1,0]=4 2715 B10R1.2 [13CH3]Sc1cccc(c1Cl)F 62a_200010234923_200025704644 [1,1,0,0,0,0|1,1,0]=4 2716 B10R1.2 [13CH3]Sc1cccc(c1Cl)F 62a_200025704644_200010234923 [1,1,0,0,0,0|1,1,0]=4 2717 B10R1.2 [13CH3]Sc1cccc(c1Cl)O 62a_200025704644_100000049636 [1,1,0,0,0,0|1,1,0]=4 2718 B10R1.2 [13CH3]Sc1cccc(c1F)Br 62a_100000702267_200025704644 [1,1,0,0,0,0|1,1,0]=4 2719 B10R1.2 [13CH3]Sc1cccc(c1F)Br 62a_200025704644_100000702267 [1,1,0,0,0,0|1,1,0]=4 2720 B10R1.2 [13CH3]Sc1cccc(c1F)Cl 62a_100011217346_200025704644 [1,1,0,0,0,0|1,1,0]=4 2721 B10R1.2 [13CH3]Sc1cccc(c1F)Cl 62a_200025704644_100011217346 [1,1,0,0,0,0|1,1,0]=4 2722 B10R1.2 [13CH3]Sc1cccc(c1F)F 62a_100000694657_200025704644 [1,1,0,0,0,0|1,1,0]=4 2723 B10R1.2 [13CH3]Sc1cccc(c1F)F 62a_200025704644_100000694657 [1,1,0,0,0,0|1,1,0]=4 2724 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_100011935091_200025704644 [1,1,0,0,0,0|1,1,0]=4 2725 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_200025704644_100011935091 [1,1,0,0,0,0|1,1,0]=4 2726 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_100009817021_200025704644 [1,1,0,0,0,0|1,1,0]=4 2727 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_200025704644_100009817021 [1,1,0,0,0,0|1,1,0]=4 2728 B10R1.2 [13CH3]Sc1cccc(c1N)Br 62a_100010146558_200025704644 [1,1,0,0,0,0|1,1,0]=4 2729 B10R1.2 [13CH3]Sc1cccc(c1N)Br 62a_200025704644_100010146558 [1,1,0,0,0,0|1,1,0]=4 2730 B10R1.2 [13CH3]Sc1cccc(c1N)Cl 62a_100010190421_200025704644 [1,1,0,0,0,0|1,1,0]=4 2731 B10R1.2 [13CH3]Sc1cccc(c1N)Cl 62a_200025704644_100010190421 [1,1,0,0,0,0|1,1,0]=4 2732 B10R1.2 [13CH3]Sc1cccc(c1N)F 62a_100000042321_200025704644 [1,1,0,0,0,0|1,1,0]=4 2733 B10R1.2 [13CH3]Sc1cccc(c1N)F 62a_200025704644_100000042321 [1,1,0,0,0,0|1,1,0]=4 2734 B10R1.2 [13CH3]Sc1cccc(c1N)N 62a_100015191791_200025704644 [1,1,0,0,0,0|1,1,0]=4 2735 B10R1.2 [13CH3]Sc1cccc(c1N)O 62a_200025704644_100011934926 [1,1,0,0,0,0|1,1,0]=4 2736 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_100010084509_200025704644 [1,1,0,0,0,0|0,1,0]=3 2737 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_200025704644_100010084509 [1,1,0,0,0,0|0,1,0]=3 2738 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_100010202889_200025704644 [1,1,0,0,0,0|0,1,0]=3 2739 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_200025704644_100010202889 [1,1,0,0,0,0|0,1,0]=3 2740 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_100009813666_200025704644 [1,1,0,0,0,0|0,1,0]=3 2741 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_200025704644_100009813666 [1,1,0,0,0,0|0,1,0]=3 2742 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_100011934915_200025704644 [1,1,0,0,0,0|0,1,0]=3 2743 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_200025704644_100010084371 [1,1,0,0,0,0|0,1,0]=3 2744 B10R1.2 [13CH3]Sc1cccc(c1O)O 62a_200025704644_100009815950 [1,1,0,0,0,0|0,1,0]=3 2745 B10R1.2 [13CH3]Sc1ccnc(c1O)Cl 62a_200025704644_100010067911 [1,1,0,0,0,0|1,1,0]=4 2746 B10R1.2 [13CH3]Sc1cncc(c1O)N 62a_100000694263_200025704644 [1,1,0,0,0,0|1,1,0]=4 2747 B10R1.2 [13CH3]Sc1cncc(c1O)N 62a_200025704644_100000694263 [1,1,0,0,0,0|1,1,0]=4 2748 B10R1.2 [13CH3]Sc1nccc(c1O)F 62a_200025704644_100009867227 [1,1,0,0,0,0|1,1,0]=4 2749 B10R1.2 [13CH3]Sc1nccc(c1O)N 62a_200025704644_100009844647 [1,1,0,0,0,0|1,1,0]=4 2750 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [1,1,0,0,0,0|1,0,1]=4 2751 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [1,1,0,0,0,0|1,0,1]=4 2752 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [1,1,0,0,0,0|1,0,1]=4 2753 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [1,1,0,0,0,0|2,0,0]=4 2754 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [1,1,0,0,0,0|2,0,0]=4 2755 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,1,0,0,0,0|1,0,0]=3 2756 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [1,1,0,0,0,0|2,0,0]=4 2757 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [1,1,0,0,0,0|2,0,0]=4 2758 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [1,1,0,0,0,0|2,0,0]=4 2759 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [1,1,0,0,0,0|1,0,0]=3 2760 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,1,0,0,0,0|2,0,0]=4 2761 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,1,0,0,0,0|2,0,0]=4 2762 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [1,1,0,0,0,0|2,0,0]=4 2763 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,1,0,0,0,0|2,0,0]=4 2764 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,1,0,0,0,0|2,0,0]=4 2765 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [1,1,0,0,0,0|2,0,0]=4 2766 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [1,1,0,0,0,0|2,0,0]=4 2767 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,1,0,0,0,0|1,0,0]=3 2768 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [1,1,0,0,0,0|2,0,0]=4 2769 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [1,1,0,0,0,0|2,0,0]=4 2770 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [1,1,0,0,0,0|2,0,0]=4 2771 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [1,1,0,0,0,0|1,0,0]=3 2772 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 2773 B10R1.4 CCNc1ccncc1C 27a_100015525214_100000765111 [1,1,0,0,0,0|2,0,0]=4 2774 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [1,1,0,0,0,0|1,0,1]=4 2775 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,1,0,0,0,0|1,0,0]=3 2776 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,1,0,0,0,0|1,0,0]=3 2777 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,1,0,0,0,0|0,0,0]=2 2778 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,1,0,0,0,0|0,0,0]=2 2779 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2780 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,1,0,0,0,0|1,0,0]=3 2781 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,1,0,0,0,0|1,0,0]=3 2782 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,1,0,0,0,0|1,0,0]=3 2783 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,1,0,0,0,0|1,0,0]=3 2784 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,1,0,0,0,0|1,0,0]=3 2785 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 2786 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,1,0,0,0,0|1,0,0]=3 2787 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,1,0,0,0,0|0,0,0]=2 2788 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 2789 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,1,0,0,0,0|2,0,0]=4 2790 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,1,0,0,0,0|1,0,0]=3 2791 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,1,0,0,0,0|1,0,0]=3 2792 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 2793 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,1,0,0,0,0|2,0,0]=4 2794 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 2795 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,1,0,0,0,0|2,0,0]=4 2796 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 2797 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,1,0,0,0,0|2,0,0]=4 2798 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 2799 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,1,0,0,0,0|2,0,0]=4 2800 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,1,0,0,0,0|1,0,0]=3 2801 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [1,1,0,0,0,0|1,0,1]=4 2802 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [1,1,0,0,0,0|1,0,1]=4 2803 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [1,1,0,0,0,0|2,0,0]=4 2804 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,1,0,0,0,0|1,0,0]=3 2805 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [1,1,0,0,0,0|2,0,0]=4 2806 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [1,1,0,0,0,0|2,0,0]=4 2807 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,1,0,0,0,0|1,0,0]=3 2808 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,1,0,0,0,0|1,0,0]=3 2809 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [1,1,0,0,0,0|2,0,0]=4 2810 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [1,1,0,0,0,0|2,0,0]=4 2811 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [1,1,0,0,0,0|2,0,0]=4 2812 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [1,1,0,0,0,0|1,0,1]=4 2813 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,1,0,0,0,0|2,0,0]=4 2814 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,1,0,0,0,0|2,0,0]=4 2815 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,1,0,0,0,0|2,0,0]=4 2816 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,1,0,0,0,0|1,0,0]=3 2817 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [1,1,0,0,0,0|2,0,0]=4 2818 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [1,1,0,0,0,0|2,0,0]=4 2819 B10R1.4 CCSc1cccc[n+]1C 62a_100000210202_100000212160 [1,1,0,0,0,0|1,1,0]=4 2820 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [1,1,0,0,0,0|1,1,0]=4 2821 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [1,1,0,0,0,0|1,1,0]=4 2822 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,1,0,0,0,0|0,1,0]=3 2823 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,1,0,0,0,0|0,1,0]=3 2824 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [1,1,0,0,0,0|1,1,0]=4 2825 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [1,1,0,0,0,0|1,1,0]=4 2826 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [1,1,0,0,0,0|1,1,0]=4 2827 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [1,1,0,0,0,0|1,1,0]=4 2828 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [1,1,0,0,0,0|1,1,0]=4 2829 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [1,1,0,0,0,0|1,1,0]=4 2830 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [1,1,0,0,0,0|0,1,0]=3 2831 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [1,1,0,0,0,0|0,1,0]=3 2832 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [1,1,0,0,0,0|0,1,0]=3 2833 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,1,0,0,0,0|1,1,0]=4 2834 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,1,0,0,0,0|1,1,0]=4 2835 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,1,0,0,0,0|1,1,0]=4 2836 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,1,0,0,0,0|1,1,0]=4 2837 B10R1.4 CCSc1ccncc1C 62a_100000210202_100000765111 [1,1,0,0,0,0|1,1,0]=4 2838 B10R1.4 CCSc1ccncc1C 62a_100000765111_100000210202 [1,1,0,0,0,0|1,1,0]=4 2839 B10R1.4 CCSc1ccncc1O 62a_100000210202_100009817591 [1,1,0,0,0,0|1,1,0]=4 2840 B10R1.4 CCSc1ccncc1O 62a_100009817591_100000210202 [1,1,0,0,0,0|1,1,0]=4 2841 B10R1.4 CCSc1cnccc1C 62a_100000210202_100000761580 [1,1,0,0,0,0|1,1,0]=4 2842 B10R1.4 CCSc1cnccc1C 62a_100000761580_100000210202 [1,1,0,0,0,0|1,1,0]=4 2843 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,1,0,0,0,0|1,1,0]=4 2844 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,1,0,0,0,0|1,1,0]=4 2845 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,1,0,0,0,0|1,1,0]=4 2846 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,1,0,0,0,0|1,1,0]=4 2847 B10R1.4 CNCc1ccccc1Br 207a_100102657272_100000211189 [1,1,0,0,0,0|2,0,0]=4 2848 B10R1.4 CNCc1ccccc1Br 2230a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 2849 B10R1.4 CNCc1ccccc1Br 2230a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 2850 B10R1.4 CNCc1ccccc1Br 26a_100102657272_100000181306 [1,1,0,0,0,0|2,0,0]=4 2851 B10R1.4 CNCc1ccccc1Br 270004a_106832991635_100000211189 [1,1,0,0,0,0|2,0,0]=4 2852 B10R1.4 CNCc1ccccc1Br 34a_100000689332_200000210301 [1,1,0,0,0,0|2,0,0]=4 2853 B10R1.4 CNCc1ccccc1Br 34a_100102657272_100000184730 [1,1,0,0,0,0|2,0,0]=4 2854 B10R1.4 CNCc1ccccc1Br 7a_106832991635_100000184730 [1,1,0,0,0,0|2,0,0]=4 2855 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [1,1,0,0,0,0|1,0,0]=3 2856 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [1,1,0,0,0,0|1,0,0]=3 2857 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [1,1,0,0,0,0|1,0,0]=3 2858 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [1,1,0,0,0,0|1,0,0]=3 2859 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [1,1,0,0,0,0|1,0,0]=3 2860 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [1,1,0,0,0,0|1,0,0]=3 2861 B10R1.4 CNCc1ccccc1Cl 207a_100102657272_100000210073 [1,1,0,0,0,0|2,0,0]=4 2862 B10R1.4 CNCc1ccccc1Cl 2230a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2863 B10R1.4 CNCc1ccccc1Cl 2230a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 2864 B10R1.4 CNCc1ccccc1Cl 26a_100102657272_100000210172 [1,1,0,0,0,0|2,0,0]=4 2865 B10R1.4 CNCc1ccccc1Cl 270004a_106832991635_100000210073 [1,1,0,0,0,0|2,0,0]=4 2866 B10R1.4 CNCc1ccccc1Cl 34a_100000174879_200000210301 [1,1,0,0,0,0|2,0,0]=4 2867 B10R1.4 CNCc1ccccc1Cl 34a_100102657272_100000187162 [1,1,0,0,0,0|2,0,0]=4 2868 B10R1.4 CNCc1ccccc1Cl 7a_106832991635_100000187162 [1,1,0,0,0,0|2,0,0]=4 2869 B10R1.4 CNCc1ccccc1F 207a_100102657272_100000210811 [1,1,0,0,0,0|2,0,0]=4 2870 B10R1.4 CNCc1ccccc1F 2230a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 2871 B10R1.4 CNCc1ccccc1F 270004a_106832991635_100000210811 [1,1,0,0,0,0|2,0,0]=4 2872 B10R1.4 CNCc1ccccc1F 34a_100000174869_200000210301 [1,1,0,0,0,0|2,0,0]=4 2873 B10R1.4 CNCc1ccccc1F 34a_100102657272_100000211605 [1,1,0,0,0,0|2,0,0]=4 2874 B10R1.4 CNCc1ccccc1F 7a_106832991635_100000211605 [1,1,0,0,0,0|2,0,0]=4 2875 B10R1.4 CNCc1ccccc1I 207a_100102657272_100000010305 [1,1,0,0,0,0|2,0,0]=4 2876 B10R1.4 CNCc1ccccc1I 2230a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 2877 B10R1.4 CNCc1ccccc1I 270004a_106832991635_100000010305 [1,1,0,0,0,0|2,0,0]=4 2878 B10R1.4 CNCc1ccccc1I 34a_100102657272_100011215278 [1,1,0,0,0,0|2,0,0]=4 2879 B10R1.4 CNCc1ccccc1I 7a_106832991635_100011215278 [1,1,0,0,0,0|2,0,0]=4 2880 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [1,1,0,0,0,0|1,0,0]=3 2881 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [1,1,0,0,0,0|1,0,0]=3 2882 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,1,0,0,0,0|2,0,0]=4 2883 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,1,0,0,0,0|2,0,0]=4 2884 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,1,0,0,0,0|2,0,0]=4 2885 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,1,0,0,0,0|2,0,0]=4 2886 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,1,0,0,0,0|2,0,0]=4 2887 B10R1.4 CNCc1cccnc1O 207a_100102657272_100011998315 [1,1,0,0,0,0|2,0,0]=4 2888 B10R1.4 CNCc1cccnc1O 270004a_106832991635_100011998315 [1,1,0,0,0,0|2,0,0]=4 2889 B10R1.4 CNCc1cccnc1O 271570a_203496583355_103496529121 [1,1,0,0,0,0|2,0,0]=4 2890 B10R1.4 CNCc1ccncc1C 2230a_106832991635_100020672808 [1,1,0,0,0,0|2,0,0]=4 2891 B10R1.4 CNCc1ccncc1C 34a_100102657272_100020672809 [1,1,0,0,0,0|2,0,0]=4 2892 B10R1.4 CNCc1ccncc1C 7a_106832991635_100020672808 [1,1,0,0,0,0|2,0,0]=4 2893 B10R1.4 CNCc1cnccc1C 207a_100102657272_100000685662 [1,1,0,0,0,0|2,0,0]=4 2894 B10R1.4 CNCc1cnccc1C 2230a_106832991635_100000690890 [1,1,0,0,0,0|2,0,0]=4 2895 B10R1.4 CNCc1cnccc1C 270004a_106832991635_100000685662 [1,1,0,0,0,0|2,0,0]=4 2896 B10R1.4 CNCc1cnccc1C 34a_100102657272_100000690890 [1,1,0,0,0,0|2,0,0]=4 2897 B10R1.4 CNCc1cnccc1C 7a_106832991635_100000690890 [1,1,0,0,0,0|2,0,0]=4 2898 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,1,0,0,0,0|2,0,0]=4 2899 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,1,0,0,0,0|2,0,0]=4 2900 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,1,0,0,0,0|2,0,0]=4 2901 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2902 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,1,0,0,0,0|2,0,0]=4 2903 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,1,0,0,0,0|2,0,0]=4 2904 B10R1.4 CNCc1ncccc1O 34a_100102657272_200020655725 [1,1,0,0,0,0|2,0,0]=4 2905 B10R1.4 CNCc1ncccc1O 7a_106832991635_200020655725 [1,1,0,0,0,0|2,0,0]=4 2906 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [1,1,0,0,0,0|1,0,0]=3 2907 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [1,1,0,0,0,0|1,0,0]=3 2908 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [1,1,0,0,0,0|1,0,0]=3 2909 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [1,1,0,0,0,0|0,0,0]=2 2910 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [1,1,0,0,0,0|0,0,0]=2 2911 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [1,1,0,0,0,0|0,0,0]=2 2912 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [1,1,0,0,0,0|1,0,0]=3 2913 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [1,1,0,0,0,0|1,0,0]=3 2914 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [1,1,0,0,0,0|1,0,0]=3 2915 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [1,1,0,0,0,0|1,0,0]=3 2916 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [1,1,0,0,0,0|1,0,0]=3 2917 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [1,1,0,0,0,0|1,0,0]=3 2918 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [1,1,0,0,0,0|1,0,0]=3 2919 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [1,1,0,0,0,0|1,0,0]=3 2920 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [1,1,0,0,0,0|1,0,0]=3 2921 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [1,1,0,0,0,0|1,0,0]=3 2922 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [1,1,0,0,0,0|0,0,0]=2 2923 B10R1.4 COCc1cccnc1Br 34a_100000719692_200000210301 [1,1,0,0,0,0|2,0,0]=4 2924 B10R1.4 COCc1cccnc1Br 34a_100138415774_100010140945 [1,1,0,0,0,0|2,0,0]=4 2925 B10R1.4 COCc1cccnc1Br 7a_100000719692_200000210301 [1,1,0,0,0,0|2,0,0]=4 2926 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,1,0,0,0,0|1,0,0]=3 2927 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,1,0,0,0,0|1,0,0]=3 2928 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,1,0,0,0,0|1,0,0]=3 2929 B10R1.4 COCc1cccnc1Cl 34a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 2930 B10R1.4 COCc1cccnc1Cl 34a_100138415774_100000045678 [1,1,0,0,0,0|2,0,0]=4 2931 B10R1.4 COCc1cccnc1Cl 7a_100000748726_200000210301 [1,1,0,0,0,0|2,0,0]=4 2932 B10R1.4 COCc1cccnc1F 34a_100000079888_200000210301 [1,1,0,0,0,0|2,0,0]=4 2933 B10R1.4 COCc1cccnc1F 34a_100138415774_100000099810 [1,1,0,0,0,0|2,0,0]=4 2934 B10R1.4 COCc1cccnc1F 7a_100000079888_200000210301 [1,1,0,0,0,0|2,0,0]=4 2935 B10R1.4 COCc1ccncc1C 34a_100011997032_200000210301 [1,1,0,0,0,0|1,0,0]=3 2936 B10R1.4 COCc1ccncc1C 34a_100138415774_100020672809 [1,1,0,0,0,0|1,0,0]=3 2937 B10R1.4 COCc1ccncc1F 34a_100012172863_200000210301 [1,1,0,0,0,0|2,0,0]=4 2938 B10R1.4 COCc1cnccc1C 34a_100011996381_200000210301 [1,1,0,0,0,0|1,0,0]=3 2939 B10R1.4 COCc1cnccc1C 34a_100138415774_100000690890 [1,1,0,0,0,0|1,0,0]=3 2940 B10R1.4 COCc1cnccc1Cl 34a_100000117392_200000210301 [1,1,0,0,0,0|2,0,0]=4 2941 B10R1.4 COCc1ncccc1Br 34a_100011996772_200000210301 [1,1,0,0,0,0|2,0,0]=4 2942 B10R1.4 COCc1ncccc1Br 34a_100138415774_100025702911 [1,1,0,0,0,0|2,0,0]=4 2943 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,1,0,0,0,0|1,0,0]=3 2944 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,1,0,0,0,0|1,0,0]=3 2945 B10R1.4 COCc1ncccc1Cl 34a_100012002383_200000210301 [1,1,0,0,0,0|2,0,0]=4 2946 B10R1.4 COCc1ncccc1F 34a_100011934865_200000210301 [1,1,0,0,0,0|2,0,0]=4 2947 B10R1.4 COCc1ncccc1F 34a_100138415774_100000104219 [1,1,0,0,0,0|2,0,0]=4 2948 B10R1.4 COCc1ncccc1N 34a_114873767017_200000210301 [1,1,0,0,0,0|2,0,0]=4 2949 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [1,1,0,0,0,0|1,0,0]=3 2950 B10R1.4 CSCc1ccccc1Br 62a_100000184730_200000210301 [1,1,0,0,0,0|1,1,0]=4 2951 B10R1.4 CSCc1ccccc1Br 62a_200000210301_100000184730 [1,1,0,0,0,0|1,1,0]=4 2952 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [1,1,0,0,0,0|0,1,0]=3 2953 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [1,1,0,0,0,0|0,1,0]=3 2954 B10R1.4 CSCc1ccccc1Cl 62a_100000187162_200000210301 [1,1,0,0,0,0|1,1,0]=4 2955 B10R1.4 CSCc1ccccc1Cl 62a_200000210301_100000187162 [1,1,0,0,0,0|1,1,0]=4 2956 B10R1.4 CSCc1ccccc1F 62a_100000211605_200000210301 [1,1,0,0,0,0|1,1,0]=4 2957 B10R1.4 CSCc1ccccc1F 62a_200000210301_100000211605 [1,1,0,0,0,0|1,1,0]=4 2958 B10R1.4 CSCc1ccccc1I 62a_100011216222_200000210301 [1,1,0,0,0,0|1,1,0]=4 2959 B10R1.4 CSCc1ccccc1I 62a_200000210301_100011216222 [1,1,0,0,0,0|1,1,0]=4 2960 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [1,1,0,0,0,0|0,1,0]=3 2961 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [1,1,0,0,0,0|1,1,0]=4 2962 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [1,1,0,0,0,0|1,1,0]=4 2963 B10R1.4 CSCc1ccncc1C 62a_100020672808_200000210301 [1,1,0,0,0,0|1,1,0]=4 2964 B10R1.4 CSCc1ccncc1C 62a_200000210301_100020672808 [1,1,0,0,0,0|1,1,0]=4 2965 B10R1.4 CSCc1cnccc1C 62a_100000690890_200000210301 [1,1,0,0,0,0|1,1,0]=4 2966 B10R1.4 CSCc1cnccc1C 62a_200000210301_100000690890 [1,1,0,0,0,0|1,1,0]=4 2967 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,1,0,0,0,0|1,1,0]=4 2968 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,1,0,0,0,0|1,1,0]=4 2969 B10R1.4 CSCc1ncccc1O 62a_200000210301_200020655725 [1,1,0,0,0,0|1,1,0]=4 2970 B10R1.4 CSCc1ncccc1O 62a_200020655725_200000210301 [1,1,0,0,0,0|1,1,0]=4 2971 B10R1.4 C[n+]1ccccc1SCF 62a_100015361967_100000212160 [1,1,0,0,0,0|1,1,0]=4 2972 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [1,1,0,0,0,0|1,0,0]=3 2973 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [1,1,0,0,0,0|0,0,0]=2 2974 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [1,1,0,0,0,0|0,0,0]=2 2975 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [1,1,0,0,0,0|0,1,0]=3 2976 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [1,1,0,0,0,0|0,1,0]=3 2977 B10R1.4 Cc1ccccc1NCF 34a_100015192222_100015361967 [1,1,0,0,0,0|1,0,0]=3 2978 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,1,0,0,0,0|0,0,0]=2 2979 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,1,0,0,0,0|0,0,0]=2 2980 B10R1.4 Cc1ccccc1SCF 62a_100000210755_100015361967 [1,1,0,0,0,0|0,1,0]=3 2981 B10R1.4 Cc1ccccc1SCF 62a_100015361967_100000210755 [1,1,0,0,0,0|0,1,0]=3 2982 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2983 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,1,0,0,0,0|1,0,0]=3 2984 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,1,0,0,0,0|1,1,0]=4 2985 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,1,0,0,0,0|1,1,0]=4 2986 B10R1.4 Cc1cccnc1SCF 62a_100000751373_100015361967 [1,1,0,0,0,0|1,1,0]=4 2987 B10R1.4 Cc1cccnc1SCF 62a_100015361967_100000751373 [1,1,0,0,0,0|1,1,0]=4 2988 B10R1.4 Cc1ccncc1CO[13CH3] 34a_100011996381_200025704644 [1,1,0,0,0,0|1,0,0]=3 2989 B10R1.4 Cc1ccncc1CS[13CH3] 62a_100000690890_200025704644 [1,1,0,0,0,0|1,1,0]=4 2990 B10R1.4 Cc1ccncc1CS[13CH3] 62a_200025704644_100000690890 [1,1,0,0,0,0|1,1,0]=4 2991 B10R1.4 Cc1ccncc1OCF 34a_100011997053_100015361967 [1,1,0,0,0,0|1,0,0]=3 2992 B10R1.4 Cc1ccncc1OCF 7a_100011997053_100015361967 [1,1,0,0,0,0|1,0,0]=3 2993 B10R1.4 Cc1ccncc1SCF 62a_100000761580_100015361967 [1,1,0,0,0,0|1,1,0]=4 2994 B10R1.4 Cc1ccncc1SCF 62a_100015361967_100000761580 [1,1,0,0,0,0|1,1,0]=4 2995 B10R1.4 Cc1cnccc1CO[13CH3] 34a_100011997032_200025704644 [1,1,0,0,0,0|1,0,0]=3 2996 B10R1.4 Cc1cnccc1CS[13CH3] 62a_100020672808_200025704644 [1,1,0,0,0,0|1,1,0]=4 2997 B10R1.4 Cc1cnccc1CS[13CH3] 62a_200025704644_100020672808 [1,1,0,0,0,0|1,1,0]=4 2998 B10R1.4 Cc1cnccc1OCF 34a_100000694293_100015361967 [1,1,0,0,0,0|1,0,0]=3 2999 B10R1.4 Cc1cnccc1SCF 62a_100000765111_100015361967 [1,1,0,0,0,0|1,1,0]=4 3000 B10R1.4 Cc1cnccc1SCF 62a_100015361967_100000765111 [1,1,0,0,0,0|1,1,0]=4 3001 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,1,0,0,0,0|1,0,0]=3 3002 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,1,0,0,0,0|1,0,0]=3 3003 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [1,1,0,0,0,0|1,1,0]=4 3004 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [1,1,0,0,0,0|1,1,0]=4 3005 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [1,1,0,0,0,0|1,0,0]=3 3006 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [1,1,0,0,0,0|1,0,0]=3 3007 B10R1.4 Cc1ncccc1SCF 62a_100000751574_100015361967 [1,1,0,0,0,0|1,1,0]=4 3008 B10R1.4 Cc1ncccc1SCF 62a_100015361967_100000751574 [1,1,0,0,0,0|1,1,0]=4 3009 B10R1.4 Cc1nccnc1OCF 34a_100000766352_100015361967 [1,1,0,0,0,0|2,0,0]=4 3010 B10R1.4 FCNc1ccccc1Br 34a_100000210017_100015361967 [1,1,0,0,0,0|2,0,0]=4 3011 B10R1.4 FCNc1ccccc1Cl 34a_100000185783_100015361967 [1,1,0,0,0,0|2,0,0]=4 3012 B10R1.4 FCNc1ccccc1F 34a_100000210422_100015361967 [1,1,0,0,0,0|2,0,0]=4 3013 B10R1.4 FCNc1ccccc1I 34a_100000210053_100015361967 [1,1,0,0,0,0|2,0,0]=4 3014 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [1,1,0,0,0,0|1,0,0]=3 3015 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [1,1,0,0,0,0|1,0,0]=3 3016 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [1,1,0,0,0,0|1,0,0]=3 3017 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [1,1,0,0,0,0|1,0,0]=3 3018 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [1,1,0,0,0,0|1,0,0]=3 3019 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [1,1,0,0,0,0|1,0,0]=3 3020 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 3021 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [1,1,0,0,0,0|1,0,0]=3 3022 B10R1.4 FCOc1cccnc1Br 34a_100000744436_100015361967 [1,1,0,0,0,0|2,0,0]=4 3023 B10R1.4 FCOc1cccnc1Br 7a_100000744436_100015361967 [1,1,0,0,0,0|2,0,0]=4 3024 B10R1.4 FCOc1cccnc1Cl 34a_100000757616_100015361967 [1,1,0,0,0,0|2,0,0]=4 3025 B10R1.4 FCOc1cccnc1Cl 7a_100000757616_100015361967 [1,1,0,0,0,0|2,0,0]=4 3026 B10R1.4 FCOc1cccnc1F 34a_100000061740_100015361967 [1,1,0,0,0,0|2,0,0]=4 3027 B10R1.4 FCOc1cccnc1F 7a_100000061740_100015361967 [1,1,0,0,0,0|2,0,0]=4 3028 B10R1.4 FCOc1cccnc1I 34a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 3029 B10R1.4 FCOc1cccnc1I 7a_100000034122_100015361967 [1,1,0,0,0,0|2,0,0]=4 3030 B10R1.4 FCOc1ccncc1Br 34a_100011996408_100015361967 [1,1,0,0,0,0|2,0,0]=4 3031 B10R1.4 FCOc1ccncc1Cl 34a_100011997054_100015361967 [1,1,0,0,0,0|2,0,0]=4 3032 B10R1.4 FCOc1ccncc1F 34a_200000081243_100015361967 [1,1,0,0,0,0|2,0,0]=4 3033 B10R1.4 FCOc1cnccc1Cl 34a_100011996695_100015361967 [1,1,0,0,0,0|2,0,0]=4 3034 B10R1.4 FCOc1cnccc1I 34a_100000050107_100015361967 [1,1,0,0,0,0|2,0,0]=4 3035 B10R1.4 FCOc1ncccc1Cl 34a_100011290957_100015361967 [1,1,0,0,0,0|2,0,0]=4 3036 B10R1.4 FCOc1ncccc1F 34a_100011219419_100015361967 [1,1,0,0,0,0|2,0,0]=4 3037 B10R1.4 FCSc1ccccc1Br 62a_100000695589_100015361967 [1,1,0,0,0,0|1,1,0]=4 3038 B10R1.4 FCSc1ccccc1Br 62a_100015361967_100000695589 [1,1,0,0,0,0|1,1,0]=4 3039 B10R1.4 FCSc1ccccc1Cl 62a_100000764095_100015361967 [1,1,0,0,0,0|1,1,0]=4 3040 B10R1.4 FCSc1ccccc1Cl 62a_100015361967_100000764095 [1,1,0,0,0,0|1,1,0]=4 3041 B10R1.4 FCSc1ccccc1F 62a_100011215700_100015361967 [1,1,0,0,0,0|1,1,0]=4 3042 B10R1.4 FCSc1ccccc1F 62a_100015361967_100011215700 [1,1,0,0,0,0|1,1,0]=4 3043 B10R1.4 N#CCc1ccccc1O 271570a_203496583355_100000033512 [1,1,0,0,0,0|1,0,1]=4 3044 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [1,1,0,0,0,0|1,0,0]=3 3045 B10R1.4 NNCc1ccccc1O 271570a_203496583355_200016993956 [1,1,0,0,0,0|2,0,0]=4 3046 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 3047 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 3048 B10R1.4 Nc1ccccc1SCF 62a_100000210017_100015361967 [1,1,0,0,0,0|1,1,0]=4 3049 B10R1.4 Nc1ccccc1SCF 62a_100015361967_100000210017 [1,1,0,0,0,0|1,1,0]=4 3050 B10R1.4 Nc1cccnc1OCF 34a_100000746358_100015361967 [1,1,0,0,0,0|2,0,0]=4 3051 B10R1.4 Nc1ccncc1OCF 34a_100000753702_100015361967 [1,1,0,0,0,0|2,0,0]=4 3052 B10R1.4 Nc1ncccc1OCF 34a_100000211975_100015361967 [1,1,0,0,0,0|2,0,0]=4 3053 B10R1.4 Nc1ncccc1OCF 7a_100000211975_100015361967 [1,1,0,0,0,0|2,0,0]=4 3054 B10R1.4 O=c1ccocc1OCF 34a_100000060831_100015361967 [1,1,0,0,0,0|1,0,1]=4 3055 B10R1.4 O=c1occcc1OCF 34a_100000077404_100015361967 [1,1,0,0,0,0|1,0,1]=4 3056 B10R1.4 O=c1occcc1OCF 7a_100000077404_100015361967 [1,1,0,0,0,0|1,0,1]=4 3057 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [1,1,0,0,0,0|1,0,0]=3 3058 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [1,1,0,0,0,0|1,0,0]=3 3059 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [1,1,0,0,0,0|0,1,0]=3 3060 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [1,1,0,0,0,0|0,1,0]=3 3061 B10R1.4 Oc1cccnc1SCF 62a_100000034122_100015361967 [1,1,0,0,0,0|1,1,0]=4 3062 B10R1.4 Oc1cccnc1SCF 62a_100015361967_100000034122 [1,1,0,0,0,0|1,1,0]=4 3063 B10R1.4 Oc1cnccc1SCF 62a_100009817591_100015361967 [1,1,0,0,0,0|1,1,0]=4 3064 B10R1.4 Oc1cnccc1SCF 62a_100015361967_100009817591 [1,1,0,0,0,0|1,1,0]=4 3065 B10R1.4 Oc1ncccc1SCF 62a_100000760158_100015361967 [1,1,0,0,0,0|1,1,0]=4 3066 B10R1.4 Oc1ncccc1SCF 62a_100015361967_100000760158 [1,1,0,0,0,0|1,1,0]=4 3067 B10R1.4 [13CH3]NCc1ccccc1Br 2230a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 3068 B10R1.4 [13CH3]NCc1ccccc1Br 34a_100000689332_200025704644 [1,1,0,0,0,0|2,0,0]=4 3069 B10R1.4 [13CH3]NCc1ccccc1Cl 2230a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 3070 B10R1.4 [13CH3]NCc1ccccc1Cl 34a_100000174879_200025704644 [1,1,0,0,0,0|2,0,0]=4 3071 B10R1.4 [13CH3]NCc1ccccc1F 34a_100000174869_200025704644 [1,1,0,0,0,0|2,0,0]=4 3072 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [1,1,0,0,0,0|1,0,0]=3 3073 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [1,1,0,0,0,0|1,0,0]=3 3074 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [1,1,0,0,0,0|1,0,0]=3 3075 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [1,1,0,0,0,0|1,0,0]=3 3076 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [1,1,0,0,0,0|1,0,0]=3 3077 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [1,1,0,0,0,0|1,0,0]=3 3078 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [1,1,0,0,0,0|1,0,0]=3 3079 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [1,1,0,0,0,0|1,0,0]=3 3080 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [1,1,0,0,0,0|1,0,0]=3 3081 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [1,1,0,0,0,0|1,0,0]=3 3082 B10R1.4 [13CH3]OCc1cccnc1Br 34a_100000719692_200025704644 [1,1,0,0,0,0|2,0,0]=4 3083 B10R1.4 [13CH3]OCc1cccnc1Br 7a_100000719692_200025704644 [1,1,0,0,0,0|2,0,0]=4 3084 B10R1.4 [13CH3]OCc1cccnc1Cl 34a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 3085 B10R1.4 [13CH3]OCc1cccnc1Cl 7a_100000748726_200025704644 [1,1,0,0,0,0|2,0,0]=4 3086 B10R1.4 [13CH3]OCc1cccnc1F 34a_100000079888_200025704644 [1,1,0,0,0,0|2,0,0]=4 3087 B10R1.4 [13CH3]OCc1cccnc1F 7a_100000079888_200025704644 [1,1,0,0,0,0|2,0,0]=4 3088 B10R1.4 [13CH3]OCc1ccncc1F 34a_100012172863_200025704644 [1,1,0,0,0,0|2,0,0]=4 3089 B10R1.4 [13CH3]OCc1cnccc1Cl 34a_100000117392_200025704644 [1,1,0,0,0,0|2,0,0]=4 3090 B10R1.4 [13CH3]OCc1ncccc1Br 34a_100011996772_200025704644 [1,1,0,0,0,0|2,0,0]=4 3091 B10R1.4 [13CH3]OCc1ncccc1Cl 34a_100012002383_200025704644 [1,1,0,0,0,0|2,0,0]=4 3092 B10R1.4 [13CH3]OCc1ncccc1F 34a_100011934865_200025704644 [1,1,0,0,0,0|2,0,0]=4 3093 B10R1.4 [13CH3]OCc1ncccc1N 34a_114873767017_200025704644 [1,1,0,0,0,0|2,0,0]=4 3094 B10R1.4 [13CH3]SCc1ccccc1Br 62a_100000184730_200025704644 [1,1,0,0,0,0|1,1,0]=4 3095 B10R1.4 [13CH3]SCc1ccccc1Br 62a_200025704644_100000184730 [1,1,0,0,0,0|1,1,0]=4 3096 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_100000187162_200025704644 [1,1,0,0,0,0|1,1,0]=4 3097 B10R1.4 [13CH3]SCc1ccccc1Cl 62a_200025704644_100000187162 [1,1,0,0,0,0|1,1,0]=4 3098 B10R1.4 [13CH3]SCc1ccccc1F 62a_100000211605_200025704644 [1,1,0,0,0,0|1,1,0]=4 3099 B10R1.4 [13CH3]SCc1ccccc1F 62a_200025704644_100000211605 [1,1,0,0,0,0|1,1,0]=4 3100 B10R1.4 [13CH3]SCc1ccccc1I 62a_100011216222_200025704644 [1,1,0,0,0,0|1,1,0]=4 3101 B10R1.4 [13CH3]SCc1ccccc1I 62a_200025704644_100011216222 [1,1,0,0,0,0|1,1,0]=4 3102 B10R1.4 [13CH3]SCc1ncccc1O 62a_200020655725_200025704644 [1,1,0,0,0,0|1,1,0]=4 3103 B10R1.4 [13CH3]SCc1ncccc1O 62a_200025704644_200020655725 [1,1,0,0,0,0|1,1,0]=4 3104 B10R1.4 [N-]=[N+]=Nc1ccccc1O 271570a_203496583355_100000762926 [1,1,0,0,0,0|2,0,0]=4 3105 B10R1.4 [O-][n+]1ccccc1OCF 7a_100000211761_100015361967 [1,1,0,0,0,0|1,0,1]=4 3106 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [1,1,0,0,0,0|1,0,1]=4 3107 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,1,0,0,0,0|1,0,1]=4 3108 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,1,0,0,0,0|1,0,1]=4 3109 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [1,1,0,0,0,0|1,0,1]=4 3110 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [1,1,0,0,0,0|1,0,1]=4 3111 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [1,1,0,0,0,0|1,0,1]=4 3112 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,1,0,0,0,0|1,0,1]=4 3113 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,1,0,0,0,0|1,0,1]=4 3114 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,1,0,0,0,0|1,0,1]=4 3115 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,1,0,0,0,0|1,0,1]=4 3116 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,1,0,0,0,0|1,0,1]=4 3117 B10R1.25 CCc1ccc(cc1F)O 271570a_203496583355_200010071577 [1,1,0,0,0,0|2,0,0]=4 3118 B10R1.25 CCc1ccc(cc1N)O 271570a_203496583355_100012354963 [1,1,0,0,0,0|2,0,0]=4 3119 B10R1.25 CCc1cnc(cc1O)C 271570a_203496583355_100010291839 [1,1,0,0,0,0|2,0,0]=4 3120 B10R1.25 CCc1ncc(cc1O)N 271570a_203496583355_100013085292 [1,1,0,0,0,0|2,0,0]=4 3121 B10R1.25 CNc1ccc(cc1Br)Br 34a_100000211012_200000210301 [1,1,0,0,0,0|2,0,0]=4 3122 B10R1.25 CNc1ccc(cc1Br)C 34a_100000210942_200000210301 [1,1,0,0,0,0|2,0,0]=4 3123 B10R1.25 CNc1ccc(cc1Br)Cl 34a_100000752454_200000210301 [1,1,0,0,0,0|2,0,0]=4 3124 B10R1.25 CNc1ccc(cc1Br)F 34a_100000738039_200000210301 [1,1,0,0,0,0|2,0,0]=4 3125 B10R1.25 CNc1ccc(cc1Br)O 34a_100012001276_200000210301 [1,1,0,0,0,0|2,0,0]=4 3126 B10R1.25 CNc1ccc(cc1C)Br 34a_100000211769_200000210301 [1,1,0,0,0,0|1,0,0]=3 3127 B10R1.25 CNc1ccc(cc1C)Br 7a_100000211769_200000210301 [1,1,0,0,0,0|1,0,0]=3 3128 B10R1.25 CNc1ccc(cc1C)C 34a_100000736561_200000210301 [1,1,0,0,0,0|1,0,0]=3 3129 B10R1.25 CNc1ccc(cc1C)C 7a_100000736561_200000210301 [1,1,0,0,0,0|1,0,0]=3 3130 B10R1.25 CNc1ccc(cc1C)Cl 34a_100000210418_200000210301 [1,1,0,0,0,0|1,0,0]=3 3131 B10R1.25 CNc1ccc(cc1C)Cl 7a_100000210418_200000210301 [1,1,0,0,0,0|1,0,0]=3 3132 B10R1.25 CNc1ccc(cc1C)F 34a_100000211637_200000210301 [1,1,0,0,0,0|1,0,0]=3 3133 B10R1.25 CNc1ccc(cc1C)F 7a_100000211637_200000210301 [1,1,0,0,0,0|1,0,0]=3 3134 B10R1.25 CNc1ccc(cc1C)I 34a_100000184554_200000210301 [1,1,0,0,0,0|1,0,0]=3 3135 B10R1.25 CNc1ccc(cc1C)I 7a_100000184554_200000210301 [1,1,0,0,0,0|1,0,0]=3 3136 B10R1.25 CNc1ccc(cc1C)O 271570a_203496583355_100000221803 [1,1,0,0,0,0|1,0,0]=3 3137 B10R1.25 CNc1ccc(cc1C)O 34a_100000756630_200000210301 [1,1,0,0,0,0|1,0,0]=3 3138 B10R1.25 CNc1ccc(cc1Cl)Br 34a_100000211467_200000210301 [1,1,0,0,0,0|2,0,0]=4 3139 B10R1.25 CNc1ccc(cc1Cl)C 34a_100000210522_200000210301 [1,1,0,0,0,0|2,0,0]=4 3140 B10R1.25 CNc1ccc(cc1Cl)Cl 34a_100000185861_200000210301 [1,1,0,0,0,0|2,0,0]=4 3141 B10R1.25 CNc1ccc(cc1Cl)F 34a_100000212003_200000210301 [1,1,0,0,0,0|2,0,0]=4 3142 B10R1.25 CNc1ccc(cc1Cl)I 34a_100011218065_200000210301 [1,1,0,0,0,0|2,0,0]=4 3143 B10R1.25 CNc1ccc(cc1Cl)O 34a_100011215599_200000210301 [1,1,0,0,0,0|2,0,0]=4 3144 B10R1.25 CNc1ccc(cc1F)Br 34a_100000210722_200000210301 [1,1,0,0,0,0|2,0,0]=4 3145 B10R1.25 CNc1ccc(cc1F)C 34a_100000211023_200000210301 [1,1,0,0,0,0|2,0,0]=4 3146 B10R1.25 CNc1ccc(cc1F)Cl 34a_100000211020_200000210301 [1,1,0,0,0,0|2,0,0]=4 3147 B10R1.25 CNc1ccc(cc1F)F 34a_100000210720_200000210301 [1,1,0,0,0,0|2,0,0]=4 3148 B10R1.25 CNc1ccc(cc1F)I 34a_100011215594_200000210301 [1,1,0,0,0,0|2,0,0]=4 3149 B10R1.25 CNc1ccc(cc1F)O 271570a_203496583355_100000743884 [1,1,0,0,0,0|2,0,0]=4 3150 B10R1.25 CNc1ccc(cc1F)O 34a_100000759473_200000210301 [1,1,0,0,0,0|2,0,0]=4 3151 B10R1.25 CNc1ccc(cc1I)Br 34a_100000187925_200000210301 [1,1,0,0,0,0|2,0,0]=4 3152 B10R1.25 CNc1ccc(cc1I)C 34a_100011356834_200000210301 [1,1,0,0,0,0|2,0,0]=4 3153 B10R1.25 CNc1ccc(cc1I)Cl 34a_100000761889_200000210301 [1,1,0,0,0,0|2,0,0]=4 3154 B10R1.25 CNc1ccc(cc1I)F 34a_100000760547_200000210301 [1,1,0,0,0,0|2,0,0]=4 3155 B10R1.25 CNc1ccc(cc1I)O 34a_100010084370_200000210301 [1,1,0,0,0,0|2,0,0]=4 3156 B10R1.25 CNc1ccc(cc1N)O 271570a_203496583355_100000741790 [1,1,0,0,0,0|2,0,0]=4 3157 B10R1.25 CNc1ccc(cc1O)Br 34a_100000739049_200000210301 [1,1,0,0,0,0|1,0,0]=3 3158 B10R1.25 CNc1ccc(cc1O)C 271570a_203496583355_100000221369 [1,1,0,0,0,0|1,0,0]=3 3159 B10R1.25 CNc1ccc(cc1O)C 34a_100000211527_200000210301 [1,1,0,0,0,0|1,0,0]=3 3160 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [1,1,0,0,0,0|1,0,0]=3 3161 B10R1.25 CNc1ccc(cc1O)F 271570a_203496583355_100011246292 [1,1,0,0,0,0|1,0,0]=3 3162 B10R1.25 CNc1ccc(cc1O)F 34a_100000753323_200000210301 [1,1,0,0,0,0|1,0,0]=3 3163 B10R1.25 CNc1ccc(cc1O)O 34a_100000106777_200000210301 [1,1,0,0,0,0|1,0,0]=3 3164 B10R1.25 CNc1ncc(cc1C)O 271570a_203496583355_100012357622 [1,1,0,0,0,0|2,0,0]=4 3165 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [1,1,0,0,0,0|1,0,0]=3 3166 B10R1.25 COc1ccc(cc1Br)Br 34a_100000188717_200000210301 [1,1,0,0,0,0|1,0,0]=3 3167 B10R1.25 COc1ccc(cc1Br)Br 7a_100000188717_200000210301 [1,1,0,0,0,0|1,0,0]=3 3168 B10R1.25 COc1ccc(cc1Br)C 34a_100000210800_200000210301 [1,1,0,0,0,0|1,0,0]=3 3169 B10R1.25 COc1ccc(cc1Br)C 7a_100000210800_200000210301 [1,1,0,0,0,0|1,0,0]=3 3170 B10R1.25 COc1ccc(cc1Br)Cl 34a_100000211998_200000210301 [1,1,0,0,0,0|1,0,0]=3 3171 B10R1.25 COc1ccc(cc1Br)Cl 7a_100000211998_200000210301 [1,1,0,0,0,0|1,0,0]=3 3172 B10R1.25 COc1ccc(cc1Br)F 34a_100000211999_200000210301 [1,1,0,0,0,0|1,0,0]=3 3173 B10R1.25 COc1ccc(cc1Br)F 7a_100000211999_200000210301 [1,1,0,0,0,0|1,0,0]=3 3174 B10R1.25 COc1ccc(cc1Br)I 34a_100012361655_200000210301 [1,1,0,0,0,0|1,0,0]=3 3175 B10R1.25 COc1ccc(cc1Br)I 7a_100012361655_200000210301 [1,1,0,0,0,0|1,0,0]=3 3176 B10R1.25 COc1ccc(cc1Br)N 34a_100011534360_200000210301 [1,1,0,0,0,0|1,0,0]=3 3177 B10R1.25 COc1ccc(cc1Br)N 7a_100011534360_200000210301 [1,1,0,0,0,0|1,0,0]=3 3178 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [1,1,0,0,0,0|1,0,0]=3 3179 B10R1.25 COc1ccc(cc1C)Br 34a_100000186361_200000210301 [1,1,0,0,0,0|0,0,0]=2 3180 B10R1.25 COc1ccc(cc1C)Br 7a_100000186361_200000210301 [1,1,0,0,0,0|0,0,0]=2 3181 B10R1.25 COc1ccc(cc1C)C 34a_100000211776_200000210301 [1,1,0,0,0,0|0,0,0]=2 3182 B10R1.25 COc1ccc(cc1C)C 7a_100000211776_200000210301 [1,1,0,0,0,0|0,0,0]=2 3183 B10R1.25 COc1ccc(cc1C)Cl 34a_100000211091_200000210301 [1,1,0,0,0,0|0,0,0]=2 3184 B10R1.25 COc1ccc(cc1C)Cl 7a_100000211091_200000210301 [1,1,0,0,0,0|0,0,0]=2 3185 B10R1.25 COc1ccc(cc1C)F 34a_100000764316_200000210301 [1,1,0,0,0,0|0,0,0]=2 3186 B10R1.25 COc1ccc(cc1C)F 7a_100000764316_200000210301 [1,1,0,0,0,0|0,0,0]=2 3187 B10R1.25 COc1ccc(cc1C)I 34a_100011218673_200000210301 [1,1,0,0,0,0|0,0,0]=2 3188 B10R1.25 COc1ccc(cc1C)I 7a_100011218673_200000210301 [1,1,0,0,0,0|0,0,0]=2 3189 B10R1.25 COc1ccc(cc1C)N 34a_100011218179_200000210301 [1,1,0,0,0,0|0,0,0]=2 3190 B10R1.25 COc1ccc(cc1C)N 7a_100011218179_200000210301 [1,1,0,0,0,0|0,0,0]=2 3191 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [1,1,0,0,0,0|0,0,0]=2 3192 B10R1.25 COc1ccc(cc1Cl)Br 34a_100000186472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3193 B10R1.25 COc1ccc(cc1Cl)Br 7a_100000186472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3194 B10R1.25 COc1ccc(cc1Cl)C 34a_100000749699_200000210301 [1,1,0,0,0,0|1,0,0]=3 3195 B10R1.25 COc1ccc(cc1Cl)C 7a_100000749699_200000210301 [1,1,0,0,0,0|1,0,0]=3 3196 B10R1.25 COc1ccc(cc1Cl)Cl 34a_100015191787_200000210301 [1,1,0,0,0,0|1,0,0]=3 3197 B10R1.25 COc1ccc(cc1Cl)Cl 7a_100015191787_200000210301 [1,1,0,0,0,0|1,0,0]=3 3198 B10R1.25 COc1ccc(cc1Cl)F 34a_100000212004_200000210301 [1,1,0,0,0,0|1,0,0]=3 3199 B10R1.25 COc1ccc(cc1Cl)F 7a_100000212004_200000210301 [1,1,0,0,0,0|1,0,0]=3 3200 B10R1.25 COc1ccc(cc1Cl)I 34a_100012360047_200000210301 [1,1,0,0,0,0|1,0,0]=3 3201 B10R1.25 COc1ccc(cc1Cl)I 7a_100012360047_200000210301 [1,1,0,0,0,0|1,0,0]=3 3202 B10R1.25 COc1ccc(cc1Cl)N 34a_100000744943_200000210301 [1,1,0,0,0,0|1,0,0]=3 3203 B10R1.25 COc1ccc(cc1Cl)N 7a_100000744943_200000210301 [1,1,0,0,0,0|1,0,0]=3 3204 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [1,1,0,0,0,0|1,0,0]=3 3205 B10R1.25 COc1ccc(cc1F)Br 34a_100000185481_200000210301 [1,1,0,0,0,0|1,0,0]=3 3206 B10R1.25 COc1ccc(cc1F)Br 7a_100000185481_200000210301 [1,1,0,0,0,0|1,0,0]=3 3207 B10R1.25 COc1ccc(cc1F)C 34a_100011216688_200000210301 [1,1,0,0,0,0|1,0,0]=3 3208 B10R1.25 COc1ccc(cc1F)C 7a_100011216688_200000210301 [1,1,0,0,0,0|1,0,0]=3 3209 B10R1.25 COc1ccc(cc1F)Cl 34a_100000230166_200000210301 [1,1,0,0,0,0|1,0,0]=3 3210 B10R1.25 COc1ccc(cc1F)Cl 7a_100000230166_200000210301 [1,1,0,0,0,0|1,0,0]=3 3211 B10R1.25 COc1ccc(cc1F)F 34a_100000230127_200000210301 [1,1,0,0,0,0|1,0,0]=3 3212 B10R1.25 COc1ccc(cc1F)F 7a_100000230127_200000210301 [1,1,0,0,0,0|1,0,0]=3 3213 B10R1.25 COc1ccc(cc1F)I 34a_100011356965_200000210301 [1,1,0,0,0,0|1,0,0]=3 3214 B10R1.25 COc1ccc(cc1F)I 7a_100011356965_200000210301 [1,1,0,0,0,0|1,0,0]=3 3215 B10R1.25 COc1ccc(cc1F)N 34a_100011220035_200000210301 [1,1,0,0,0,0|1,0,0]=3 3216 B10R1.25 COc1ccc(cc1F)N 7a_100011220035_200000210301 [1,1,0,0,0,0|1,0,0]=3 3217 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [1,1,0,0,0,0|1,0,0]=3 3218 B10R1.25 COc1ccc(cc1I)Br 34a_100012355227_200000210301 [1,1,0,0,0,0|1,0,0]=3 3219 B10R1.25 COc1ccc(cc1I)Br 7a_100012355227_200000210301 [1,1,0,0,0,0|1,0,0]=3 3220 B10R1.25 COc1ccc(cc1I)C 34a_100000765521_200000210301 [1,1,0,0,0,0|1,0,0]=3 3221 B10R1.25 COc1ccc(cc1I)C 7a_100000765521_200000210301 [1,1,0,0,0,0|1,0,0]=3 3222 B10R1.25 COc1ccc(cc1I)Cl 34a_100011356953_200000210301 [1,1,0,0,0,0|1,0,0]=3 3223 B10R1.25 COc1ccc(cc1I)Cl 7a_100011356953_200000210301 [1,1,0,0,0,0|1,0,0]=3 3224 B10R1.25 COc1ccc(cc1I)F 34a_100012355409_200000210301 [1,1,0,0,0,0|1,0,0]=3 3225 B10R1.25 COc1ccc(cc1I)F 7a_100012355409_200000210301 [1,1,0,0,0,0|1,0,0]=3 3226 B10R1.25 COc1ccc(cc1I)I 7a_100010001573_200000210301 [1,1,0,0,0,0|1,0,0]=3 3227 B10R1.25 COc1ccc(cc1N)Br 34a_100000752626_200000210301 [1,1,0,0,0,0|1,0,0]=3 3228 B10R1.25 COc1ccc(cc1N)Br 7a_100000752626_200000210301 [1,1,0,0,0,0|1,0,0]=3 3229 B10R1.25 COc1ccc(cc1N)C 34a_100011215204_200000210301 [1,1,0,0,0,0|1,0,0]=3 3230 B10R1.25 COc1ccc(cc1N)C 7a_100011215204_200000210301 [1,1,0,0,0,0|1,0,0]=3 3231 B10R1.25 COc1ccc(cc1N)Cl 34a_100000210500_200000210301 [1,1,0,0,0,0|1,0,0]=3 3232 B10R1.25 COc1ccc(cc1N)Cl 7a_100000210500_200000210301 [1,1,0,0,0,0|1,0,0]=3 3233 B10R1.25 COc1ccc(cc1N)F 34a_100000759472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3234 B10R1.25 COc1ccc(cc1N)F 7a_100000759472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3235 B10R1.25 COc1ccc(cc1N)I 34a_100000753495_200000210301 [1,1,0,0,0,0|1,0,0]=3 3236 B10R1.25 COc1ccc(cc1N)I 7a_100000753495_200000210301 [1,1,0,0,0,0|1,0,0]=3 3237 B10R1.25 COc1ccc(cc1N)N 34a_100000725306_200000210301 [1,1,0,0,0,0|1,0,0]=3 3238 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [1,1,0,0,0,0|1,0,0]=3 3239 B10R1.25 COc1ccc(cc1O)Br 271570a_203496583355_100012351588 [1,1,0,0,0,0|0,0,0]=2 3240 B10R1.25 COc1ccc(cc1O)C 271570a_203496583355_100000186399 [1,1,0,0,0,0|0,0,0]=2 3241 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [1,1,0,0,0,0|0,0,0]=2 3242 B10R1.25 COc1ccc(cc1O)F 271570a_203496583355_100000171694 [1,1,0,0,0,0|0,0,0]=2 3243 B10R1.25 COc1ccc(cc1O)N 271570a_203496583355_100000187427 [1,1,0,0,0,0|0,0,0]=2 3244 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [1,1,0,0,0,0|0,0,0]=2 3245 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [1,1,0,0,0,0|0,0,0]=2 3246 B10R1.25 COc1ccc(nc1Br)Br 34a_100009999766_200000210301 [1,1,0,0,0,0|2,0,0]=4 3247 B10R1.25 COc1ccc(nc1Br)Br 7a_100009999766_200000210301 [1,1,0,0,0,0|2,0,0]=4 3248 B10R1.25 COc1ccc(nc1Br)C 34a_100000702858_200000210301 [1,1,0,0,0,0|2,0,0]=4 3249 B10R1.25 COc1ccc(nc1Br)C 7a_100000702858_200000210301 [1,1,0,0,0,0|2,0,0]=4 3250 B10R1.25 COc1ccc(nc1Br)Cl 34a_100010219353_200000210301 [1,1,0,0,0,0|2,0,0]=4 3251 B10R1.25 COc1ccc(nc1Br)Cl 7a_100010219353_200000210301 [1,1,0,0,0,0|2,0,0]=4 3252 B10R1.25 COc1ccc(nc1Br)F 34a_100009887730_200000210301 [1,1,0,0,0,0|2,0,0]=4 3253 B10R1.25 COc1ccc(nc1Br)F 7a_100009887730_200000210301 [1,1,0,0,0,0|2,0,0]=4 3254 B10R1.25 COc1ccc(nc1Br)I 34a_100000725334_200000210301 [1,1,0,0,0,0|2,0,0]=4 3255 B10R1.25 COc1ccc(nc1Br)I 7a_100000725334_200000210301 [1,1,0,0,0,0|2,0,0]=4 3256 B10R1.25 COc1ccc(nc1Br)O 271570a_203496583355_100010214827 [1,1,0,0,0,0|2,0,0]=4 3257 B10R1.25 COc1ccc(nc1C)Br 34a_100012002022_200000210301 [1,1,0,0,0,0|1,0,0]=3 3258 B10R1.25 COc1ccc(nc1C)Br 7a_100012002022_200000210301 [1,1,0,0,0,0|1,0,0]=3 3259 B10R1.25 COc1ccc(nc1C)C 34a_100011218912_200000210301 [1,1,0,0,0,0|1,0,0]=3 3260 B10R1.25 COc1ccc(nc1C)C 7a_100011218912_200000210301 [1,1,0,0,0,0|1,0,0]=3 3261 B10R1.25 COc1ccc(nc1C)Cl 34a_100012184626_200000210301 [1,1,0,0,0,0|1,0,0]=3 3262 B10R1.25 COc1ccc(nc1C)Cl 7a_100012184626_200000210301 [1,1,0,0,0,0|1,0,0]=3 3263 B10R1.25 COc1ccc(nc1C)F 34a_100009881036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3264 B10R1.25 COc1ccc(nc1C)F 7a_100009881036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3265 B10R1.25 COc1ccc(nc1C)I 34a_100010233687_200000210301 [1,1,0,0,0,0|1,0,0]=3 3266 B10R1.25 COc1ccc(nc1C)I 7a_100010233687_200000210301 [1,1,0,0,0,0|1,0,0]=3 3267 B10R1.25 COc1ccc(nc1C)O 271570a_203496583355_100010244750 [1,1,0,0,0,0|1,0,0]=3 3268 B10R1.25 COc1ccc(nc1Cl)Br 34a_100010246206_200000210301 [1,1,0,0,0,0|2,0,0]=4 3269 B10R1.25 COc1ccc(nc1Cl)Br 7a_100010246206_200000210301 [1,1,0,0,0,0|2,0,0]=4 3270 B10R1.25 COc1ccc(nc1Cl)C 34a_100000086286_200000210301 [1,1,0,0,0,0|2,0,0]=4 3271 B10R1.25 COc1ccc(nc1Cl)C 7a_100000086286_200000210301 [1,1,0,0,0,0|2,0,0]=4 3272 B10R1.25 COc1ccc(nc1Cl)Cl 34a_100000101165_200000210301 [1,1,0,0,0,0|2,0,0]=4 3273 B10R1.25 COc1ccc(nc1Cl)Cl 7a_100000101165_200000210301 [1,1,0,0,0,0|2,0,0]=4 3274 B10R1.25 COc1ccc(nc1Cl)I 34a_100000721234_200000210301 [1,1,0,0,0,0|2,0,0]=4 3275 B10R1.25 COc1ccc(nc1Cl)I 7a_100000721234_200000210301 [1,1,0,0,0,0|2,0,0]=4 3276 B10R1.25 COc1ccc(nc1Cl)O 271570a_203496583355_100010233546 [1,1,0,0,0,0|2,0,0]=4 3277 B10R1.25 COc1ccc(nc1F)Br 34a_100009819667_200000210301 [1,1,0,0,0,0|2,0,0]=4 3278 B10R1.25 COc1ccc(nc1F)Br 7a_100009819667_200000210301 [1,1,0,0,0,0|2,0,0]=4 3279 B10R1.25 COc1ccc(nc1F)C 34a_100000079963_200000210301 [1,1,0,0,0,0|2,0,0]=4 3280 B10R1.25 COc1ccc(nc1F)C 7a_100000079963_200000210301 [1,1,0,0,0,0|2,0,0]=4 3281 B10R1.25 COc1ccc(nc1F)Cl 34a_100009880201_200000210301 [1,1,0,0,0,0|2,0,0]=4 3282 B10R1.25 COc1ccc(nc1F)Cl 7a_100009880201_200000210301 [1,1,0,0,0,0|2,0,0]=4 3283 B10R1.25 COc1ccc(nc1F)F 34a_100000101184_200000210301 [1,1,0,0,0,0|2,0,0]=4 3284 B10R1.25 COc1ccc(nc1F)F 7a_100000101184_200000210301 [1,1,0,0,0,0|2,0,0]=4 3285 B10R1.25 COc1ccc(nc1F)O 271570a_203496583355_100010138636 [1,1,0,0,0,0|2,0,0]=4 3286 B10R1.25 COc1ccc(nc1I)Br 34a_100010253912_200000210301 [1,1,0,0,0,0|2,0,0]=4 3287 B10R1.25 COc1ccc(nc1I)Br 7a_100010253912_200000210301 [1,1,0,0,0,0|2,0,0]=4 3288 B10R1.25 COc1ccc(nc1I)C 34a_100000023897_200000210301 [1,1,0,0,0,0|2,0,0]=4 3289 B10R1.25 COc1ccc(nc1I)C 7a_100000023897_200000210301 [1,1,0,0,0,0|2,0,0]=4 3290 B10R1.25 COc1ccc(nc1I)Cl 34a_100000696390_200000210301 [1,1,0,0,0,0|2,0,0]=4 3291 B10R1.25 COc1ccc(nc1I)Cl 7a_100000696390_200000210301 [1,1,0,0,0,0|2,0,0]=4 3292 B10R1.25 COc1ccc(nc1I)F 34a_100010382442_200000210301 [1,1,0,0,0,0|2,0,0]=4 3293 B10R1.25 COc1ccc(nc1I)F 7a_100010382442_200000210301 [1,1,0,0,0,0|2,0,0]=4 3294 B10R1.25 COc1ccc(nc1N)Br 34a_100000685527_200000210301 [1,1,0,0,0,0|2,0,0]=4 3295 B10R1.25 COc1ccc(nc1N)Br 7a_100000685527_200000210301 [1,1,0,0,0,0|2,0,0]=4 3296 B10R1.25 COc1ccc(nc1N)C 34a_100000694039_200000210301 [1,1,0,0,0,0|2,0,0]=4 3297 B10R1.25 COc1ccc(nc1N)C 7a_100000694039_200000210301 [1,1,0,0,0,0|2,0,0]=4 3298 B10R1.25 COc1ccc(nc1N)Cl 34a_100000717809_200000210301 [1,1,0,0,0,0|2,0,0]=4 3299 B10R1.25 COc1ccc(nc1N)Cl 7a_100000717809_200000210301 [1,1,0,0,0,0|2,0,0]=4 3300 B10R1.25 COc1ccc(nc1N)O 271570a_203496583355_100010192976 [1,1,0,0,0,0|2,0,0]=4 3301 B10R1.25 COc1ccc(nc1O)C 271570a_203496583355_100009820875 [1,1,0,0,0,0|1,0,0]=3 3302 B10R1.25 COc1ccc(nc1O)N 271570a_203496583355_100010172607 [1,1,0,0,0,0|1,0,0]=3 3303 B10R1.25 COc1cnc(cc1Br)C 34a_100009843476_200000210301 [1,1,0,0,0,0|2,0,0]=4 3304 B10R1.25 COc1cnc(cc1Br)C 7a_100009843476_200000210301 [1,1,0,0,0,0|2,0,0]=4 3305 B10R1.25 COc1cnc(cc1C)C 34a_200000068632_200000210301 [1,1,0,0,0,0|1,0,0]=3 3306 B10R1.25 COc1cnc(cc1C)C 7a_200000068632_200000210301 [1,1,0,0,0,0|1,0,0]=3 3307 B10R1.25 COc1cnc(cc1C)Cl 34a_100000692680_200000210301 [1,1,0,0,0,0|1,0,0]=3 3308 B10R1.25 COc1cnc(cc1C)Cl 7a_100000692680_200000210301 [1,1,0,0,0,0|1,0,0]=3 3309 B10R1.25 COc1cnc(cc1C)F 34a_100009856773_200000210301 [1,1,0,0,0,0|1,0,0]=3 3310 B10R1.25 COc1cnc(cc1C)F 7a_100009856773_200000210301 [1,1,0,0,0,0|1,0,0]=3 3311 B10R1.25 COc1cnc(cc1Cl)Cl 34a_100009868576_200000210301 [1,1,0,0,0,0|2,0,0]=4 3312 B10R1.25 COc1cnc(cc1Cl)Cl 7a_100009868576_200000210301 [1,1,0,0,0,0|2,0,0]=4 3313 B10R1.25 COc1cnc(cc1F)F 34a_100009885687_200000210301 [1,1,0,0,0,0|2,0,0]=4 3314 B10R1.25 COc1cnc(cc1F)F 7a_100009885687_200000210301 [1,1,0,0,0,0|2,0,0]=4 3315 B10R1.25 COc1cnc(cc1I)Cl 34a_100000698892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3316 B10R1.25 COc1cnc(cc1I)Cl 7a_100000698892_200000210301 [1,1,0,0,0,0|2,0,0]=4 3317 B10R1.25 COc1cnc(cc1N)Br 34a_100009819941_200000210301 [1,1,0,0,0,0|2,0,0]=4 3318 B10R1.25 COc1cnc(cc1N)Br 7a_100009819941_200000210301 [1,1,0,0,0,0|2,0,0]=4 3319 B10R1.25 COc1cnc(cc1N)O 271570a_203496583355_100010896307 [1,1,0,0,0,0|2,0,0]=4 3320 B10R1.25 COc1cnc(cc1O)C 271570a_203496583355_100010109759 [1,1,0,0,0,0|1,0,0]=3 3321 B10R1.25 COc1cnc(cc1O)O 271570a_203496583355_100010264082 [1,1,0,0,0,0|1,0,0]=3 3322 B10R1.25 COc1cnc(nc1C)C 34a_100009864123_200000210301 [1,1,0,0,0,0|2,0,0]=4 3323 B10R1.25 COc1cnc(nc1C)C 7a_100009864123_200000210301 [1,1,0,0,0,0|2,0,0]=4 3324 B10R1.25 COc1cnc(nc1C)O 271570a_203496583355_100010382893 [1,1,0,0,0,0|2,0,0]=4 3325 B10R1.25 COc1coc(cc1=O)C 34a_100000081520_200000210301 [1,1,0,0,0,0|1,0,1]=4 3326 B10R1.25 COc1ncc(cc1Br)Br 34a_100000701035_200000210301 [1,1,0,0,0,0|2,0,0]=4 3327 B10R1.25 COc1ncc(cc1Br)C 34a_100000719714_200000210301 [1,1,0,0,0,0|2,0,0]=4 3328 B10R1.25 COc1ncc(cc1Br)O 271570a_203496583355_200010988584 [1,1,0,0,0,0|2,0,0]=4 3329 B10R1.25 COc1ncc(cc1C)Br 34a_100000685391_200000210301 [1,1,0,0,0,0|1,0,0]=3 3330 B10R1.25 COc1ncc(cc1C)O 271570a_203496583355_100011290809 [1,1,0,0,0,0|1,0,0]=3 3331 B10R1.25 COc1ncc(cc1Cl)Br 34a_100012339560_200000210301 [1,1,0,0,0,0|2,0,0]=4 3332 B10R1.25 COc1ncc(cc1Cl)F 34a_100009847679_200000210301 [1,1,0,0,0,0|2,0,0]=4 3333 B10R1.25 COc1ncc(cc1F)Cl 34a_100011998252_200000210301 [1,1,0,0,0,0|2,0,0]=4 3334 B10R1.25 COc1ncc(cc1F)F 34a_100012025737_200000210301 [1,1,0,0,0,0|2,0,0]=4 3335 B10R1.25 COc1ncc(cc1F)O 271570a_203496583355_100011880707 [1,1,0,0,0,0|2,0,0]=4 3336 B10R1.25 COc1ncc(cc1N)Br 34a_100000743729_200000210301 [1,1,0,0,0,0|2,0,0]=4 3337 B10R1.25 COc1ncc(cc1N)C 34a_100012000488_200000210301 [1,1,0,0,0,0|2,0,0]=4 3338 B10R1.25 COc1ncc(cc1N)Cl 34a_100011998249_200000210301 [1,1,0,0,0,0|2,0,0]=4 3339 B10R1.25 COc1ncc(cc1N)O 271570a_203496583355_100000748608 [1,1,0,0,0,0|2,0,0]=4 3340 B10R1.25 COc1ncc(cc1O)Br 271570a_203496583355_100009814608 [1,1,0,0,0,0|1,0,0]=3 3341 B10R1.25 COc1ncc(cc1O)C 271570a_203496583355_100012353929 [1,1,0,0,0,0|1,0,0]=3 3342 B10R1.25 COc1ncc(cc1O)F 271570a_203496583355_100009828472 [1,1,0,0,0,0|1,0,0]=3 3343 B10R1.25 COc1ncc(cc1O)N 271570a_203496583355_100012351452 [1,1,0,0,0,0|1,0,0]=3 3344 B10R1.25 COc1ncc(cc1O)O 271570a_203496583355_100010135713 [1,1,0,0,0,0|1,0,0]=3 3345 B10R1.25 COc1nnc(cc1C)O 271570a_203496583355_100010272851 [1,1,0,0,0,0|2,0,0]=4 3346 B10R1.25 CSc1cc[n+](cc1C)[O-] 62a_200000210301_100000074940 [1,1,0,0,0,0|1,1,0]=4 3347 B10R1.25 CSc1ccc(cc1Br)Br 62a_100011484698_200000210301 [1,1,0,0,0,0|1,1,0]=4 3348 B10R1.25 CSc1ccc(cc1Br)Br 62a_200000210301_100011484698 [1,1,0,0,0,0|1,1,0]=4 3349 B10R1.25 CSc1ccc(cc1Br)C 62a_100009813563_200000210301 [1,1,0,0,0,0|1,1,0]=4 3350 B10R1.25 CSc1ccc(cc1Br)C 62a_200000210301_100009813563 [1,1,0,0,0,0|1,1,0]=4 3351 B10R1.25 CSc1ccc(cc1Br)Cl 62a_100011219703_200000210301 [1,1,0,0,0,0|1,1,0]=4 3352 B10R1.25 CSc1ccc(cc1Br)Cl 62a_200000210301_100011219703 [1,1,0,0,0,0|1,1,0]=4 3353 B10R1.25 CSc1ccc(cc1Br)F 62a_100011217111_200000210301 [1,1,0,0,0,0|1,1,0]=4 3354 B10R1.25 CSc1ccc(cc1Br)F 62a_200000210301_100011217111 [1,1,0,0,0,0|1,1,0]=4 3355 B10R1.25 CSc1ccc(cc1Br)N 62a_100000750458_200000210301 [1,1,0,0,0,0|1,1,0]=4 3356 B10R1.25 CSc1ccc(cc1Br)N 62a_200000210301_100000750458 [1,1,0,0,0,0|1,1,0]=4 3357 B10R1.25 CSc1ccc(cc1Br)O 62a_100000701344_200000210301 [1,1,0,0,0,0|1,1,0]=4 3358 B10R1.25 CSc1ccc(cc1Br)O 62a_200000210301_100000701344 [1,1,0,0,0,0|1,1,0]=4 3359 B10R1.25 CSc1ccc(cc1C)Br 62a_100000701812_200000210301 [1,1,0,0,0,0|0,1,0]=3 3360 B10R1.25 CSc1ccc(cc1C)Br 62a_200000210301_100000701812 [1,1,0,0,0,0|0,1,0]=3 3361 B10R1.25 CSc1ccc(cc1C)C 62a_100011217332_200000210301 [1,1,0,0,0,0|0,1,0]=3 3362 B10R1.25 CSc1ccc(cc1C)C 62a_200000210301_100011217332 [1,1,0,0,0,0|0,1,0]=3 3363 B10R1.25 CSc1ccc(cc1C)Cl 62a_100011219607_200000210301 [1,1,0,0,0,0|0,1,0]=3 3364 B10R1.25 CSc1ccc(cc1C)Cl 62a_200000210301_100011219607 [1,1,0,0,0,0|0,1,0]=3 3365 B10R1.25 CSc1ccc(cc1C)F 62a_100011205405_200000210301 [1,1,0,0,0,0|0,1,0]=3 3366 B10R1.25 CSc1ccc(cc1C)F 62a_200000210301_100011205405 [1,1,0,0,0,0|0,1,0]=3 3367 B10R1.25 CSc1ccc(cc1C)N 62a_100000210723_200000210301 [1,1,0,0,0,0|0,1,0]=3 3368 B10R1.25 CSc1ccc(cc1C)N 62a_200000210301_100000210723 [1,1,0,0,0,0|0,1,0]=3 3369 B10R1.25 CSc1ccc(cc1C)O 62a_200000210301_100000690111 [1,1,0,0,0,0|0,1,0]=3 3370 B10R1.25 CSc1ccc(cc1Cl)Br 62a_100011216062_200000210301 [1,1,0,0,0,0|1,1,0]=4 3371 B10R1.25 CSc1ccc(cc1Cl)Br 62a_200000210301_100011216062 [1,1,0,0,0,0|1,1,0]=4 3372 B10R1.25 CSc1ccc(cc1Cl)C 62a_100011263221_200000210301 [1,1,0,0,0,0|1,1,0]=4 3373 B10R1.25 CSc1ccc(cc1Cl)C 62a_200000210301_100011263221 [1,1,0,0,0,0|1,1,0]=4 3374 B10R1.25 CSc1ccc(cc1Cl)Cl 62a_100000699841_200000210301 [1,1,0,0,0,0|1,1,0]=4 3375 B10R1.25 CSc1ccc(cc1Cl)Cl 62a_200000210301_100000699841 [1,1,0,0,0,0|1,1,0]=4 3376 B10R1.25 CSc1ccc(cc1Cl)F 62a_100000733362_200000210301 [1,1,0,0,0,0|1,1,0]=4 3377 B10R1.25 CSc1ccc(cc1Cl)F 62a_200000210301_100000733362 [1,1,0,0,0,0|1,1,0]=4 3378 B10R1.25 CSc1ccc(cc1Cl)N 62a_100000761885_200000210301 [1,1,0,0,0,0|1,1,0]=4 3379 B10R1.25 CSc1ccc(cc1Cl)N 62a_200000210301_100000761885 [1,1,0,0,0,0|1,1,0]=4 3380 B10R1.25 CSc1ccc(cc1Cl)O 271570a_203496583355_206447510565 [1,1,0,0,0,0|1,1,0]=4 3381 B10R1.25 CSc1ccc(cc1Cl)O 62a_100000047559_200000210301 [1,1,0,0,0,0|1,1,0]=4 3382 B10R1.25 CSc1ccc(cc1Cl)O 62a_200000210301_100000047559 [1,1,0,0,0,0|1,1,0]=4 3383 B10R1.25 CSc1ccc(cc1F)Br 62a_100009814013_200000210301 [1,1,0,0,0,0|1,1,0]=4 3384 B10R1.25 CSc1ccc(cc1F)Br 62a_200000210301_100009814013 [1,1,0,0,0,0|1,1,0]=4 3385 B10R1.25 CSc1ccc(cc1F)C 62a_100011216119_200000210301 [1,1,0,0,0,0|1,1,0]=4 3386 B10R1.25 CSc1ccc(cc1F)C 62a_200000210301_100011216119 [1,1,0,0,0,0|1,1,0]=4 3387 B10R1.25 CSc1ccc(cc1F)Cl 62a_100011216042_200000210301 [1,1,0,0,0,0|1,1,0]=4 3388 B10R1.25 CSc1ccc(cc1F)Cl 62a_200000210301_100011216042 [1,1,0,0,0,0|1,1,0]=4 3389 B10R1.25 CSc1ccc(cc1F)F 62a_100000750030_200000210301 [1,1,0,0,0,0|1,1,0]=4 3390 B10R1.25 CSc1ccc(cc1F)F 62a_200000210301_100000750030 [1,1,0,0,0,0|1,1,0]=4 3391 B10R1.25 CSc1ccc(cc1F)N 62a_100011356925_200000210301 [1,1,0,0,0,0|1,1,0]=4 3392 B10R1.25 CSc1ccc(cc1F)N 62a_200000210301_100011356925 [1,1,0,0,0,0|1,1,0]=4 3393 B10R1.25 CSc1ccc(cc1F)O 271570a_203496583355_100010161220 [1,1,0,0,0,0|1,1,0]=4 3394 B10R1.25 CSc1ccc(cc1F)O 62a_100000755031_200000210301 [1,1,0,0,0,0|1,1,0]=4 3395 B10R1.25 CSc1ccc(cc1F)O 62a_200000210301_100000755031 [1,1,0,0,0,0|1,1,0]=4 3396 B10R1.25 CSc1ccc(cc1N)Br 62a_100000743836_200000210301 [1,1,0,0,0,0|1,1,0]=4 3397 B10R1.25 CSc1ccc(cc1N)Br 62a_200000210301_100000743836 [1,1,0,0,0,0|1,1,0]=4 3398 B10R1.25 CSc1ccc(cc1N)C 62a_100011216686_200000210301 [1,1,0,0,0,0|1,1,0]=4 3399 B10R1.25 CSc1ccc(cc1N)C 62a_200000210301_100011216686 [1,1,0,0,0,0|1,1,0]=4 3400 B10R1.25 CSc1ccc(cc1N)Cl 62a_100000761886_200000210301 [1,1,0,0,0,0|1,1,0]=4 3401 B10R1.25 CSc1ccc(cc1N)Cl 62a_200000210301_100000761886 [1,1,0,0,0,0|1,1,0]=4 3402 B10R1.25 CSc1ccc(cc1N)F 62a_100000687223_200000210301 [1,1,0,0,0,0|1,1,0]=4 3403 B10R1.25 CSc1ccc(cc1N)F 62a_200000210301_100000687223 [1,1,0,0,0,0|1,1,0]=4 3404 B10R1.25 CSc1ccc(cc1N)N 62a_200000210301_200012175722 [1,1,0,0,0,0|1,1,0]=4 3405 B10R1.25 CSc1ccc(cc1N)N 62a_200012175722_200000210301 [1,1,0,0,0,0|1,1,0]=4 3406 B10R1.25 CSc1ccc(cc1N)O 62a_100011999798_200000210301 [1,1,0,0,0,0|1,1,0]=4 3407 B10R1.25 CSc1ccc(cc1N)O 62a_200000210301_100011999798 [1,1,0,0,0,0|1,1,0]=4 3408 B10R1.25 CSc1ccc(cc1O)Br 62a_100012344904_200000210301 [1,1,0,0,0,0|0,1,0]=3 3409 B10R1.25 CSc1ccc(cc1O)Br 62a_200000210301_100012344904 [1,1,0,0,0,0|0,1,0]=3 3410 B10R1.25 CSc1ccc(cc1O)C 271570a_203496583355_200010201864 [1,1,0,0,0,0|0,1,0]=3 3411 B10R1.25 CSc1ccc(cc1O)C 62a_100012002257_200000210301 [1,1,0,0,0,0|0,1,0]=3 3412 B10R1.25 CSc1ccc(cc1O)C 62a_200000210301_100012002257 [1,1,0,0,0,0|0,1,0]=3 3413 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,1,0,0,0,0|0,1,0]=3 3414 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,1,0,0,0,0|0,1,0]=3 3415 B10R1.25 CSc1ccc(cc1O)F 271570a_203496583355_100009817003 [1,1,0,0,0,0|0,1,0]=3 3416 B10R1.25 CSc1ccc(cc1O)F 62a_100000690578_200000210301 [1,1,0,0,0,0|0,1,0]=3 3417 B10R1.25 CSc1ccc(cc1O)F 62a_200000210301_100000690578 [1,1,0,0,0,0|0,1,0]=3 3418 B10R1.25 CSc1ccc(cc1O)O 62a_200000210301_100009813921 [1,1,0,0,0,0|0,1,0]=3 3419 B10R1.25 CSc1ccc(nc1C)C 62a_100009813853_200000210301 [1,1,0,0,0,0|1,1,0]=4 3420 B10R1.25 CSc1ccc(nc1C)C 62a_200000210301_100009813853 [1,1,0,0,0,0|1,1,0]=4 3421 B10R1.25 CSc1ccc(nc1C)Cl 62a_100000062408_200000210301 [1,1,0,0,0,0|1,1,0]=4 3422 B10R1.25 CSc1ccc(nc1C)Cl 62a_200000210301_100000062408 [1,1,0,0,0,0|1,1,0]=4 3423 B10R1.25 CSc1ccc(nc1C)F 62a_100000688911_200000210301 [1,1,0,0,0,0|1,1,0]=4 3424 B10R1.25 CSc1ccc(nc1C)F 62a_200000210301_100000688911 [1,1,0,0,0,0|1,1,0]=4 3425 B10R1.25 CSc1ccc(nc1C)N 62a_100000187202_200000210301 [1,1,0,0,0,0|1,1,0]=4 3426 B10R1.25 CSc1ccc(nc1C)N 62a_200000210301_100000187202 [1,1,0,0,0,0|1,1,0]=4 3427 B10R1.25 CSc1ccc(nc1C)O 62a_100000691680_200000210301 [1,1,0,0,0,0|1,1,0]=4 3428 B10R1.25 CSc1ccc(nc1C)O 62a_200000210301_100000691680 [1,1,0,0,0,0|1,1,0]=4 3429 B10R1.25 CSc1ccc(nc1O)C 62a_100009817604_200000210301 [1,1,0,0,0,0|1,1,0]=4 3430 B10R1.25 CSc1ccc(nc1O)C 62a_200000210301_100009817604 [1,1,0,0,0,0|1,1,0]=4 3431 B10R1.25 CSc1cnc(cc1C)Br 62a_100009816104_200000210301 [1,1,0,0,0,0|1,1,0]=4 3432 B10R1.25 CSc1cnc(cc1C)Br 62a_200000210301_100009816104 [1,1,0,0,0,0|1,1,0]=4 3433 B10R1.25 CSc1cnc(cc1C)C 62a_100009819613_200000210301 [1,1,0,0,0,0|1,1,0]=4 3434 B10R1.25 CSc1cnc(cc1C)C 62a_200000210301_100009819613 [1,1,0,0,0,0|1,1,0]=4 3435 B10R1.25 CSc1cnc(cc1C)Cl 62a_100010172789_200000210301 [1,1,0,0,0,0|1,1,0]=4 3436 B10R1.25 CSc1cnc(cc1C)Cl 62a_200000210301_100010172789 [1,1,0,0,0,0|1,1,0]=4 3437 B10R1.25 CSc1cnc(cc1C)F 62a_100009820716_200000210301 [1,1,0,0,0,0|1,1,0]=4 3438 B10R1.25 CSc1cnc(cc1C)F 62a_200000210301_100009820716 [1,1,0,0,0,0|1,1,0]=4 3439 B10R1.25 CSc1cnc(cc1C)N 62a_100000050067_200000210301 [1,1,0,0,0,0|1,1,0]=4 3440 B10R1.25 CSc1cnc(cc1C)N 62a_200000210301_100000050067 [1,1,0,0,0,0|1,1,0]=4 3441 B10R1.25 CSc1cnc(cc1C)O 62a_100000766222_200000210301 [1,1,0,0,0,0|1,1,0]=4 3442 B10R1.25 CSc1cnc(cc1C)O 62a_200000210301_100000766222 [1,1,0,0,0,0|1,1,0]=4 3443 B10R1.25 CSc1cnc(cc1O)C 62a_100011016184_200000210301 [1,1,0,0,0,0|1,1,0]=4 3444 B10R1.25 CSc1cnc(cc1O)C 62a_200000210301_100011016184 [1,1,0,0,0,0|1,1,0]=4 3445 B10R1.25 CSc1ncc(cc1C)Br 62a_100012353652_200000210301 [1,1,0,0,0,0|1,1,0]=4 3446 B10R1.25 CSc1ncc(cc1C)Br 62a_200000210301_100012353652 [1,1,0,0,0,0|1,1,0]=4 3447 B10R1.25 CSc1ncc(cc1C)C 62a_100009864548_200000210301 [1,1,0,0,0,0|1,1,0]=4 3448 B10R1.25 CSc1ncc(cc1C)C 62a_200000210301_100009864548 [1,1,0,0,0,0|1,1,0]=4 3449 B10R1.25 CSc1ncc(cc1C)F 62a_100009817009_200000210301 [1,1,0,0,0,0|1,1,0]=4 3450 B10R1.25 CSc1ncc(cc1C)F 62a_200000210301_100009817009 [1,1,0,0,0,0|1,1,0]=4 3451 B10R1.25 CSc1ncc(cc1C)N 62a_100000761747_200000210301 [1,1,0,0,0,0|1,1,0]=4 3452 B10R1.25 CSc1ncc(cc1C)N 62a_200000210301_100000761747 [1,1,0,0,0,0|1,1,0]=4 3453 B10R1.25 CSc1ncc(cc1C)O 62a_100012000486_200000210301 [1,1,0,0,0,0|1,1,0]=4 3454 B10R1.25 CSc1ncc(cc1C)O 62a_200000210301_100012000486 [1,1,0,0,0,0|1,1,0]=4 3455 B10R1.25 CSc1ncc(cc1O)Br 62a_100010210634_200000210301 [1,1,0,0,0,0|1,1,0]=4 3456 B10R1.25 CSc1ncc(cc1O)Br 62a_200000210301_100010210634 [1,1,0,0,0,0|1,1,0]=4 3457 B10R1.25 CSc1ncc(cc1O)C 62a_200000210301_100012000487 [1,1,0,0,0,0|1,1,0]=4 3458 B10R1.25 CSc1ncc(cc1O)Cl 62a_100010233512_200000210301 [1,1,0,0,0,0|1,1,0]=4 3459 B10R1.25 CSc1ncc(cc1O)Cl 62a_200000210301_100010233512 [1,1,0,0,0,0|1,1,0]=4 3460 B10R1.25 CSc1ncc(cc1O)F 62a_100009820119_200000210301 [1,1,0,0,0,0|1,1,0]=4 3461 B10R1.25 CSc1ncc(cc1O)F 62a_200000210301_100000079967 [1,1,0,0,0,0|1,1,0]=4 3462 B10R1.25 Cc1c[n+](ccc1S[13CH3])[O-] 62a_200025704644_100000074940 [1,1,0,0,0,0|1,1,0]=4 3463 B10R1.25 Cc1cc(=O)c(co1)O[13CH3] 34a_100000081520_200025704644 [1,1,0,0,0,0|1,0,1]=4 3464 B10R1.25 Cc1cc(c(cn1)O[13CH3])Br 34a_100009843476_200025704644 [1,1,0,0,0,0|2,0,0]=4 3465 B10R1.25 Cc1cc(c(cn1)O[13CH3])Br 7a_100009843476_200025704644 [1,1,0,0,0,0|2,0,0]=4 3466 B10R1.25 Cc1cc(c(cn1)O[13CH3])C 34a_200000068632_200025704644 [1,1,0,0,0,0|1,0,0]=3 3467 B10R1.25 Cc1cc(c(cn1)O[13CH3])C 7a_200000068632_200025704644 [1,1,0,0,0,0|1,0,0]=3 3468 B10R1.25 Cc1cc(c(cn1)S[13CH3])C 62a_100009819613_200025704644 [1,1,0,0,0,0|1,1,0]=4 3469 B10R1.25 Cc1cc(c(cn1)S[13CH3])C 62a_200025704644_100009819613 [1,1,0,0,0,0|1,1,0]=4 3470 B10R1.25 Cc1cc(c(cn1)S[13CH3])O 62a_100011016184_200025704644 [1,1,0,0,0,0|1,1,0]=4 3471 B10R1.25 Cc1cc(c(cn1)S[13CH3])O 62a_200025704644_100011016184 [1,1,0,0,0,0|1,1,0]=4 3472 B10R1.25 Cc1cc(ccc1C#N)O 271570a_203496583355_100000687762 [1,1,0,0,0,0|2,0,0]=4 3473 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,1,0,0,0,0|2,0,0]=4 3474 B10R1.25 Cc1cc(ccc1CF)O 271570a_203496583355_200010711859 [1,1,0,0,0,0|2,0,0]=4 3475 B10R1.25 Cc1cc(ccc1CN)O 271570a_203496583355_100000753881 [1,1,0,0,0,0|2,0,0]=4 3476 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [1,1,0,0,0,0|2,0,0]=4 3477 B10R1.25 Cc1cc(ccc1NN)O 271570a_203496583355_100000751375 [1,1,0,0,0,0|2,0,0]=4 3478 B10R1.25 Cc1cc(ccc1N[13CH3])Br 34a_100000211769_200025704644 [1,1,0,0,0,0|1,0,0]=3 3479 B10R1.25 Cc1cc(ccc1N[13CH3])Br 7a_100000211769_200025704644 [1,1,0,0,0,0|1,0,0]=3 3480 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 34a_100000210418_200025704644 [1,1,0,0,0,0|1,0,0]=3 3481 B10R1.25 Cc1cc(ccc1N[13CH3])Cl 7a_100000210418_200025704644 [1,1,0,0,0,0|1,0,0]=3 3482 B10R1.25 Cc1cc(ccc1N[13CH3])F 34a_100000211637_200025704644 [1,1,0,0,0,0|1,0,0]=3 3483 B10R1.25 Cc1cc(ccc1N[13CH3])F 7a_100000211637_200025704644 [1,1,0,0,0,0|1,0,0]=3 3484 B10R1.25 Cc1cc(ccc1N[13CH3])I 34a_100000184554_200025704644 [1,1,0,0,0,0|1,0,0]=3 3485 B10R1.25 Cc1cc(ccc1N[13CH3])I 7a_100000184554_200025704644 [1,1,0,0,0,0|1,0,0]=3 3486 B10R1.25 Cc1cc(ccc1N[13CH3])O 34a_100000756630_200025704644 [1,1,0,0,0,0|1,0,0]=3 3487 B10R1.25 Cc1cc(ccc1O[13CH3])Br 34a_100000186361_200025704644 [1,1,0,0,0,0|0,0,0]=2 3488 B10R1.25 Cc1cc(ccc1O[13CH3])Br 7a_100000186361_200025704644 [1,1,0,0,0,0|0,0,0]=2 3489 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 34a_100000211091_200025704644 [1,1,0,0,0,0|0,0,0]=2 3490 B10R1.25 Cc1cc(ccc1O[13CH3])Cl 7a_100000211091_200025704644 [1,1,0,0,0,0|0,0,0]=2 3491 B10R1.25 Cc1cc(ccc1O[13CH3])F 34a_100000764316_200025704644 [1,1,0,0,0,0|0,0,0]=2 3492 B10R1.25 Cc1cc(ccc1O[13CH3])F 7a_100000764316_200025704644 [1,1,0,0,0,0|0,0,0]=2 3493 B10R1.25 Cc1cc(ccc1O[13CH3])I 34a_100011218673_200025704644 [1,1,0,0,0,0|0,0,0]=2 3494 B10R1.25 Cc1cc(ccc1O[13CH3])I 7a_100011218673_200025704644 [1,1,0,0,0,0|0,0,0]=2 3495 B10R1.25 Cc1cc(ccc1O[13CH3])N 34a_100011218179_200025704644 [1,1,0,0,0,0|0,0,0]=2 3496 B10R1.25 Cc1cc(ccc1O[13CH3])N 7a_100011218179_200025704644 [1,1,0,0,0,0|0,0,0]=2 3497 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_100000701812_200025704644 [1,1,0,0,0,0|0,1,0]=3 3498 B10R1.25 Cc1cc(ccc1S[13CH3])Br 62a_200025704644_100000701812 [1,1,0,0,0,0|0,1,0]=3 3499 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_100011219607_200025704644 [1,1,0,0,0,0|0,1,0]=3 3500 B10R1.25 Cc1cc(ccc1S[13CH3])Cl 62a_200025704644_100011219607 [1,1,0,0,0,0|0,1,0]=3 3501 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_100011205405_200025704644 [1,1,0,0,0,0|0,1,0]=3 3502 B10R1.25 Cc1cc(ccc1S[13CH3])F 62a_200025704644_100011205405 [1,1,0,0,0,0|0,1,0]=3 3503 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_100000210723_200025704644 [1,1,0,0,0,0|0,1,0]=3 3504 B10R1.25 Cc1cc(ccc1S[13CH3])N 62a_200025704644_100000210723 [1,1,0,0,0,0|0,1,0]=3 3505 B10R1.25 Cc1cc(ccc1S[13CH3])O 62a_200025704644_100000690111 [1,1,0,0,0,0|0,1,0]=3 3506 B10R1.25 Cc1cc(cnc1O[13CH3])Br 34a_100000685391_200025704644 [1,1,0,0,0,0|1,0,0]=3 3507 B10R1.25 Cc1cc(cnc1S[13CH3])Br 62a_100012353652_200025704644 [1,1,0,0,0,0|1,1,0]=4 3508 B10R1.25 Cc1cc(cnc1S[13CH3])Br 62a_200025704644_100012353652 [1,1,0,0,0,0|1,1,0]=4 3509 B10R1.25 Cc1cc(cnc1S[13CH3])F 62a_100009817009_200025704644 [1,1,0,0,0,0|1,1,0]=4 3510 B10R1.25 Cc1cc(cnc1S[13CH3])F 62a_200025704644_100009817009 [1,1,0,0,0,0|1,1,0]=4 3511 B10R1.25 Cc1cc(cnc1S[13CH3])N 62a_100000761747_200025704644 [1,1,0,0,0,0|1,1,0]=4 3512 B10R1.25 Cc1cc(cnc1S[13CH3])N 62a_200025704644_100000761747 [1,1,0,0,0,0|1,1,0]=4 3513 B10R1.25 Cc1cc(cnc1S[13CH3])O 62a_100012000486_200025704644 [1,1,0,0,0,0|1,1,0]=4 3514 B10R1.25 Cc1cc(cnc1S[13CH3])O 62a_200025704644_100012000486 [1,1,0,0,0,0|1,1,0]=4 3515 B10R1.25 Cc1cc(ncc1O[13CH3])Cl 34a_100000692680_200025704644 [1,1,0,0,0,0|1,0,0]=3 3516 B10R1.25 Cc1cc(ncc1O[13CH3])Cl 7a_100000692680_200025704644 [1,1,0,0,0,0|1,0,0]=3 3517 B10R1.25 Cc1cc(ncc1O[13CH3])F 34a_100009856773_200025704644 [1,1,0,0,0,0|1,0,0]=3 3518 B10R1.25 Cc1cc(ncc1O[13CH3])F 7a_100009856773_200025704644 [1,1,0,0,0,0|1,0,0]=3 3519 B10R1.25 Cc1cc(ncc1S[13CH3])Br 62a_100009816104_200025704644 [1,1,0,0,0,0|1,1,0]=4 3520 B10R1.25 Cc1cc(ncc1S[13CH3])Br 62a_200025704644_100009816104 [1,1,0,0,0,0|1,1,0]=4 3521 B10R1.25 Cc1cc(ncc1S[13CH3])Cl 62a_100010172789_200025704644 [1,1,0,0,0,0|1,1,0]=4 3522 B10R1.25 Cc1cc(ncc1S[13CH3])Cl 62a_200025704644_100010172789 [1,1,0,0,0,0|1,1,0]=4 3523 B10R1.25 Cc1cc(ncc1S[13CH3])F 62a_100009820716_200025704644 [1,1,0,0,0,0|1,1,0]=4 3524 B10R1.25 Cc1cc(ncc1S[13CH3])F 62a_200025704644_100009820716 [1,1,0,0,0,0|1,1,0]=4 3525 B10R1.25 Cc1cc(ncc1S[13CH3])N 62a_100000050067_200025704644 [1,1,0,0,0,0|1,1,0]=4 3526 B10R1.25 Cc1cc(ncc1S[13CH3])N 62a_200025704644_100000050067 [1,1,0,0,0,0|1,1,0]=4 3527 B10R1.25 Cc1cc(ncc1S[13CH3])O 62a_100000766222_200025704644 [1,1,0,0,0,0|1,1,0]=4 3528 B10R1.25 Cc1cc(ncc1S[13CH3])O 62a_200025704644_100000766222 [1,1,0,0,0,0|1,1,0]=4 3529 B10R1.25 Cc1ccc(c(c1)Br)N[13CH3] 34a_100000210942_200025704644 [1,1,0,0,0,0|2,0,0]=4 3530 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 34a_100000210800_200025704644 [1,1,0,0,0,0|1,0,0]=3 3531 B10R1.25 Cc1ccc(c(c1)Br)O[13CH3] 7a_100000210800_200025704644 [1,1,0,0,0,0|1,0,0]=3 3532 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_100009813563_200025704644 [1,1,0,0,0,0|1,1,0]=4 3533 B10R1.25 Cc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100009813563 [1,1,0,0,0,0|1,1,0]=4 3534 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 34a_100000736561_200025704644 [1,1,0,0,0,0|1,0,0]=3 3535 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 7a_100000736561_200025704644 [1,1,0,0,0,0|1,0,0]=3 3536 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 34a_100000211776_200025704644 [1,1,0,0,0,0|0,0,0]=2 3537 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 7a_100000211776_200025704644 [1,1,0,0,0,0|0,0,0]=2 3538 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_100011217332_200025704644 [1,1,0,0,0,0|0,1,0]=3 3539 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011217332 [1,1,0,0,0,0|0,1,0]=3 3540 B10R1.25 Cc1ccc(c(c1)Cl)N[13CH3] 34a_100000210522_200025704644 [1,1,0,0,0,0|2,0,0]=4 3541 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 34a_100000749699_200025704644 [1,1,0,0,0,0|1,0,0]=3 3542 B10R1.25 Cc1ccc(c(c1)Cl)O[13CH3] 7a_100000749699_200025704644 [1,1,0,0,0,0|1,0,0]=3 3543 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_100011263221_200025704644 [1,1,0,0,0,0|1,1,0]=4 3544 B10R1.25 Cc1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100011263221 [1,1,0,0,0,0|1,1,0]=4 3545 B10R1.25 Cc1ccc(c(c1)F)N[13CH3] 34a_100000211023_200025704644 [1,1,0,0,0,0|2,0,0]=4 3546 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 34a_100011216688_200025704644 [1,1,0,0,0,0|1,0,0]=3 3547 B10R1.25 Cc1ccc(c(c1)F)O[13CH3] 7a_100011216688_200025704644 [1,1,0,0,0,0|1,0,0]=3 3548 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_100011216119_200025704644 [1,1,0,0,0,0|1,1,0]=4 3549 B10R1.25 Cc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011216119 [1,1,0,0,0,0|1,1,0]=4 3550 B10R1.25 Cc1ccc(c(c1)I)N[13CH3] 34a_100011356834_200025704644 [1,1,0,0,0,0|2,0,0]=4 3551 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 34a_100000765521_200025704644 [1,1,0,0,0,0|1,0,0]=3 3552 B10R1.25 Cc1ccc(c(c1)I)O[13CH3] 7a_100000765521_200025704644 [1,1,0,0,0,0|1,0,0]=3 3553 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 34a_100011215204_200025704644 [1,1,0,0,0,0|1,0,0]=3 3554 B10R1.25 Cc1ccc(c(c1)N)O[13CH3] 7a_100011215204_200025704644 [1,1,0,0,0,0|1,0,0]=3 3555 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_100011216686_200025704644 [1,1,0,0,0,0|1,1,0]=4 3556 B10R1.25 Cc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011216686 [1,1,0,0,0,0|1,1,0]=4 3557 B10R1.25 Cc1ccc(c(c1)O)C#N 271570a_203496583355_100000693804 [1,1,0,0,0,0|2,0,0]=4 3558 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,1,0,0,0,0|2,0,0]=4 3559 B10R1.25 Cc1ccc(c(c1)O)NN 271570a_203496583355_100016996181 [1,1,0,0,0,0|2,0,0]=4 3560 B10R1.25 Cc1ccc(c(c1)O)N[13CH3] 34a_100000211527_200025704644 [1,1,0,0,0,0|1,0,0]=3 3561 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_100012002257_200025704644 [1,1,0,0,0,0|0,1,0]=3 3562 B10R1.25 Cc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012002257 [1,1,0,0,0,0|0,1,0]=3 3563 B10R1.25 Cc1ccc(c(n1)Br)O[13CH3] 34a_100000702858_200025704644 [1,1,0,0,0,0|2,0,0]=4 3564 B10R1.25 Cc1ccc(c(n1)Br)O[13CH3] 7a_100000702858_200025704644 [1,1,0,0,0,0|2,0,0]=4 3565 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 34a_100011218912_200025704644 [1,1,0,0,0,0|1,0,0]=3 3566 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 7a_100011218912_200025704644 [1,1,0,0,0,0|1,0,0]=3 3567 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_100009813853_200025704644 [1,1,0,0,0,0|1,1,0]=4 3568 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100009813853 [1,1,0,0,0,0|1,1,0]=4 3569 B10R1.25 Cc1ccc(c(n1)Cl)O[13CH3] 34a_100000086286_200025704644 [1,1,0,0,0,0|2,0,0]=4 3570 B10R1.25 Cc1ccc(c(n1)Cl)O[13CH3] 7a_100000086286_200025704644 [1,1,0,0,0,0|2,0,0]=4 3571 B10R1.25 Cc1ccc(c(n1)F)O[13CH3] 34a_100000079963_200025704644 [1,1,0,0,0,0|2,0,0]=4 3572 B10R1.25 Cc1ccc(c(n1)F)O[13CH3] 7a_100000079963_200025704644 [1,1,0,0,0,0|2,0,0]=4 3573 B10R1.25 Cc1ccc(c(n1)I)O[13CH3] 34a_100000023897_200025704644 [1,1,0,0,0,0|2,0,0]=4 3574 B10R1.25 Cc1ccc(c(n1)I)O[13CH3] 7a_100000023897_200025704644 [1,1,0,0,0,0|2,0,0]=4 3575 B10R1.25 Cc1ccc(c(n1)N)O[13CH3] 34a_100000694039_200025704644 [1,1,0,0,0,0|2,0,0]=4 3576 B10R1.25 Cc1ccc(c(n1)N)O[13CH3] 7a_100000694039_200025704644 [1,1,0,0,0,0|2,0,0]=4 3577 B10R1.25 Cc1ccc(c(n1)O)S[13CH3] 62a_100009817604_200025704644 [1,1,0,0,0,0|1,1,0]=4 3578 B10R1.25 Cc1ccc(c(n1)O)S[13CH3] 62a_200025704644_100009817604 [1,1,0,0,0,0|1,1,0]=4 3579 B10R1.25 Cc1cnc(c(c1)Br)O[13CH3] 34a_100000719714_200025704644 [1,1,0,0,0,0|2,0,0]=4 3580 B10R1.25 Cc1cnc(c(c1)C)S[13CH3] 62a_100009864548_200025704644 [1,1,0,0,0,0|1,1,0]=4 3581 B10R1.25 Cc1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864548 [1,1,0,0,0,0|1,1,0]=4 3582 B10R1.25 Cc1cnc(c(c1)N)O[13CH3] 34a_100012000488_200025704644 [1,1,0,0,0,0|2,0,0]=4 3583 B10R1.25 Cc1cnc(c(c1)O)S[13CH3] 62a_200025704644_100012000487 [1,1,0,0,0,0|1,1,0]=4 3584 B10R1.25 Cc1nc(ccc1O[13CH3])Br 34a_100012002022_200025704644 [1,1,0,0,0,0|1,0,0]=3 3585 B10R1.25 Cc1nc(ccc1O[13CH3])Br 7a_100012002022_200025704644 [1,1,0,0,0,0|1,0,0]=3 3586 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 34a_100012184626_200025704644 [1,1,0,0,0,0|1,0,0]=3 3587 B10R1.25 Cc1nc(ccc1O[13CH3])Cl 7a_100012184626_200025704644 [1,1,0,0,0,0|1,0,0]=3 3588 B10R1.25 Cc1nc(ccc1O[13CH3])F 34a_100009881036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3589 B10R1.25 Cc1nc(ccc1O[13CH3])F 7a_100009881036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3590 B10R1.25 Cc1nc(ccc1O[13CH3])I 34a_100010233687_200025704644 [1,1,0,0,0,0|1,0,0]=3 3591 B10R1.25 Cc1nc(ccc1O[13CH3])I 7a_100010233687_200025704644 [1,1,0,0,0,0|1,0,0]=3 3592 B10R1.25 Cc1nc(ccc1S[13CH3])Cl 62a_100000062408_200025704644 [1,1,0,0,0,0|1,1,0]=4 3593 B10R1.25 Cc1nc(ccc1S[13CH3])Cl 62a_200025704644_100000062408 [1,1,0,0,0,0|1,1,0]=4 3594 B10R1.25 Cc1nc(ccc1S[13CH3])F 62a_100000688911_200025704644 [1,1,0,0,0,0|1,1,0]=4 3595 B10R1.25 Cc1nc(ccc1S[13CH3])F 62a_200025704644_100000688911 [1,1,0,0,0,0|1,1,0]=4 3596 B10R1.25 Cc1nc(ccc1S[13CH3])N 62a_100000187202_200025704644 [1,1,0,0,0,0|1,1,0]=4 3597 B10R1.25 Cc1nc(ccc1S[13CH3])N 62a_200025704644_100000187202 [1,1,0,0,0,0|1,1,0]=4 3598 B10R1.25 Cc1nc(ccc1S[13CH3])O 62a_100000691680_200025704644 [1,1,0,0,0,0|1,1,0]=4 3599 B10R1.25 Cc1nc(ccc1S[13CH3])O 62a_200025704644_100000691680 [1,1,0,0,0,0|1,1,0]=4 3600 B10R1.25 Cc1ncc(c(n1)C)O[13CH3] 34a_100009864123_200025704644 [1,1,0,0,0,0|2,0,0]=4 3601 B10R1.25 Cc1ncc(c(n1)C)O[13CH3] 7a_100009864123_200025704644 [1,1,0,0,0,0|2,0,0]=4 3602 B10R1.25 N#Cc1ccc(cc1O)Br 271570a_203496583355_100010214477 [1,1,0,0,0,0|2,0,0]=4 3603 B10R1.25 N#Cc1ccc(cc1O)Cl 271570a_203496583355_100012355178 [1,1,0,0,0,0|2,0,0]=4 3604 B10R1.25 N#Cc1ccc(cc1O)F 271570a_203496583355_100000747196 [1,1,0,0,0,0|2,0,0]=4 3605 B10R1.25 N#Cc1ccc(cc1O)N 271570a_203496583355_100000689153 [1,1,0,0,0,0|2,0,0]=4 3606 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100011934713 [1,1,0,0,0,0|2,0,0]=4 3607 B10R1.25 N#Cc1ccc(cc1O)O 271570a_203496583355_100012184851 [1,1,0,0,0,0|2,0,0]=4 3608 B10R1.25 NCc1ccc(cc1O)F 271570a_203496583355_100000708791 [1,1,0,0,0,0|2,0,0]=4 3609 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,1,0,0,0,0|2,0,0]=4 3610 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,1,0,0,0,0|2,0,0]=4 3611 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,1,0,0,0,0|2,0,0]=4 3612 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,1,0,0,0,0|2,0,0]=4 3613 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,1,0,0,0,0|2,0,0]=4 3614 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,1,0,0,0,0|2,0,0]=4 3615 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,1,0,0,0,0|2,0,0]=4 3616 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,1,0,0,0,0|2,0,0]=4 3617 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,1,0,0,0,0|2,0,0]=4 3618 B10R1.25 [13CH3]Nc1ccc(cc1Br)Br 34a_100000211012_200025704644 [1,1,0,0,0,0|2,0,0]=4 3619 B10R1.25 [13CH3]Nc1ccc(cc1Br)Cl 34a_100000752454_200025704644 [1,1,0,0,0,0|2,0,0]=4 3620 B10R1.25 [13CH3]Nc1ccc(cc1Br)F 34a_100000738039_200025704644 [1,1,0,0,0,0|2,0,0]=4 3621 B10R1.25 [13CH3]Nc1ccc(cc1Br)O 34a_100012001276_200025704644 [1,1,0,0,0,0|2,0,0]=4 3622 B10R1.25 [13CH3]Nc1ccc(cc1Cl)Br 34a_100000211467_200025704644 [1,1,0,0,0,0|2,0,0]=4 3623 B10R1.25 [13CH3]Nc1ccc(cc1Cl)Cl 34a_100000185861_200025704644 [1,1,0,0,0,0|2,0,0]=4 3624 B10R1.25 [13CH3]Nc1ccc(cc1Cl)F 34a_100000212003_200025704644 [1,1,0,0,0,0|2,0,0]=4 3625 B10R1.25 [13CH3]Nc1ccc(cc1Cl)I 34a_100011218065_200025704644 [1,1,0,0,0,0|2,0,0]=4 3626 B10R1.25 [13CH3]Nc1ccc(cc1Cl)O 34a_100011215599_200025704644 [1,1,0,0,0,0|2,0,0]=4 3627 B10R1.25 [13CH3]Nc1ccc(cc1F)Br 34a_100000210722_200025704644 [1,1,0,0,0,0|2,0,0]=4 3628 B10R1.25 [13CH3]Nc1ccc(cc1F)Cl 34a_100000211020_200025704644 [1,1,0,0,0,0|2,0,0]=4 3629 B10R1.25 [13CH3]Nc1ccc(cc1F)F 34a_100000210720_200025704644 [1,1,0,0,0,0|2,0,0]=4 3630 B10R1.25 [13CH3]Nc1ccc(cc1F)I 34a_100011215594_200025704644 [1,1,0,0,0,0|2,0,0]=4 3631 B10R1.25 [13CH3]Nc1ccc(cc1F)O 34a_100000759473_200025704644 [1,1,0,0,0,0|2,0,0]=4 3632 B10R1.25 [13CH3]Nc1ccc(cc1I)Br 34a_100000187925_200025704644 [1,1,0,0,0,0|2,0,0]=4 3633 B10R1.25 [13CH3]Nc1ccc(cc1I)Cl 34a_100000761889_200025704644 [1,1,0,0,0,0|2,0,0]=4 3634 B10R1.25 [13CH3]Nc1ccc(cc1I)F 34a_100000760547_200025704644 [1,1,0,0,0,0|2,0,0]=4 3635 B10R1.25 [13CH3]Nc1ccc(cc1I)O 34a_100010084370_200025704644 [1,1,0,0,0,0|2,0,0]=4 3636 B10R1.25 [13CH3]Nc1ccc(cc1O)Br 34a_100000739049_200025704644 [1,1,0,0,0,0|1,0,0]=3 3637 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [1,1,0,0,0,0|1,0,0]=3 3638 B10R1.25 [13CH3]Nc1ccc(cc1O)F 34a_100000753323_200025704644 [1,1,0,0,0,0|1,0,0]=3 3639 B10R1.25 [13CH3]Nc1ccc(cc1O)O 34a_100000106777_200025704644 [1,1,0,0,0,0|1,0,0]=3 3640 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 34a_100000188717_200025704644 [1,1,0,0,0,0|1,0,0]=3 3641 B10R1.25 [13CH3]Oc1ccc(cc1Br)Br 7a_100000188717_200025704644 [1,1,0,0,0,0|1,0,0]=3 3642 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 34a_100000211998_200025704644 [1,1,0,0,0,0|1,0,0]=3 3643 B10R1.25 [13CH3]Oc1ccc(cc1Br)Cl 7a_100000211998_200025704644 [1,1,0,0,0,0|1,0,0]=3 3644 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 34a_100000211999_200025704644 [1,1,0,0,0,0|1,0,0]=3 3645 B10R1.25 [13CH3]Oc1ccc(cc1Br)F 7a_100000211999_200025704644 [1,1,0,0,0,0|1,0,0]=3 3646 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 34a_100012361655_200025704644 [1,1,0,0,0,0|1,0,0]=3 3647 B10R1.25 [13CH3]Oc1ccc(cc1Br)I 7a_100012361655_200025704644 [1,1,0,0,0,0|1,0,0]=3 3648 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 34a_100011534360_200025704644 [1,1,0,0,0,0|1,0,0]=3 3649 B10R1.25 [13CH3]Oc1ccc(cc1Br)N 7a_100011534360_200025704644 [1,1,0,0,0,0|1,0,0]=3 3650 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 34a_100000186472_200025704644 [1,1,0,0,0,0|1,0,0]=3 3651 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Br 7a_100000186472_200025704644 [1,1,0,0,0,0|1,0,0]=3 3652 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 34a_100015191787_200025704644 [1,1,0,0,0,0|1,0,0]=3 3653 B10R1.25 [13CH3]Oc1ccc(cc1Cl)Cl 7a_100015191787_200025704644 [1,1,0,0,0,0|1,0,0]=3 3654 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 34a_100000212004_200025704644 [1,1,0,0,0,0|1,0,0]=3 3655 B10R1.25 [13CH3]Oc1ccc(cc1Cl)F 7a_100000212004_200025704644 [1,1,0,0,0,0|1,0,0]=3 3656 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 34a_100012360047_200025704644 [1,1,0,0,0,0|1,0,0]=3 3657 B10R1.25 [13CH3]Oc1ccc(cc1Cl)I 7a_100012360047_200025704644 [1,1,0,0,0,0|1,0,0]=3 3658 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 34a_100000744943_200025704644 [1,1,0,0,0,0|1,0,0]=3 3659 B10R1.25 [13CH3]Oc1ccc(cc1Cl)N 7a_100000744943_200025704644 [1,1,0,0,0,0|1,0,0]=3 3660 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 34a_100000185481_200025704644 [1,1,0,0,0,0|1,0,0]=3 3661 B10R1.25 [13CH3]Oc1ccc(cc1F)Br 7a_100000185481_200025704644 [1,1,0,0,0,0|1,0,0]=3 3662 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 34a_100000230166_200025704644 [1,1,0,0,0,0|1,0,0]=3 3663 B10R1.25 [13CH3]Oc1ccc(cc1F)Cl 7a_100000230166_200025704644 [1,1,0,0,0,0|1,0,0]=3 3664 B10R1.25 [13CH3]Oc1ccc(cc1F)F 34a_100000230127_200025704644 [1,1,0,0,0,0|1,0,0]=3 3665 B10R1.25 [13CH3]Oc1ccc(cc1F)F 7a_100000230127_200025704644 [1,1,0,0,0,0|1,0,0]=3 3666 B10R1.25 [13CH3]Oc1ccc(cc1F)I 34a_100011356965_200025704644 [1,1,0,0,0,0|1,0,0]=3 3667 B10R1.25 [13CH3]Oc1ccc(cc1F)I 7a_100011356965_200025704644 [1,1,0,0,0,0|1,0,0]=3 3668 B10R1.25 [13CH3]Oc1ccc(cc1F)N 34a_100011220035_200025704644 [1,1,0,0,0,0|1,0,0]=3 3669 B10R1.25 [13CH3]Oc1ccc(cc1F)N 7a_100011220035_200025704644 [1,1,0,0,0,0|1,0,0]=3 3670 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 34a_100012355227_200025704644 [1,1,0,0,0,0|1,0,0]=3 3671 B10R1.25 [13CH3]Oc1ccc(cc1I)Br 7a_100012355227_200025704644 [1,1,0,0,0,0|1,0,0]=3 3672 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 34a_100011356953_200025704644 [1,1,0,0,0,0|1,0,0]=3 3673 B10R1.25 [13CH3]Oc1ccc(cc1I)Cl 7a_100011356953_200025704644 [1,1,0,0,0,0|1,0,0]=3 3674 B10R1.25 [13CH3]Oc1ccc(cc1I)F 34a_100012355409_200025704644 [1,1,0,0,0,0|1,0,0]=3 3675 B10R1.25 [13CH3]Oc1ccc(cc1I)F 7a_100012355409_200025704644 [1,1,0,0,0,0|1,0,0]=3 3676 B10R1.25 [13CH3]Oc1ccc(cc1I)I 7a_100010001573_200025704644 [1,1,0,0,0,0|1,0,0]=3 3677 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 34a_100000752626_200025704644 [1,1,0,0,0,0|1,0,0]=3 3678 B10R1.25 [13CH3]Oc1ccc(cc1N)Br 7a_100000752626_200025704644 [1,1,0,0,0,0|1,0,0]=3 3679 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 34a_100000210500_200025704644 [1,1,0,0,0,0|1,0,0]=3 3680 B10R1.25 [13CH3]Oc1ccc(cc1N)Cl 7a_100000210500_200025704644 [1,1,0,0,0,0|1,0,0]=3 3681 B10R1.25 [13CH3]Oc1ccc(cc1N)F 34a_100000759472_200025704644 [1,1,0,0,0,0|1,0,0]=3 3682 B10R1.25 [13CH3]Oc1ccc(cc1N)F 7a_100000759472_200025704644 [1,1,0,0,0,0|1,0,0]=3 3683 B10R1.25 [13CH3]Oc1ccc(cc1N)I 34a_100000753495_200025704644 [1,1,0,0,0,0|1,0,0]=3 3684 B10R1.25 [13CH3]Oc1ccc(cc1N)I 7a_100000753495_200025704644 [1,1,0,0,0,0|1,0,0]=3 3685 B10R1.25 [13CH3]Oc1ccc(cc1N)N 34a_100000725306_200025704644 [1,1,0,0,0,0|1,0,0]=3 3686 B10R1.25 [13CH3]Oc1ccc(nc1Br)Br 34a_100009999766_200025704644 [1,1,0,0,0,0|2,0,0]=4 3687 B10R1.25 [13CH3]Oc1ccc(nc1Br)Br 7a_100009999766_200025704644 [1,1,0,0,0,0|2,0,0]=4 3688 B10R1.25 [13CH3]Oc1ccc(nc1Br)Cl 34a_100010219353_200025704644 [1,1,0,0,0,0|2,0,0]=4 3689 B10R1.25 [13CH3]Oc1ccc(nc1Br)Cl 7a_100010219353_200025704644 [1,1,0,0,0,0|2,0,0]=4 3690 B10R1.25 [13CH3]Oc1ccc(nc1Br)F 34a_100009887730_200025704644 [1,1,0,0,0,0|2,0,0]=4 3691 B10R1.25 [13CH3]Oc1ccc(nc1Br)F 7a_100009887730_200025704644 [1,1,0,0,0,0|2,0,0]=4 3692 B10R1.25 [13CH3]Oc1ccc(nc1Br)I 34a_100000725334_200025704644 [1,1,0,0,0,0|2,0,0]=4 3693 B10R1.25 [13CH3]Oc1ccc(nc1Br)I 7a_100000725334_200025704644 [1,1,0,0,0,0|2,0,0]=4 3694 B10R1.25 [13CH3]Oc1ccc(nc1Cl)Br 34a_100010246206_200025704644 [1,1,0,0,0,0|2,0,0]=4 3695 B10R1.25 [13CH3]Oc1ccc(nc1Cl)Br 7a_100010246206_200025704644 [1,1,0,0,0,0|2,0,0]=4 3696 B10R1.25 [13CH3]Oc1ccc(nc1Cl)Cl 34a_100000101165_200025704644 [1,1,0,0,0,0|2,0,0]=4 3697 B10R1.25 [13CH3]Oc1ccc(nc1Cl)Cl 7a_100000101165_200025704644 [1,1,0,0,0,0|2,0,0]=4 3698 B10R1.25 [13CH3]Oc1ccc(nc1Cl)I 34a_100000721234_200025704644 [1,1,0,0,0,0|2,0,0]=4 3699 B10R1.25 [13CH3]Oc1ccc(nc1Cl)I 7a_100000721234_200025704644 [1,1,0,0,0,0|2,0,0]=4 3700 B10R1.25 [13CH3]Oc1ccc(nc1F)Br 34a_100009819667_200025704644 [1,1,0,0,0,0|2,0,0]=4 3701 B10R1.25 [13CH3]Oc1ccc(nc1F)Br 7a_100009819667_200025704644 [1,1,0,0,0,0|2,0,0]=4 3702 B10R1.25 [13CH3]Oc1ccc(nc1F)Cl 34a_100009880201_200025704644 [1,1,0,0,0,0|2,0,0]=4 3703 B10R1.25 [13CH3]Oc1ccc(nc1F)Cl 7a_100009880201_200025704644 [1,1,0,0,0,0|2,0,0]=4 3704 B10R1.25 [13CH3]Oc1ccc(nc1F)F 34a_100000101184_200025704644 [1,1,0,0,0,0|2,0,0]=4 3705 B10R1.25 [13CH3]Oc1ccc(nc1F)F 7a_100000101184_200025704644 [1,1,0,0,0,0|2,0,0]=4 3706 B10R1.25 [13CH3]Oc1ccc(nc1I)Br 34a_100010253912_200025704644 [1,1,0,0,0,0|2,0,0]=4 3707 B10R1.25 [13CH3]Oc1ccc(nc1I)Br 7a_100010253912_200025704644 [1,1,0,0,0,0|2,0,0]=4 3708 B10R1.25 [13CH3]Oc1ccc(nc1I)Cl 34a_100000696390_200025704644 [1,1,0,0,0,0|2,0,0]=4 3709 B10R1.25 [13CH3]Oc1ccc(nc1I)Cl 7a_100000696390_200025704644 [1,1,0,0,0,0|2,0,0]=4 3710 B10R1.25 [13CH3]Oc1ccc(nc1I)F 34a_100010382442_200025704644 [1,1,0,0,0,0|2,0,0]=4 3711 B10R1.25 [13CH3]Oc1ccc(nc1I)F 7a_100010382442_200025704644 [1,1,0,0,0,0|2,0,0]=4 3712 B10R1.25 [13CH3]Oc1ccc(nc1N)Br 34a_100000685527_200025704644 [1,1,0,0,0,0|2,0,0]=4 3713 B10R1.25 [13CH3]Oc1ccc(nc1N)Br 7a_100000685527_200025704644 [1,1,0,0,0,0|2,0,0]=4 3714 B10R1.25 [13CH3]Oc1ccc(nc1N)Cl 34a_100000717809_200025704644 [1,1,0,0,0,0|2,0,0]=4 3715 B10R1.25 [13CH3]Oc1ccc(nc1N)Cl 7a_100000717809_200025704644 [1,1,0,0,0,0|2,0,0]=4 3716 B10R1.25 [13CH3]Oc1cnc(cc1Cl)Cl 34a_100009868576_200025704644 [1,1,0,0,0,0|2,0,0]=4 3717 B10R1.25 [13CH3]Oc1cnc(cc1Cl)Cl 7a_100009868576_200025704644 [1,1,0,0,0,0|2,0,0]=4 3718 B10R1.25 [13CH3]Oc1cnc(cc1F)F 34a_100009885687_200025704644 [1,1,0,0,0,0|2,0,0]=4 3719 B10R1.25 [13CH3]Oc1cnc(cc1F)F 7a_100009885687_200025704644 [1,1,0,0,0,0|2,0,0]=4 3720 B10R1.25 [13CH3]Oc1cnc(cc1I)Cl 34a_100000698892_200025704644 [1,1,0,0,0,0|2,0,0]=4 3721 B10R1.25 [13CH3]Oc1cnc(cc1I)Cl 7a_100000698892_200025704644 [1,1,0,0,0,0|2,0,0]=4 3722 B10R1.25 [13CH3]Oc1cnc(cc1N)Br 34a_100009819941_200025704644 [1,1,0,0,0,0|2,0,0]=4 3723 B10R1.25 [13CH3]Oc1cnc(cc1N)Br 7a_100009819941_200025704644 [1,1,0,0,0,0|2,0,0]=4 3724 B10R1.25 [13CH3]Oc1ncc(cc1Br)Br 34a_100000701035_200025704644 [1,1,0,0,0,0|2,0,0]=4 3725 B10R1.25 [13CH3]Oc1ncc(cc1Cl)Br 34a_100012339560_200025704644 [1,1,0,0,0,0|2,0,0]=4 3726 B10R1.25 [13CH3]Oc1ncc(cc1Cl)F 34a_100009847679_200025704644 [1,1,0,0,0,0|2,0,0]=4 3727 B10R1.25 [13CH3]Oc1ncc(cc1F)Cl 34a_100011998252_200025704644 [1,1,0,0,0,0|2,0,0]=4 3728 B10R1.25 [13CH3]Oc1ncc(cc1F)F 34a_100012025737_200025704644 [1,1,0,0,0,0|2,0,0]=4 3729 B10R1.25 [13CH3]Oc1ncc(cc1N)Br 34a_100000743729_200025704644 [1,1,0,0,0,0|2,0,0]=4 3730 B10R1.25 [13CH3]Oc1ncc(cc1N)Cl 34a_100011998249_200025704644 [1,1,0,0,0,0|2,0,0]=4 3731 B10R1.25 [13CH3]Sc1ccc(cc1Br)Br 62a_100011484698_200025704644 [1,1,0,0,0,0|1,1,0]=4 3732 B10R1.25 [13CH3]Sc1ccc(cc1Br)Br 62a_200025704644_100011484698 [1,1,0,0,0,0|1,1,0]=4 3733 B10R1.25 [13CH3]Sc1ccc(cc1Br)Cl 62a_100011219703_200025704644 [1,1,0,0,0,0|1,1,0]=4 3734 B10R1.25 [13CH3]Sc1ccc(cc1Br)Cl 62a_200025704644_100011219703 [1,1,0,0,0,0|1,1,0]=4 3735 B10R1.25 [13CH3]Sc1ccc(cc1Br)F 62a_100011217111_200025704644 [1,1,0,0,0,0|1,1,0]=4 3736 B10R1.25 [13CH3]Sc1ccc(cc1Br)F 62a_200025704644_100011217111 [1,1,0,0,0,0|1,1,0]=4 3737 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_100000750458_200025704644 [1,1,0,0,0,0|1,1,0]=4 3738 B10R1.25 [13CH3]Sc1ccc(cc1Br)N 62a_200025704644_100000750458 [1,1,0,0,0,0|1,1,0]=4 3739 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_100000701344_200025704644 [1,1,0,0,0,0|1,1,0]=4 3740 B10R1.25 [13CH3]Sc1ccc(cc1Br)O 62a_200025704644_100000701344 [1,1,0,0,0,0|1,1,0]=4 3741 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Br 62a_100011216062_200025704644 [1,1,0,0,0,0|1,1,0]=4 3742 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Br 62a_200025704644_100011216062 [1,1,0,0,0,0|1,1,0]=4 3743 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Cl 62a_100000699841_200025704644 [1,1,0,0,0,0|1,1,0]=4 3744 B10R1.25 [13CH3]Sc1ccc(cc1Cl)Cl 62a_200025704644_100000699841 [1,1,0,0,0,0|1,1,0]=4 3745 B10R1.25 [13CH3]Sc1ccc(cc1Cl)F 62a_100000733362_200025704644 [1,1,0,0,0,0|1,1,0]=4 3746 B10R1.25 [13CH3]Sc1ccc(cc1Cl)F 62a_200025704644_100000733362 [1,1,0,0,0,0|1,1,0]=4 3747 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_100000761885_200025704644 [1,1,0,0,0,0|1,1,0]=4 3748 B10R1.25 [13CH3]Sc1ccc(cc1Cl)N 62a_200025704644_100000761885 [1,1,0,0,0,0|1,1,0]=4 3749 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_100000047559_200025704644 [1,1,0,0,0,0|1,1,0]=4 3750 B10R1.25 [13CH3]Sc1ccc(cc1Cl)O 62a_200025704644_100000047559 [1,1,0,0,0,0|1,1,0]=4 3751 B10R1.25 [13CH3]Sc1ccc(cc1F)Br 62a_100009814013_200025704644 [1,1,0,0,0,0|1,1,0]=4 3752 B10R1.25 [13CH3]Sc1ccc(cc1F)Br 62a_200025704644_100009814013 [1,1,0,0,0,0|1,1,0]=4 3753 B10R1.25 [13CH3]Sc1ccc(cc1F)Cl 62a_100011216042_200025704644 [1,1,0,0,0,0|1,1,0]=4 3754 B10R1.25 [13CH3]Sc1ccc(cc1F)Cl 62a_200025704644_100011216042 [1,1,0,0,0,0|1,1,0]=4 3755 B10R1.25 [13CH3]Sc1ccc(cc1F)F 62a_100000750030_200025704644 [1,1,0,0,0,0|1,1,0]=4 3756 B10R1.25 [13CH3]Sc1ccc(cc1F)F 62a_200025704644_100000750030 [1,1,0,0,0,0|1,1,0]=4 3757 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_100011356925_200025704644 [1,1,0,0,0,0|1,1,0]=4 3758 B10R1.25 [13CH3]Sc1ccc(cc1F)N 62a_200025704644_100011356925 [1,1,0,0,0,0|1,1,0]=4 3759 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_100000755031_200025704644 [1,1,0,0,0,0|1,1,0]=4 3760 B10R1.25 [13CH3]Sc1ccc(cc1F)O 62a_200025704644_100000755031 [1,1,0,0,0,0|1,1,0]=4 3761 B10R1.25 [13CH3]Sc1ccc(cc1N)Br 62a_100000743836_200025704644 [1,1,0,0,0,0|1,1,0]=4 3762 B10R1.25 [13CH3]Sc1ccc(cc1N)Br 62a_200025704644_100000743836 [1,1,0,0,0,0|1,1,0]=4 3763 B10R1.25 [13CH3]Sc1ccc(cc1N)Cl 62a_100000761886_200025704644 [1,1,0,0,0,0|1,1,0]=4 3764 B10R1.25 [13CH3]Sc1ccc(cc1N)Cl 62a_200025704644_100000761886 [1,1,0,0,0,0|1,1,0]=4 3765 B10R1.25 [13CH3]Sc1ccc(cc1N)F 62a_100000687223_200025704644 [1,1,0,0,0,0|1,1,0]=4 3766 B10R1.25 [13CH3]Sc1ccc(cc1N)F 62a_200025704644_100000687223 [1,1,0,0,0,0|1,1,0]=4 3767 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200012175722_200025704644 [1,1,0,0,0,0|1,1,0]=4 3768 B10R1.25 [13CH3]Sc1ccc(cc1N)N 62a_200025704644_200012175722 [1,1,0,0,0,0|1,1,0]=4 3769 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_100011999798_200025704644 [1,1,0,0,0,0|1,1,0]=4 3770 B10R1.25 [13CH3]Sc1ccc(cc1N)O 62a_200025704644_100011999798 [1,1,0,0,0,0|1,1,0]=4 3771 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_100012344904_200025704644 [1,1,0,0,0,0|0,1,0]=3 3772 B10R1.25 [13CH3]Sc1ccc(cc1O)Br 62a_200025704644_100012344904 [1,1,0,0,0,0|0,1,0]=3 3773 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,1,0,0,0,0|0,1,0]=3 3774 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,1,0,0,0,0|0,1,0]=3 3775 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_100000690578_200025704644 [1,1,0,0,0,0|0,1,0]=3 3776 B10R1.25 [13CH3]Sc1ccc(cc1O)F 62a_200025704644_100000690578 [1,1,0,0,0,0|0,1,0]=3 3777 B10R1.25 [13CH3]Sc1ccc(cc1O)O 62a_200025704644_100009813921 [1,1,0,0,0,0|0,1,0]=3 3778 B10R1.25 [13CH3]Sc1ncc(cc1O)Br 62a_100010210634_200025704644 [1,1,0,0,0,0|1,1,0]=4 3779 B10R1.25 [13CH3]Sc1ncc(cc1O)Br 62a_200025704644_100010210634 [1,1,0,0,0,0|1,1,0]=4 3780 B10R1.25 [13CH3]Sc1ncc(cc1O)Cl 62a_100010233512_200025704644 [1,1,0,0,0,0|1,1,0]=4 3781 B10R1.25 [13CH3]Sc1ncc(cc1O)Cl 62a_200025704644_100010233512 [1,1,0,0,0,0|1,1,0]=4 3782 B10R1.25 [13CH3]Sc1ncc(cc1O)F 62a_100009820119_200025704644 [1,1,0,0,0,0|1,1,0]=4 3783 B10R1.25 [13CH3]Sc1ncc(cc1O)F 62a_200025704644_100000079967 [1,1,0,0,0,0|1,1,0]=4 3784 B10R1.30 C=Cc1cc(ccc1C)Br 271570a_100011290941_100011344865 [1,1,0,0,0,0|1,0,1]=4 3785 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,1,0,0,0,0|1,0,1]=4 3786 B10R1.30 C=Cc1cc(ccc1C)Cl 271570a_100011290941_100011263213 [1,1,0,0,0,0|1,0,1]=4 3787 B10R1.30 C=Cc1cc(ccc1C)F 271570a_100011290941_100011218078 [1,1,0,0,0,0|1,0,1]=4 3788 B10R1.30 C=Cc1cc(ccc1C)N 271570a_100011290941_100000736455 [1,1,0,0,0,0|1,0,1]=4 3789 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [1,1,0,0,0,0|1,0,1]=4 3790 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,1,0,0,0,0|1,0,1]=4 3791 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,1,0,0,0,0|1,0,1]=4 3792 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,1,0,0,0,0|1,0,1]=4 3793 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,1,0,0,0,0|1,0,1]=4 3794 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,1,0,0,0,0|1,0,1]=4 3795 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,1,0,0,0,0|1,0,1]=4 3796 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [1,1,0,0,0,0|2,0,0]=4 3797 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [1,1,0,0,0,0|2,0,0]=4 3798 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [1,1,0,0,0,0|2,0,0]=4 3799 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,1,0,0,0,0|1,0,0]=3 3800 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,1,0,0,0,0|1,0,0]=3 3801 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,1,0,0,0,0|1,0,0]=3 3802 B10R1.30 CNc1cc(ccc1Br)Br 34a_100000737762_200000210301 [1,1,0,0,0,0|2,0,0]=4 3803 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [1,1,0,0,0,0|2,0,0]=4 3804 B10R1.30 CNc1cc(ccc1Br)Cl 34a_100000687073_200000210301 [1,1,0,0,0,0|2,0,0]=4 3805 B10R1.30 CNc1cc(ccc1Br)F 34a_100000687223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3806 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [1,1,0,0,0,0|2,0,0]=4 3807 B10R1.30 CNc1cc(ccc1C)Br 34a_100000741167_200000210301 [1,1,0,0,0,0|1,0,0]=3 3808 B10R1.30 CNc1cc(ccc1C)Br 7a_100000741167_200000210301 [1,1,0,0,0,0|1,0,0]=3 3809 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [1,1,0,0,0,0|1,0,0]=3 3810 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [1,1,0,0,0,0|1,0,0]=3 3811 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [1,1,0,0,0,0|1,0,0]=3 3812 B10R1.30 CNc1cc(ccc1C)Cl 34a_100000211374_200000210301 [1,1,0,0,0,0|1,0,0]=3 3813 B10R1.30 CNc1cc(ccc1C)Cl 7a_100000211374_200000210301 [1,1,0,0,0,0|1,0,0]=3 3814 B10R1.30 CNc1cc(ccc1C)F 34a_100000211107_200000210301 [1,1,0,0,0,0|1,0,0]=3 3815 B10R1.30 CNc1cc(ccc1C)F 7a_100000211107_200000210301 [1,1,0,0,0,0|1,0,0]=3 3816 B10R1.30 CNc1cc(ccc1C)I 7a_100000761890_200000210301 [1,1,0,0,0,0|1,0,0]=3 3817 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [1,1,0,0,0,0|1,0,0]=3 3818 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [1,1,0,0,0,0|1,0,0]=3 3819 B10R1.30 CNc1cc(ccc1Cl)Br 34a_100000750497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3820 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [1,1,0,0,0,0|2,0,0]=4 3821 B10R1.30 CNc1cc(ccc1Cl)Cl 34a_100000184485_200000210301 [1,1,0,0,0,0|2,0,0]=4 3822 B10R1.30 CNc1cc(ccc1Cl)F 34a_100000751338_200000210301 [1,1,0,0,0,0|2,0,0]=4 3823 B10R1.30 CNc1cc(ccc1Cl)I 34a_200000761891_200000210301 [1,1,0,0,0,0|2,0,0]=4 3824 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [1,1,0,0,0,0|2,0,0]=4 3825 B10R1.30 CNc1cc(ccc1F)Br 34a_100000740924_200000210301 [1,1,0,0,0,0|2,0,0]=4 3826 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [1,1,0,0,0,0|2,0,0]=4 3827 B10R1.30 CNc1cc(ccc1F)Cl 34a_100000212115_200000210301 [1,1,0,0,0,0|2,0,0]=4 3828 B10R1.30 CNc1cc(ccc1F)F 34a_100000210742_200000210301 [1,1,0,0,0,0|2,0,0]=4 3829 B10R1.30 CNc1cc(ccc1F)I 34a_100011464823_200000210301 [1,1,0,0,0,0|2,0,0]=4 3830 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [1,1,0,0,0,0|2,0,0]=4 3831 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [1,1,0,0,0,0|2,0,0]=4 3832 B10R1.30 CNc1cc(ccc1I)Br 34a_100000743836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3833 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3834 B10R1.30 CNc1cc(ccc1I)Cl 34a_100000761886_200000210301 [1,1,0,0,0,0|2,0,0]=4 3835 B10R1.30 CNc1cc(ccc1I)F 34a_100011218093_200000210301 [1,1,0,0,0,0|2,0,0]=4 3836 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [1,1,0,0,0,0|2,0,0]=4 3837 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,1,0,0,0,0|1,0,0]=3 3838 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,1,0,0,0,0|1,0,0]=3 3839 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,1,0,0,0,0|1,0,0]=3 3840 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,1,0,0,0,0|1,0,0]=3 3841 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,1,0,0,0,0|1,0,0]=3 3842 B10R1.30 CNc1cc(ncc1C)F 27a_100102657272_100000049870 [1,1,0,0,0,0|2,0,0]=4 3843 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [1,1,0,0,0,0|2,0,0]=4 3844 B10R1.30 COc1cc(c[nH]c1=O)O 271570a_203496583355_100010125397 [1,1,0,0,0,0|1,0,1]=4 3845 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [1,1,0,0,0,0|1,0,0]=3 3846 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [1,1,0,0,0,0|1,0,0]=3 3847 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [1,1,0,0,0,0|1,0,0]=3 3848 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [1,1,0,0,0,0|1,0,0]=3 3849 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [1,1,0,0,0,0|1,0,0]=3 3850 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [1,1,0,0,0,0|1,0,0]=3 3851 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [1,1,0,0,0,0|1,0,0]=3 3852 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [1,1,0,0,0,0|1,0,0]=3 3853 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [1,1,0,0,0,0|1,0,0]=3 3854 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [1,1,0,0,0,0|1,0,0]=3 3855 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,1,0,0,0,0|1,0,0]=3 3856 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [1,1,0,0,0,0|0,0,0]=2 3857 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [1,1,0,0,0,0|0,0,0]=2 3858 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,1,0,0,0,0|0,0,0]=2 3859 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,1,0,0,0,0|0,0,0]=2 3860 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [1,1,0,0,0,0|0,0,0]=2 3861 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [1,1,0,0,0,0|0,0,0]=2 3862 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [1,1,0,0,0,0|0,0,0]=2 3863 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [1,1,0,0,0,0|0,0,0]=2 3864 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [1,1,0,0,0,0|0,0,0]=2 3865 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,1,0,0,0,0|0,0,0]=2 3866 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,1,0,0,0,0|0,0,0]=2 3867 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,1,0,0,0,0|0,0,0]=2 3868 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [1,1,0,0,0,0|1,0,0]=3 3869 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [1,1,0,0,0,0|1,0,0]=3 3870 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [1,1,0,0,0,0|1,0,0]=3 3871 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [1,1,0,0,0,0|1,0,0]=3 3872 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [1,1,0,0,0,0|1,0,0]=3 3873 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [1,1,0,0,0,0|1,0,0]=3 3874 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [1,1,0,0,0,0|1,0,0]=3 3875 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [1,1,0,0,0,0|1,0,0]=3 3876 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [1,1,0,0,0,0|1,0,0]=3 3877 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [1,1,0,0,0,0|1,0,0]=3 3878 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,1,0,0,0,0|1,0,0]=3 3879 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,1,0,0,0,0|1,0,0]=3 3880 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [1,1,0,0,0,0|1,0,0]=3 3881 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [1,1,0,0,0,0|1,0,0]=3 3882 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [1,1,0,0,0,0|1,0,0]=3 3883 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [1,1,0,0,0,0|1,0,0]=3 3884 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [1,1,0,0,0,0|1,0,0]=3 3885 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [1,1,0,0,0,0|1,0,0]=3 3886 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [1,1,0,0,0,0|1,0,0]=3 3887 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [1,1,0,0,0,0|1,0,0]=3 3888 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3889 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3890 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,1,0,0,0,0|1,0,0]=3 3891 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,1,0,0,0,0|1,0,0]=3 3892 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,1,0,0,0,0|1,0,0]=3 3893 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [1,1,0,0,0,0|1,0,0]=3 3894 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [1,1,0,0,0,0|1,0,0]=3 3895 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3896 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3897 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3898 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3899 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [1,1,0,0,0,0|1,0,0]=3 3900 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [1,1,0,0,0,0|1,0,0]=3 3901 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [1,1,0,0,0,0|1,0,0]=3 3902 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [1,1,0,0,0,0|1,0,0]=3 3903 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [1,1,0,0,0,0|1,0,0]=3 3904 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [1,1,0,0,0,0|1,0,0]=3 3905 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [1,1,0,0,0,0|1,0,0]=3 3906 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [1,1,0,0,0,0|1,0,0]=3 3907 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3908 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3909 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,1,0,0,0,0|1,0,0]=3 3910 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,1,0,0,0,0|1,0,0]=3 3911 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,1,0,0,0,0|0,0,0]=2 3912 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,1,0,0,0,0|0,0,0]=2 3913 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,1,0,0,0,0|0,0,0]=2 3914 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,1,0,0,0,0|0,0,0]=2 3915 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,1,0,0,0,0|0,0,0]=2 3916 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,1,0,0,0,0|0,0,0]=2 3917 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,1,0,0,0,0|0,0,0]=2 3918 B10R1.30 COc1cc(cnc1Br)Cl 34a_100000697010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3919 B10R1.30 COc1cc(cnc1Br)Cl 7a_100000697010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3920 B10R1.30 COc1cc(cnc1Br)F 34a_100009820119_200000210301 [1,1,0,0,0,0|2,0,0]=4 3921 B10R1.30 COc1cc(cnc1Br)F 7a_100009820119_200000210301 [1,1,0,0,0,0|2,0,0]=4 3922 B10R1.30 COc1cc(cnc1C)Br 34a_100009864810_200000210301 [1,1,0,0,0,0|1,0,0]=3 3923 B10R1.30 COc1cc(cnc1C)Br 7a_100009864810_200000210301 [1,1,0,0,0,0|1,0,0]=3 3924 B10R1.30 COc1cc(cnc1C)O 271570a_203496583355_100010254219 [1,1,0,0,0,0|1,0,0]=3 3925 B10R1.30 COc1cc(cnc1Cl)Br 34a_100012354860_200000210301 [1,1,0,0,0,0|2,0,0]=4 3926 B10R1.30 COc1cc(cnc1Cl)Br 7a_100012354860_200000210301 [1,1,0,0,0,0|2,0,0]=4 3927 B10R1.30 COc1cc(cnc1Cl)C 34a_100012000487_200000210301 [1,1,0,0,0,0|2,0,0]=4 3928 B10R1.30 COc1cc(cnc1Cl)C 7a_100012000487_200000210301 [1,1,0,0,0,0|2,0,0]=4 3929 B10R1.30 COc1cc(cnc1Cl)F 34a_100000079967_200000210301 [1,1,0,0,0,0|2,0,0]=4 3930 B10R1.30 COc1cc(cnc1Cl)F 7a_100000079967_200000210301 [1,1,0,0,0,0|2,0,0]=4 3931 B10R1.30 COc1cc(cnc1F)Br 34a_100009819871_200000210301 [1,1,0,0,0,0|2,0,0]=4 3932 B10R1.30 COc1cc(cnc1F)Br 7a_100009819871_200000210301 [1,1,0,0,0,0|2,0,0]=4 3933 B10R1.30 COc1cc(cnc1F)C 34a_100009849810_200000210301 [1,1,0,0,0,0|2,0,0]=4 3934 B10R1.30 COc1cc(cnc1F)C 7a_100009849810_200000210301 [1,1,0,0,0,0|2,0,0]=4 3935 B10R1.30 COc1cc(cnc1F)Cl 34a_100000094372_200000210301 [1,1,0,0,0,0|2,0,0]=4 3936 B10R1.30 COc1cc(cnc1F)Cl 7a_100000094372_200000210301 [1,1,0,0,0,0|2,0,0]=4 3937 B10R1.30 COc1cc(cnc1F)O 271570a_203496583355_100010214931 [1,1,0,0,0,0|2,0,0]=4 3938 B10R1.30 COc1cc(cnc1I)Br 34a_100010210634_200000210301 [1,1,0,0,0,0|2,0,0]=4 3939 B10R1.30 COc1cc(cnc1I)Br 7a_100010210634_200000210301 [1,1,0,0,0,0|2,0,0]=4 3940 B10R1.30 COc1cc(cnc1I)Cl 34a_100010233512_200000210301 [1,1,0,0,0,0|2,0,0]=4 3941 B10R1.30 COc1cc(cnc1I)Cl 7a_100010233512_200000210301 [1,1,0,0,0,0|2,0,0]=4 3942 B10R1.30 COc1cc(cnc1I)F 34a_100015624800_200000210301 [1,1,0,0,0,0|2,0,0]=4 3943 B10R1.30 COc1cc(cnc1I)F 7a_100015624800_200000210301 [1,1,0,0,0,0|2,0,0]=4 3944 B10R1.30 COc1cc(cnc1N)Br 34a_100009819042_200000210301 [1,1,0,0,0,0|2,0,0]=4 3945 B10R1.30 COc1cc(cnc1N)Br 7a_100009819042_200000210301 [1,1,0,0,0,0|2,0,0]=4 3946 B10R1.30 COc1cc(cnc1N)Cl 34a_100000123674_200000210301 [1,1,0,0,0,0|2,0,0]=4 3947 B10R1.30 COc1cc(cnc1N)Cl 7a_100000123674_200000210301 [1,1,0,0,0,0|2,0,0]=4 3948 B10R1.30 COc1cc(cnc1N)F 34a_100000094369_200000210301 [1,1,0,0,0,0|2,0,0]=4 3949 B10R1.30 COc1cc(cnc1N)F 7a_100000094369_200000210301 [1,1,0,0,0,0|2,0,0]=4 3950 B10R1.30 COc1cc(cnc1N)O 271570a_203496583355_106354213024 [1,1,0,0,0,0|2,0,0]=4 3951 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [1,1,0,0,0,0|1,0,0]=3 3952 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [1,1,0,0,0,0|1,0,0]=3 3953 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [1,1,0,0,0,0|1,0,0]=3 3954 B10R1.30 COc1cc(ncc1Br)Br 34a_100010235016_200000210301 [1,1,0,0,0,0|2,0,0]=4 3955 B10R1.30 COc1cc(ncc1Br)C 34a_100011016184_200000210301 [1,1,0,0,0,0|2,0,0]=4 3956 B10R1.30 COc1cc(ncc1Br)Cl 34a_100010173860_200000210301 [1,1,0,0,0,0|2,0,0]=4 3957 B10R1.30 COc1cc(ncc1C)Br 34a_100000704368_200000210301 [1,1,0,0,0,0|1,0,0]=3 3958 B10R1.30 COc1cc(ncc1C)Br 7a_100000704368_200000210301 [1,1,0,0,0,0|1,0,0]=3 3959 B10R1.30 COc1cc(ncc1C)O 271570a_203496583355_100010067687 [1,1,0,0,0,0|1,0,0]=3 3960 B10R1.30 COc1cc(ncc1Cl)Br 34a_100010173861_200000210301 [1,1,0,0,0,0|2,0,0]=4 3961 B10R1.30 COc1cc(ncc1F)Br 34a_100009854642_200000210301 [1,1,0,0,0,0|2,0,0]=4 3962 B10R1.30 COc1cc(ncc1F)Cl 34a_100009851168_200000210301 [1,1,0,0,0,0|2,0,0]=4 3963 B10R1.30 COc1cc(ncc1F)O 271570a_203496583355_200010136270 [1,1,0,0,0,0|2,0,0]=4 3964 B10R1.30 COc1cc(ncc1N)O 271570a_203496583355_100009887741 [1,1,0,0,0,0|2,0,0]=4 3965 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [1,1,0,0,0,0|1,0,0]=3 3966 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [1,1,0,0,0,0|1,0,0]=3 3967 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [1,1,0,0,0,0|1,0,0]=3 3968 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [1,1,0,0,0,0|1,0,0]=3 3969 B10R1.30 COc1nc(ccc1Br)C 34a_100009817604_200000210301 [1,1,0,0,0,0|2,0,0]=4 3970 B10R1.30 COc1nc(ccc1F)Cl 34a_100010729010_200000210301 [1,1,0,0,0,0|2,0,0]=4 3971 B10R1.30 COc1nc(ccc1N)C 34a_100000687486_200000210301 [1,1,0,0,0,0|2,0,0]=4 3972 B10R1.30 COc1nc(ccc1N)O 271570a_203496583355_100000687816 [1,1,0,0,0,0|2,0,0]=4 3973 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [1,1,0,0,0,0|1,0,0]=3 3974 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [1,1,0,0,0,0|1,0,0]=3 3975 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [1,1,0,0,0,0|1,0,0]=3 3976 B10R1.30 COc1nc(cnc1O)Br 271570a_203496583355_100010214903 [1,1,0,0,0,0|2,0,0]=4 3977 B10R1.30 COc1nc(cnc1O)N 271570a_203496583355_100010128448 [1,1,0,0,0,0|2,0,0]=4 3978 B10R1.30 COc1nc(cnc1O)O 271570a_203496583355_200010365344 [1,1,0,0,0,0|2,0,0]=4 3979 B10R1.30 COc1nc(ncc1C)O 271570a_203496583355_100012500371 [1,1,0,0,0,0|2,0,0]=4 3980 B10R1.30 COc1nc(ncc1O)N 271570a_203496583355_100010240410 [1,1,0,0,0,0|2,0,0]=4 3981 B10R1.30 CSc1cc(ccc1Br)Br 62a_100011483371_200000210301 [1,1,0,0,0,0|1,1,0]=4 3982 B10R1.30 CSc1cc(ccc1Br)Br 62a_200000210301_100011483371 [1,1,0,0,0,0|1,1,0]=4 3983 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [1,1,0,0,0,0|1,1,0]=4 3984 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [1,1,0,0,0,0|1,1,0]=4 3985 B10R1.30 CSc1cc(ccc1Br)Cl 62a_100012339723_200000210301 [1,1,0,0,0,0|1,1,0]=4 3986 B10R1.30 CSc1cc(ccc1Br)Cl 62a_200000210301_100012339723 [1,1,0,0,0,0|1,1,0]=4 3987 B10R1.30 CSc1cc(ccc1Br)F 62a_100011217576_200000210301 [1,1,0,0,0,0|1,1,0]=4 3988 B10R1.30 CSc1cc(ccc1Br)F 62a_200000210301_100011217576 [1,1,0,0,0,0|1,1,0]=4 3989 B10R1.30 CSc1cc(ccc1Br)N 62a_100000750459_200000210301 [1,1,0,0,0,0|1,1,0]=4 3990 B10R1.30 CSc1cc(ccc1Br)N 62a_200000210301_100000750459 [1,1,0,0,0,0|1,1,0]=4 3991 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [1,1,0,0,0,0|1,1,0]=4 3992 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [1,1,0,0,0,0|1,1,0]=4 3993 B10R1.30 CSc1cc(ccc1C)Br 62a_100011344865_200000210301 [1,1,0,0,0,0|0,1,0]=3 3994 B10R1.30 CSc1cc(ccc1C)Br 62a_200000210301_100011344865 [1,1,0,0,0,0|0,1,0]=3 3995 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [1,1,0,0,0,0|0,1,0]=3 3996 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [1,1,0,0,0,0|0,1,0]=3 3997 B10R1.30 CSc1cc(ccc1C)Cl 62a_100011263213_200000210301 [1,1,0,0,0,0|0,1,0]=3 3998 B10R1.30 CSc1cc(ccc1C)Cl 62a_200000210301_100011263213 [1,1,0,0,0,0|0,1,0]=3 3999 B10R1.30 CSc1cc(ccc1C)F 62a_100011218078_200000210301 [1,1,0,0,0,0|0,1,0]=3 4000 B10R1.30 CSc1cc(ccc1C)F 62a_200000210301_100011218078 [1,1,0,0,0,0|0,1,0]=3 4001 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,1,0,0,0,0|0,1,0]=3 4002 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,1,0,0,0,0|0,1,0]=3 4003 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [1,1,0,0,0,0|0,1,0]=3 4004 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [1,1,0,0,0,0|0,1,0]=3 4005 B10R1.30 CSc1cc(ccc1Cl)Br 62a_100011772130_200000210301 [1,1,0,0,0,0|1,1,0]=4 4006 B10R1.30 CSc1cc(ccc1Cl)Br 62a_200000210301_100011772130 [1,1,0,0,0,0|1,1,0]=4 4007 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [1,1,0,0,0,0|1,1,0]=4 4008 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [1,1,0,0,0,0|1,1,0]=4 4009 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_100000707729_200000210301 [1,1,0,0,0,0|1,1,0]=4 4010 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_200000210301_100000707729 [1,1,0,0,0,0|1,1,0]=4 4011 B10R1.30 CSc1cc(ccc1Cl)F 62a_100011217299_200000210301 [1,1,0,0,0,0|1,1,0]=4 4012 B10R1.30 CSc1cc(ccc1Cl)F 62a_200000210301_100011217299 [1,1,0,0,0,0|1,1,0]=4 4013 B10R1.30 CSc1cc(ccc1Cl)N 62a_100012360549_200000210301 [1,1,0,0,0,0|1,1,0]=4 4014 B10R1.30 CSc1cc(ccc1Cl)N 62a_200000210301_100012360549 [1,1,0,0,0,0|1,1,0]=4 4015 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [1,1,0,0,0,0|1,1,0]=4 4016 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [1,1,0,0,0,0|1,1,0]=4 4017 B10R1.30 CSc1cc(ccc1F)Br 62a_100011217312_200000210301 [1,1,0,0,0,0|1,1,0]=4 4018 B10R1.30 CSc1cc(ccc1F)Br 62a_200000210301_100011217312 [1,1,0,0,0,0|1,1,0]=4 4019 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [1,1,0,0,0,0|1,1,0]=4 4020 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [1,1,0,0,0,0|1,1,0]=4 4021 B10R1.30 CSc1cc(ccc1F)Cl 62a_100011218116_200000210301 [1,1,0,0,0,0|1,1,0]=4 4022 B10R1.30 CSc1cc(ccc1F)Cl 62a_200000210301_100011218116 [1,1,0,0,0,0|1,1,0]=4 4023 B10R1.30 CSc1cc(ccc1F)F 62a_100011219198_200000210301 [1,1,0,0,0,0|1,1,0]=4 4024 B10R1.30 CSc1cc(ccc1F)F 62a_200000210301_100011219198 [1,1,0,0,0,0|1,1,0]=4 4025 B10R1.30 CSc1cc(ccc1F)N 62a_100000760356_200000210301 [1,1,0,0,0,0|1,1,0]=4 4026 B10R1.30 CSc1cc(ccc1F)N 62a_200000210301_100000760356 [1,1,0,0,0,0|1,1,0]=4 4027 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [1,1,0,0,0,0|1,1,0]=4 4028 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [1,1,0,0,0,0|1,1,0]=4 4029 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [1,1,0,0,0,0|1,1,0]=4 4030 B10R1.30 CSc1cc(ccc1N)Br 62a_100000187925_200000210301 [1,1,0,0,0,0|1,1,0]=4 4031 B10R1.30 CSc1cc(ccc1N)Br 62a_200000210301_100000187925 [1,1,0,0,0,0|1,1,0]=4 4032 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [1,1,0,0,0,0|1,1,0]=4 4033 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [1,1,0,0,0,0|1,1,0]=4 4034 B10R1.30 CSc1cc(ccc1N)Cl 62a_100000761889_200000210301 [1,1,0,0,0,0|1,1,0]=4 4035 B10R1.30 CSc1cc(ccc1N)Cl 62a_200000210301_100000761889 [1,1,0,0,0,0|1,1,0]=4 4036 B10R1.30 CSc1cc(ccc1N)F 62a_100000760547_200000210301 [1,1,0,0,0,0|1,1,0]=4 4037 B10R1.30 CSc1cc(ccc1N)F 62a_200000210301_100000760547 [1,1,0,0,0,0|1,1,0]=4 4038 B10R1.30 CSc1cc(ccc1N)N 62a_100011534242_200000210301 [1,1,0,0,0,0|1,1,0]=4 4039 B10R1.30 CSc1cc(ccc1N)N 62a_200000210301_100011534242 [1,1,0,0,0,0|1,1,0]=4 4040 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [1,1,0,0,0,0|1,1,0]=4 4041 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [1,1,0,0,0,0|1,1,0]=4 4042 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,1,0,0,0,0|0,1,0]=3 4043 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,1,0,0,0,0|0,1,0]=3 4044 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,1,0,0,0,0|0,1,0]=3 4045 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,1,0,0,0,0|0,1,0]=3 4046 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,1,0,0,0,0|0,1,0]=3 4047 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,1,0,0,0,0|0,1,0]=3 4048 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,1,0,0,0,0|0,1,0]=3 4049 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,1,0,0,0,0|0,1,0]=3 4050 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,1,0,0,0,0|0,1,0]=3 4051 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,1,0,0,0,0|0,1,0]=3 4052 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,1,0,0,0,0|0,1,0]=3 4053 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,1,0,0,0,0|0,1,0]=3 4054 B10R1.30 CSc1cc(cnc1C)Br 62a_200000210301_200010090566 [1,1,0,0,0,0|1,1,0]=4 4055 B10R1.30 CSc1cc(cnc1C)Br 62a_200010090566_200000210301 [1,1,0,0,0,0|1,1,0]=4 4056 B10R1.30 CSc1cc(cnc1C)C 62a_100009817436_200000210301 [1,1,0,0,0,0|1,1,0]=4 4057 B10R1.30 CSc1cc(cnc1C)C 62a_200000210301_100009817436 [1,1,0,0,0,0|1,1,0]=4 4058 B10R1.30 CSc1cc(cnc1C)F 62a_100009860710_200000210301 [1,1,0,0,0,0|1,1,0]=4 4059 B10R1.30 CSc1cc(cnc1C)F 62a_200000210301_100009860710 [1,1,0,0,0,0|1,1,0]=4 4060 B10R1.30 CSc1cc(cnc1C)N 62a_100011998591_200000210301 [1,1,0,0,0,0|1,1,0]=4 4061 B10R1.30 CSc1cc(cnc1C)N 62a_200000210301_100011998591 [1,1,0,0,0,0|1,1,0]=4 4062 B10R1.30 CSc1cc(cnc1C)O 62a_100009819603_200000210301 [1,1,0,0,0,0|1,1,0]=4 4063 B10R1.30 CSc1cc(cnc1C)O 62a_200000210301_100009819603 [1,1,0,0,0,0|1,1,0]=4 4064 B10R1.30 CSc1cc(cnc1O)Br 62a_100010197142_200000210301 [1,1,0,0,0,0|1,1,0]=4 4065 B10R1.30 CSc1cc(cnc1O)Br 62a_200000210301_100010197142 [1,1,0,0,0,0|1,1,0]=4 4066 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [1,1,0,0,0,0|1,1,0]=4 4067 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [1,1,0,0,0,0|1,1,0]=4 4068 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [1,1,0,0,0,0|1,1,0]=4 4069 B10R1.30 CSc1cc(cnc1O)Cl 62a_100010188700_200000210301 [1,1,0,0,0,0|1,1,0]=4 4070 B10R1.30 CSc1cc(cnc1O)Cl 62a_200000210301_100010188700 [1,1,0,0,0,0|1,1,0]=4 4071 B10R1.30 CSc1cc(ncc1C)Br 62a_100010067628_200000210301 [1,1,0,0,0,0|1,1,0]=4 4072 B10R1.30 CSc1cc(ncc1C)Br 62a_200000210301_100010067628 [1,1,0,0,0,0|1,1,0]=4 4073 B10R1.30 CSc1cc(ncc1C)C 62a_100009862788_200000210301 [1,1,0,0,0,0|1,1,0]=4 4074 B10R1.30 CSc1cc(ncc1C)C 62a_200000210301_100009862788 [1,1,0,0,0,0|1,1,0]=4 4075 B10R1.30 CSc1cc(ncc1C)Cl 62a_100010068021_200000210301 [1,1,0,0,0,0|1,1,0]=4 4076 B10R1.30 CSc1cc(ncc1C)Cl 62a_200000210301_100010068021 [1,1,0,0,0,0|1,1,0]=4 4077 B10R1.30 CSc1cc(ncc1C)F 62a_100000049870_200000210301 [1,1,0,0,0,0|1,1,0]=4 4078 B10R1.30 CSc1cc(ncc1C)F 62a_200000210301_100000049870 [1,1,0,0,0,0|1,1,0]=4 4079 B10R1.30 CSc1cc(ncc1C)N 62a_100009819938_200000210301 [1,1,0,0,0,0|1,1,0]=4 4080 B10R1.30 CSc1cc(ncc1C)N 62a_200000210301_100009819938 [1,1,0,0,0,0|1,1,0]=4 4081 B10R1.30 CSc1cc(ncc1C)O 62a_100009831917_200000210301 [1,1,0,0,0,0|1,1,0]=4 4082 B10R1.30 CSc1cc(ncc1C)O 62a_200000210301_100009831917 [1,1,0,0,0,0|1,1,0]=4 4083 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [1,1,0,0,0,0|1,1,0]=4 4084 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [1,1,0,0,0,0|1,1,0]=4 4085 B10R1.30 CSc1cc(ncc1O)Cl 62a_100000698892_200000210301 [1,1,0,0,0,0|1,1,0]=4 4086 B10R1.30 CSc1cc(ncc1O)Cl 62a_200000210301_100000698892 [1,1,0,0,0,0|1,1,0]=4 4087 B10R1.30 CSc1nc(ccc1C)C 62a_100009854376_200000210301 [1,1,0,0,0,0|1,1,0]=4 4088 B10R1.30 CSc1nc(ccc1C)C 62a_200000210301_100009854376 [1,1,0,0,0,0|1,1,0]=4 4089 B10R1.30 CSc1nc(ccc1C)N 62a_100000126722_200000210301 [1,1,0,0,0,0|1,1,0]=4 4090 B10R1.30 CSc1nc(ccc1C)N 62a_200000210301_100000126722 [1,1,0,0,0,0|1,1,0]=4 4091 B10R1.30 CSc1nc(ccc1O)Br 62a_100010253912_200000210301 [1,1,0,0,0,0|1,1,0]=4 4092 B10R1.30 CSc1nc(ccc1O)Br 62a_200000210301_100010253912 [1,1,0,0,0,0|1,1,0]=4 4093 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [1,1,0,0,0,0|1,1,0]=4 4094 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [1,1,0,0,0,0|1,1,0]=4 4095 B10R1.30 CSc1nc(ccc1O)Cl 62a_200000210301_100000696390 [1,1,0,0,0,0|1,1,0]=4 4096 B10R1.30 CSc1nc(ccc1O)F 62a_100010382442_200000210301 [1,1,0,0,0,0|1,1,0]=4 4097 B10R1.30 CSc1nc(ccc1O)F 62a_200000210301_100010382442 [1,1,0,0,0,0|1,1,0]=4 4098 B10R1.30 Cc1cc(c(cn1)Br)O[13CH3] 34a_100011016184_200025704644 [1,1,0,0,0,0|2,0,0]=4 4099 B10R1.30 Cc1cc(c(cn1)C)S[13CH3] 62a_100009862788_200025704644 [1,1,0,0,0,0|1,1,0]=4 4100 B10R1.30 Cc1cc(c(cn1)C)S[13CH3] 62a_200025704644_100009862788 [1,1,0,0,0,0|1,1,0]=4 4101 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [1,1,0,0,0,0|1,1,0]=4 4102 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [1,1,0,0,0,0|1,1,0]=4 4103 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,1,0,0,0,0|2,0,0]=4 4104 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,1,0,0,0,0|2,0,0]=4 4105 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,1,0,0,0,0|2,0,0]=4 4106 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [1,1,0,0,0,0|2,0,0]=4 4107 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [1,1,0,0,0,0|1,0,0]=3 4108 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [1,1,0,0,0,0|1,0,0]=3 4109 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [1,1,0,0,0,0|1,0,0]=3 4110 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [1,1,0,0,0,0|2,0,0]=4 4111 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [1,1,0,0,0,0|2,0,0]=4 4112 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [1,1,0,0,0,0|2,0,0]=4 4113 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,1,0,0,0,0|1,0,0]=3 4114 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [1,1,0,0,0,0|1,0,0]=3 4115 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [1,1,0,0,0,0|1,0,0]=3 4116 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,1,0,0,0,0|0,0,0]=2 4117 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,1,0,0,0,0|0,0,0]=2 4118 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [1,1,0,0,0,0|1,0,0]=3 4119 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [1,1,0,0,0,0|1,0,0]=3 4120 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [1,1,0,0,0,0|1,0,0]=3 4121 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [1,1,0,0,0,0|1,0,0]=3 4122 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [1,1,0,0,0,0|1,0,0]=3 4123 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [1,1,0,0,0,0|1,0,0]=3 4124 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [1,1,0,0,0,0|1,1,0]=4 4125 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [1,1,0,0,0,0|1,1,0]=4 4126 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [1,1,0,0,0,0|0,1,0]=3 4127 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [1,1,0,0,0,0|0,1,0]=3 4128 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [1,1,0,0,0,0|1,1,0]=4 4129 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [1,1,0,0,0,0|1,1,0]=4 4130 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [1,1,0,0,0,0|1,1,0]=4 4131 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [1,1,0,0,0,0|1,1,0]=4 4132 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [1,1,0,0,0,0|1,1,0]=4 4133 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [1,1,0,0,0,0|1,1,0]=4 4134 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,1,0,0,0,0|0,1,0]=3 4135 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,1,0,0,0,0|0,1,0]=3 4136 B10R1.30 Cc1ccc(c(n1)O[13CH3])Br 34a_100009817604_200025704644 [1,1,0,0,0,0|2,0,0]=4 4137 B10R1.30 Cc1ccc(c(n1)O[13CH3])N 34a_100000687486_200025704644 [1,1,0,0,0,0|2,0,0]=4 4138 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_100009854376_200025704644 [1,1,0,0,0,0|1,1,0]=4 4139 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_200025704644_100009854376 [1,1,0,0,0,0|1,1,0]=4 4140 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [1,1,0,0,0,0|1,1,0]=4 4141 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [1,1,0,0,0,0|1,1,0]=4 4142 B10R1.30 Cc1ccc(cc1C#N)O 271570a_203496583355_100000698047 [1,1,0,0,0,0|2,0,0]=4 4143 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,1,0,0,0,0|2,0,0]=4 4144 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [1,1,0,0,0,0|2,0,0]=4 4145 B10R1.30 Cc1ccc(cc1N[13CH3])Br 34a_100000741167_200025704644 [1,1,0,0,0,0|1,0,0]=3 4146 B10R1.30 Cc1ccc(cc1N[13CH3])Br 7a_100000741167_200025704644 [1,1,0,0,0,0|1,0,0]=3 4147 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 34a_100000211374_200025704644 [1,1,0,0,0,0|1,0,0]=3 4148 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 7a_100000211374_200025704644 [1,1,0,0,0,0|1,0,0]=3 4149 B10R1.30 Cc1ccc(cc1N[13CH3])F 34a_100000211107_200025704644 [1,1,0,0,0,0|1,0,0]=3 4150 B10R1.30 Cc1ccc(cc1N[13CH3])F 7a_100000211107_200025704644 [1,1,0,0,0,0|1,0,0]=3 4151 B10R1.30 Cc1ccc(cc1N[13CH3])I 7a_100000761890_200025704644 [1,1,0,0,0,0|1,0,0]=3 4152 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [1,1,0,0,0,0|1,0,0]=3 4153 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [1,1,0,0,0,0|0,0,0]=2 4154 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [1,1,0,0,0,0|0,0,0]=2 4155 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [1,1,0,0,0,0|0,0,0]=2 4156 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [1,1,0,0,0,0|0,0,0]=2 4157 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [1,1,0,0,0,0|0,0,0]=2 4158 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [1,1,0,0,0,0|0,0,0]=2 4159 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [1,1,0,0,0,0|0,0,0]=2 4160 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,1,0,0,0,0|0,0,0]=2 4161 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,1,0,0,0,0|0,0,0]=2 4162 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_100011344865_200025704644 [1,1,0,0,0,0|0,1,0]=3 4163 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_200025704644_100011344865 [1,1,0,0,0,0|0,1,0]=3 4164 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_100011263213_200025704644 [1,1,0,0,0,0|0,1,0]=3 4165 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011263213 [1,1,0,0,0,0|0,1,0]=3 4166 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_100011218078_200025704644 [1,1,0,0,0,0|0,1,0]=3 4167 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_200025704644_100011218078 [1,1,0,0,0,0|0,1,0]=3 4168 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,1,0,0,0,0|0,1,0]=3 4169 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,1,0,0,0,0|0,1,0]=3 4170 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [1,1,0,0,0,0|0,1,0]=3 4171 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [1,1,0,0,0,0|0,1,0]=3 4172 B10R1.30 Cc1ccc(nc1S[13CH3])N 62a_100000126722_200025704644 [1,1,0,0,0,0|1,1,0]=4 4173 B10R1.30 Cc1ccc(nc1S[13CH3])N 62a_200025704644_100000126722 [1,1,0,0,0,0|1,1,0]=4 4174 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 34a_100012000487_200025704644 [1,1,0,0,0,0|2,0,0]=4 4175 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 7a_100012000487_200025704644 [1,1,0,0,0,0|2,0,0]=4 4176 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 34a_100009849810_200025704644 [1,1,0,0,0,0|2,0,0]=4 4177 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 7a_100009849810_200025704644 [1,1,0,0,0,0|2,0,0]=4 4178 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_100009817436_200025704644 [1,1,0,0,0,0|1,1,0]=4 4179 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_200025704644_100009817436 [1,1,0,0,0,0|1,1,0]=4 4180 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [1,1,0,0,0,0|1,1,0]=4 4181 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [1,1,0,0,0,0|1,1,0]=4 4182 B10R1.30 Cc1cnc(cc1O[13CH3])Br 34a_100000704368_200025704644 [1,1,0,0,0,0|1,0,0]=3 4183 B10R1.30 Cc1cnc(cc1O[13CH3])Br 7a_100000704368_200025704644 [1,1,0,0,0,0|1,0,0]=3 4184 B10R1.30 Cc1cnc(cc1S[13CH3])Br 62a_100010067628_200025704644 [1,1,0,0,0,0|1,1,0]=4 4185 B10R1.30 Cc1cnc(cc1S[13CH3])Br 62a_200025704644_100010067628 [1,1,0,0,0,0|1,1,0]=4 4186 B10R1.30 Cc1cnc(cc1S[13CH3])Cl 62a_100010068021_200025704644 [1,1,0,0,0,0|1,1,0]=4 4187 B10R1.30 Cc1cnc(cc1S[13CH3])Cl 62a_200025704644_100010068021 [1,1,0,0,0,0|1,1,0]=4 4188 B10R1.30 Cc1cnc(cc1S[13CH3])F 62a_100000049870_200025704644 [1,1,0,0,0,0|1,1,0]=4 4189 B10R1.30 Cc1cnc(cc1S[13CH3])F 62a_200025704644_100000049870 [1,1,0,0,0,0|1,1,0]=4 4190 B10R1.30 Cc1cnc(cc1S[13CH3])N 62a_100009819938_200025704644 [1,1,0,0,0,0|1,1,0]=4 4191 B10R1.30 Cc1cnc(cc1S[13CH3])N 62a_200025704644_100009819938 [1,1,0,0,0,0|1,1,0]=4 4192 B10R1.30 Cc1cnc(cc1S[13CH3])O 62a_100009831917_200025704644 [1,1,0,0,0,0|1,1,0]=4 4193 B10R1.30 Cc1cnc(cc1S[13CH3])O 62a_200025704644_100009831917 [1,1,0,0,0,0|1,1,0]=4 4194 B10R1.30 Cc1ncc(cc1O[13CH3])Br 34a_100009864810_200025704644 [1,1,0,0,0,0|1,0,0]=3 4195 B10R1.30 Cc1ncc(cc1O[13CH3])Br 7a_100009864810_200025704644 [1,1,0,0,0,0|1,0,0]=3 4196 B10R1.30 Cc1ncc(cc1S[13CH3])Br 62a_200010090566_200025704644 [1,1,0,0,0,0|1,1,0]=4 4197 B10R1.30 Cc1ncc(cc1S[13CH3])Br 62a_200025704644_200010090566 [1,1,0,0,0,0|1,1,0]=4 4198 B10R1.30 Cc1ncc(cc1S[13CH3])F 62a_100009860710_200025704644 [1,1,0,0,0,0|1,1,0]=4 4199 B10R1.30 Cc1ncc(cc1S[13CH3])F 62a_200025704644_100009860710 [1,1,0,0,0,0|1,1,0]=4 4200 B10R1.30 Cc1ncc(cc1S[13CH3])N 62a_100011998591_200025704644 [1,1,0,0,0,0|1,1,0]=4 4201 B10R1.30 Cc1ncc(cc1S[13CH3])N 62a_200025704644_100011998591 [1,1,0,0,0,0|1,1,0]=4 4202 B10R1.30 Cc1ncc(cc1S[13CH3])O 62a_100009819603_200025704644 [1,1,0,0,0,0|1,1,0]=4 4203 B10R1.30 Cc1ncc(cc1S[13CH3])O 62a_200025704644_100009819603 [1,1,0,0,0,0|1,1,0]=4 4204 B10R1.30 N#Cc1cc(ccc1O)Br 271570a_203496583355_100011219714 [1,1,0,0,0,0|2,0,0]=4 4205 B10R1.30 N#Cc1cc(ccc1O)Cl 271570a_203496583355_200011356825 [1,1,0,0,0,0|2,0,0]=4 4206 B10R1.30 N#Cc1cc(ccc1O)F 271570a_203496583355_100000747550 [1,1,0,0,0,0|2,0,0]=4 4207 B10R1.30 N#Cc1cc(ccc1O)N 271570a_203496583355_100011934039 [1,1,0,0,0,0|2,0,0]=4 4208 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,1,0,0,0,0|2,0,0]=4 4209 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,1,0,0,0,0|2,0,0]=4 4210 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [1,1,0,0,0,0|2,0,0]=4 4211 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,1,0,0,0,0|2,0,0]=4 4212 B10R1.30 NNc1cc(ccc1O)F 271570a_203496583355_100012362518 [1,1,0,0,0,0|2,0,0]=4 4213 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,1,0,0,0,0|2,0,0]=4 4214 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,1,0,0,0,0|2,0,0]=4 4215 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,1,0,0,0,0|2,0,0]=4 4216 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,1,0,0,0,0|2,0,0]=4 4217 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,1,0,0,0,0|2,0,0]=4 4218 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,1,0,0,0,0|2,0,0]=4 4219 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,1,0,0,0,0|2,0,0]=4 4220 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,1,0,0,0,0|2,0,0]=4 4221 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,1,0,0,0,0|2,0,0]=4 4222 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,1,0,0,0,0|2,0,0]=4 4223 B10R1.30 [13CH3]Nc1cc(ccc1Br)Br 34a_100000737762_200025704644 [1,1,0,0,0,0|2,0,0]=4 4224 B10R1.30 [13CH3]Nc1cc(ccc1Br)Cl 34a_100000687073_200025704644 [1,1,0,0,0,0|2,0,0]=4 4225 B10R1.30 [13CH3]Nc1cc(ccc1Br)F 34a_100000687223_200025704644 [1,1,0,0,0,0|2,0,0]=4 4226 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [1,1,0,0,0,0|2,0,0]=4 4227 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Br 34a_100000750497_200025704644 [1,1,0,0,0,0|2,0,0]=4 4228 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Cl 34a_100000184485_200025704644 [1,1,0,0,0,0|2,0,0]=4 4229 B10R1.30 [13CH3]Nc1cc(ccc1Cl)F 34a_100000751338_200025704644 [1,1,0,0,0,0|2,0,0]=4 4230 B10R1.30 [13CH3]Nc1cc(ccc1Cl)I 34a_200000761891_200025704644 [1,1,0,0,0,0|2,0,0]=4 4231 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [1,1,0,0,0,0|2,0,0]=4 4232 B10R1.30 [13CH3]Nc1cc(ccc1F)Br 34a_100000740924_200025704644 [1,1,0,0,0,0|2,0,0]=4 4233 B10R1.30 [13CH3]Nc1cc(ccc1F)Cl 34a_100000212115_200025704644 [1,1,0,0,0,0|2,0,0]=4 4234 B10R1.30 [13CH3]Nc1cc(ccc1F)F 34a_100000210742_200025704644 [1,1,0,0,0,0|2,0,0]=4 4235 B10R1.30 [13CH3]Nc1cc(ccc1F)I 34a_100011464823_200025704644 [1,1,0,0,0,0|2,0,0]=4 4236 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [1,1,0,0,0,0|2,0,0]=4 4237 B10R1.30 [13CH3]Nc1cc(ccc1I)Br 34a_100000743836_200025704644 [1,1,0,0,0,0|2,0,0]=4 4238 B10R1.30 [13CH3]Nc1cc(ccc1I)Cl 34a_100000761886_200025704644 [1,1,0,0,0,0|2,0,0]=4 4239 B10R1.30 [13CH3]Nc1cc(ccc1I)F 34a_100011218093_200025704644 [1,1,0,0,0,0|2,0,0]=4 4240 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,1,0,0,0,0|1,0,0]=3 4241 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,1,0,0,0,0|1,0,0]=3 4242 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,1,0,0,0,0|1,0,0]=3 4243 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [1,1,0,0,0,0|2,0,0]=4 4244 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4245 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4246 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [1,1,0,0,0,0|1,0,0]=3 4247 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [1,1,0,0,0,0|1,0,0]=3 4248 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [1,1,0,0,0,0|1,0,0]=3 4249 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [1,1,0,0,0,0|1,0,0]=3 4250 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [1,1,0,0,0,0|1,0,0]=3 4251 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [1,1,0,0,0,0|1,0,0]=3 4252 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [1,1,0,0,0,0|1,0,0]=3 4253 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [1,1,0,0,0,0|1,0,0]=3 4254 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [1,1,0,0,0,0|1,0,0]=3 4255 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [1,1,0,0,0,0|1,0,0]=3 4256 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [1,1,0,0,0,0|1,0,0]=3 4257 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [1,1,0,0,0,0|1,0,0]=3 4258 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [1,1,0,0,0,0|1,0,0]=3 4259 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [1,1,0,0,0,0|1,0,0]=3 4260 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,1,0,0,0,0|1,0,0]=3 4261 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [1,1,0,0,0,0|1,0,0]=3 4262 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [1,1,0,0,0,0|1,0,0]=3 4263 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [1,1,0,0,0,0|1,0,0]=3 4264 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [1,1,0,0,0,0|1,0,0]=3 4265 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [1,1,0,0,0,0|1,0,0]=3 4266 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [1,1,0,0,0,0|1,0,0]=3 4267 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4268 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4269 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4270 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4271 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [1,1,0,0,0,0|1,0,0]=3 4272 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [1,1,0,0,0,0|1,0,0]=3 4273 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4274 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4275 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [1,1,0,0,0,0|1,0,0]=3 4276 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [1,1,0,0,0,0|1,0,0]=3 4277 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [1,1,0,0,0,0|1,0,0]=3 4278 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [1,1,0,0,0,0|1,0,0]=3 4279 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [1,1,0,0,0,0|1,0,0]=3 4280 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [1,1,0,0,0,0|1,0,0]=3 4281 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [1,1,0,0,0,0|1,0,0]=3 4282 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [1,1,0,0,0,0|1,0,0]=3 4283 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4284 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4285 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,1,0,0,0,0|1,0,0]=3 4286 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 34a_100000697010_200025704644 [1,1,0,0,0,0|2,0,0]=4 4287 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 7a_100000697010_200025704644 [1,1,0,0,0,0|2,0,0]=4 4288 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 34a_100009820119_200025704644 [1,1,0,0,0,0|2,0,0]=4 4289 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 7a_100009820119_200025704644 [1,1,0,0,0,0|2,0,0]=4 4290 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 34a_100012354860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4291 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 7a_100012354860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4292 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 34a_100000079967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4293 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 7a_100000079967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4294 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 34a_100009819871_200025704644 [1,1,0,0,0,0|2,0,0]=4 4295 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 7a_100009819871_200025704644 [1,1,0,0,0,0|2,0,0]=4 4296 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 34a_100000094372_200025704644 [1,1,0,0,0,0|2,0,0]=4 4297 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 7a_100000094372_200025704644 [1,1,0,0,0,0|2,0,0]=4 4298 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 34a_100010210634_200025704644 [1,1,0,0,0,0|2,0,0]=4 4299 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 7a_100010210634_200025704644 [1,1,0,0,0,0|2,0,0]=4 4300 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 34a_100010233512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4301 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 7a_100010233512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4302 B10R1.30 [13CH3]Oc1cc(cnc1I)F 34a_100015624800_200025704644 [1,1,0,0,0,0|2,0,0]=4 4303 B10R1.30 [13CH3]Oc1cc(cnc1I)F 7a_100015624800_200025704644 [1,1,0,0,0,0|2,0,0]=4 4304 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 34a_100009819042_200025704644 [1,1,0,0,0,0|2,0,0]=4 4305 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 7a_100009819042_200025704644 [1,1,0,0,0,0|2,0,0]=4 4306 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 34a_100000123674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4307 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 7a_100000123674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4308 B10R1.30 [13CH3]Oc1cc(cnc1N)F 34a_100000094369_200025704644 [1,1,0,0,0,0|2,0,0]=4 4309 B10R1.30 [13CH3]Oc1cc(cnc1N)F 7a_100000094369_200025704644 [1,1,0,0,0,0|2,0,0]=4 4310 B10R1.30 [13CH3]Oc1cc(ncc1Br)Br 34a_100010235016_200025704644 [1,1,0,0,0,0|2,0,0]=4 4311 B10R1.30 [13CH3]Oc1cc(ncc1Br)Cl 34a_100010173860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4312 B10R1.30 [13CH3]Oc1cc(ncc1Cl)Br 34a_100010173861_200025704644 [1,1,0,0,0,0|2,0,0]=4 4313 B10R1.30 [13CH3]Oc1cc(ncc1F)Br 34a_100009854642_200025704644 [1,1,0,0,0,0|2,0,0]=4 4314 B10R1.30 [13CH3]Oc1cc(ncc1F)Cl 34a_100009851168_200025704644 [1,1,0,0,0,0|2,0,0]=4 4315 B10R1.30 [13CH3]Oc1nc(ccc1F)Cl 34a_100010729010_200025704644 [1,1,0,0,0,0|2,0,0]=4 4316 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_100011483371_200025704644 [1,1,0,0,0,0|1,1,0]=4 4317 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_200025704644_100011483371 [1,1,0,0,0,0|1,1,0]=4 4318 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_100012339723_200025704644 [1,1,0,0,0,0|1,1,0]=4 4319 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_200025704644_100012339723 [1,1,0,0,0,0|1,1,0]=4 4320 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_100011217576_200025704644 [1,1,0,0,0,0|1,1,0]=4 4321 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_200025704644_100011217576 [1,1,0,0,0,0|1,1,0]=4 4322 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_100000750459_200025704644 [1,1,0,0,0,0|1,1,0]=4 4323 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_200025704644_100000750459 [1,1,0,0,0,0|1,1,0]=4 4324 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [1,1,0,0,0,0|1,1,0]=4 4325 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [1,1,0,0,0,0|1,1,0]=4 4326 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_100011772130_200025704644 [1,1,0,0,0,0|1,1,0]=4 4327 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_200025704644_100011772130 [1,1,0,0,0,0|1,1,0]=4 4328 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_100000707729_200025704644 [1,1,0,0,0,0|1,1,0]=4 4329 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_200025704644_100000707729 [1,1,0,0,0,0|1,1,0]=4 4330 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_100011217299_200025704644 [1,1,0,0,0,0|1,1,0]=4 4331 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_200025704644_100011217299 [1,1,0,0,0,0|1,1,0]=4 4332 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_100012360549_200025704644 [1,1,0,0,0,0|1,1,0]=4 4333 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_200025704644_100012360549 [1,1,0,0,0,0|1,1,0]=4 4334 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [1,1,0,0,0,0|1,1,0]=4 4335 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [1,1,0,0,0,0|1,1,0]=4 4336 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_100011217312_200025704644 [1,1,0,0,0,0|1,1,0]=4 4337 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_200025704644_100011217312 [1,1,0,0,0,0|1,1,0]=4 4338 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_100011218116_200025704644 [1,1,0,0,0,0|1,1,0]=4 4339 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_200025704644_100011218116 [1,1,0,0,0,0|1,1,0]=4 4340 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_100011219198_200025704644 [1,1,0,0,0,0|1,1,0]=4 4341 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_200025704644_100011219198 [1,1,0,0,0,0|1,1,0]=4 4342 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_100000760356_200025704644 [1,1,0,0,0,0|1,1,0]=4 4343 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_200025704644_100000760356 [1,1,0,0,0,0|1,1,0]=4 4344 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [1,1,0,0,0,0|1,1,0]=4 4345 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [1,1,0,0,0,0|1,1,0]=4 4346 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_100000187925_200025704644 [1,1,0,0,0,0|1,1,0]=4 4347 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_200025704644_100000187925 [1,1,0,0,0,0|1,1,0]=4 4348 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_100000761889_200025704644 [1,1,0,0,0,0|1,1,0]=4 4349 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_200025704644_100000761889 [1,1,0,0,0,0|1,1,0]=4 4350 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_100000760547_200025704644 [1,1,0,0,0,0|1,1,0]=4 4351 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_200025704644_100000760547 [1,1,0,0,0,0|1,1,0]=4 4352 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_100011534242_200025704644 [1,1,0,0,0,0|1,1,0]=4 4353 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_200025704644_100011534242 [1,1,0,0,0,0|1,1,0]=4 4354 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [1,1,0,0,0,0|1,1,0]=4 4355 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [1,1,0,0,0,0|1,1,0]=4 4356 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,1,0,0,0,0|0,1,0]=3 4357 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,1,0,0,0,0|0,1,0]=3 4358 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,1,0,0,0,0|0,1,0]=3 4359 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,1,0,0,0,0|0,1,0]=3 4360 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,1,0,0,0,0|0,1,0]=3 4361 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,1,0,0,0,0|0,1,0]=3 4362 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,1,0,0,0,0|0,1,0]=3 4363 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,1,0,0,0,0|0,1,0]=3 4364 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,1,0,0,0,0|0,1,0]=3 4365 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_100010197142_200025704644 [1,1,0,0,0,0|1,1,0]=4 4366 B10R1.30 [13CH3]Sc1cc(cnc1O)Br 62a_200025704644_100010197142 [1,1,0,0,0,0|1,1,0]=4 4367 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_100010188700_200025704644 [1,1,0,0,0,0|1,1,0]=4 4368 B10R1.30 [13CH3]Sc1cc(cnc1O)Cl 62a_200025704644_100010188700 [1,1,0,0,0,0|1,1,0]=4 4369 B10R1.30 [13CH3]Sc1cc(ncc1O)Cl 62a_100000698892_200025704644 [1,1,0,0,0,0|1,1,0]=4 4370 B10R1.30 [13CH3]Sc1cc(ncc1O)Cl 62a_200025704644_100000698892 [1,1,0,0,0,0|1,1,0]=4 4371 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_100010253912_200025704644 [1,1,0,0,0,0|1,1,0]=4 4372 B10R1.30 [13CH3]Sc1nc(ccc1O)Br 62a_200025704644_100010253912 [1,1,0,0,0,0|1,1,0]=4 4373 B10R1.30 [13CH3]Sc1nc(ccc1O)Cl 62a_200025704644_100000696390 [1,1,0,0,0,0|1,1,0]=4 4374 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_100010382442_200025704644 [1,1,0,0,0,0|1,1,0]=4 4375 B10R1.30 [13CH3]Sc1nc(ccc1O)F 62a_200025704644_100010382442 [1,1,0,0,0,0|1,1,0]=4 4376 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [1,1,0,0,0,0|2,0,0]=4 4377 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [1,1,0,0,0,0|2,0,0]=4 4378 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [1,1,0,0,0,0|1,0,0]=3 4379 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [1,1,0,0,0,0|2,0,0]=4 4380 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [1,1,0,0,0,0|2,0,0]=4 4381 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [1,1,0,0,0,0|2,0,0]=4 4382 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,1,0,0,0,0|1,0,0]=3 4383 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,1,0,0,0,0|2,0,0]=4 4384 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [1,1,0,0,0,0|2,0,0]=4 4385 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [1,1,0,0,0,0|2,0,0]=4 4386 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [1,1,0,0,0,0|2,0,0]=4 4387 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,1,0,0,0,0|2,0,0]=4 4388 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,1,0,0,0,0|2,0,0]=4 4389 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|2,0,0]=4 4390 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|1,0,0]=3 4391 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|2,0,0]=4 4392 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|2,0,0]=4 4393 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|2,0,0]=4 4394 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|1,0,0]=3 4395 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|1,0,0]=3 4396 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|1,0,1]=4 4397 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|2,0,0]=4 4398 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,1,0,0,0,0|2,0,0]=4 4399 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|2,0,0]=4 4400 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,1,0,0,0,0|2,0,0]=4 4401 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,1,0,0,0,0|1,0,0]=3 4402 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [1,1,0,0,0,0|2,0,0]=4 4403 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,1,0,0,0,0|1,0,0]=3 4404 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [1,1,0,0,0,0|2,0,0]=4 4405 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,1,0,0,0,0|1,0,0]=3 4406 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,1,0,0,0,0|2,0,0]=4 4407 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 4408 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 4409 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [1,1,0,0,0,0|2,0,0]=4 4410 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 4411 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 4412 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [1,1,0,0,0,0|2,0,0]=4 4413 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4414 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4415 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4416 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [1,1,0,0,0,0|2,0,0]=4 4417 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,1,0,0,0,0|1,0,0]=3 4418 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,1,0,0,0,0|1,0,0]=3 4419 B10R1.61 CN(C)c1ccncc1O 271570a_203496583355_100012355995 [1,1,0,0,0,0|2,0,0]=4 4420 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [1,1,0,0,0,0|2,0,0]=4 4421 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 4422 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 4423 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [1,1,0,0,0,0|2,0,0]=4 4424 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4425 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4426 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4427 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4428 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4429 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4430 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [1,1,0,0,0,0|2,0,0]=4 4431 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,1,0,0,0,0|1,0,0]=3 4432 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,1,0,0,0,0|0,1,0]=3 4433 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [1,1,0,0,0,0|2,0,0]=4 4434 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|1,0,0]=3 4435 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [1,1,0,0,0,0|1,0,0]=3 4436 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [1,1,0,0,0,0|1,0,0]=3 4437 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [1,1,0,0,0,0|1,0,0]=3 4438 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [1,1,0,0,0,0|1,0,0]=3 4439 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [1,1,0,0,0,0|1,0,0]=3 4440 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [1,1,0,0,0,0|1,0,0]=3 4441 B10R1.61 Cc1cnccc1N(C)C 27a_100102631434_100000765111 [1,1,0,0,0,0|2,0,0]=4 4442 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|2,0,0]=4 4443 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,1,0,0,0,0|2,0,0]=4 4444 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [1,1,0,0,0,0|2,0,0]=4 4445 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|2,0,0]=4 4446 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|2,0,0]=4 4447 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|2,0,0]=4 4448 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|2,0,0]=4 4449 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|1,0,0]=3 4450 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|1,0,1]=4 4451 B10R1.245 C=Cc1c(cccc1Br)O 271570a_100011290941_100010187912 [1,1,0,0,0,0|1,0,1]=4 4452 B10R1.245 C=Cc1c(cccc1C)C 271570a_100011290941_100000033847 [1,1,0,0,0,0|1,0,1]=4 4453 B10R1.245 C=Cc1c(cccc1Cl)C 271570a_100011290941_100000043165 [1,1,0,0,0,0|1,0,1]=4 4454 B10R1.245 C=Cc1c(cccc1Cl)O 271570a_100011290941_100000050174 [1,1,0,0,0,0|1,0,1]=4 4455 B10R1.245 C=Cc1c(cccc1F)C 271570a_100011290941_100012349962 [1,1,0,0,0,0|1,0,1]=4 4456 B10R1.245 C=Cc1c(cccc1F)O 271570a_100011290941_100009820682 [1,1,0,0,0,0|1,0,1]=4 4457 B10R1.245 C=Cc1c(cccc1N)C 271570a_100011290941_100000684715 [1,1,0,0,0,0|1,0,1]=4 4458 B10R1.245 C=Cc1c(cccc1O)C 271570a_100011290941_100000686692 [1,1,0,0,0,0|1,0,1]=4 4459 B10R1.245 C=Cc1c(cccc1O)N 271570a_100011290941_100012183704 [1,1,0,0,0,0|1,0,1]=4 4460 B10R1.245 C=Cc1c(cccc1O)O 271570a_100011290941_100010205330 [1,1,0,0,0,0|1,0,1]=4 4461 B10R1.245 CNc1c(cccc1Br)Br 34a_100000690995_200000210301 [1,1,0,0,0,0|2,0,0]=4 4462 B10R1.245 CNc1c(cccc1Br)C 34a_100011834072_200000210301 [1,1,0,0,0,0|1,0,0]=3 4463 B10R1.245 CNc1c(cccc1Br)Cl 34a_100102946385_200000210301 [1,1,0,0,0,0|2,0,0]=4 4464 B10R1.245 CNc1c(cccc1Br)F 34a_100000684712_200000210301 [1,1,0,0,0,0|2,0,0]=4 4465 B10R1.245 CNc1c(cccc1Br)O 34a_100011934926_200000210301 [1,1,0,0,0,0|1,0,0]=3 4466 B10R1.245 CNc1c(cccc1C)C 34a_100000185769_200000210301 [1,1,0,0,0,0|1,0,0]=3 4467 B10R1.245 CNc1c(cccc1Cl)C 34a_100000756524_200000210301 [1,1,0,0,0,0|1,0,0]=3 4468 B10R1.245 CNc1c(cccc1Cl)Cl 34a_100000210028_200000210301 [1,1,0,0,0,0|2,0,0]=4 4469 B10R1.245 CNc1c(cccc1Cl)F 34a_100000760031_200000210301 [1,1,0,0,0,0|2,0,0]=4 4470 B10R1.245 CNc1c(cccc1Cl)O 34a_100012022510_200000210301 [1,1,0,0,0,0|1,0,0]=3 4471 B10R1.245 CNc1c(cccc1F)C 34a_100000766463_200000210301 [1,1,0,0,0,0|1,0,0]=3 4472 B10R1.245 CNc1c(cccc1F)F 2230a_100000210704_200000210301 [1,1,0,0,0,0|2,0,0]=4 4473 B10R1.245 CNc1c(cccc1F)F 34a_100000210704_200000210301 [1,1,0,0,0,0|2,0,0]=4 4474 B10R1.245 CNc1c(cccc1F)O 34a_100020591140_200000210301 [1,1,0,0,0,0|1,0,0]=3 4475 B10R1.245 CNc1c(cccc1I)F 34a_100000042321_200000210301 [1,1,0,0,0,0|2,0,0]=4 4476 B10R1.245 CNc1c(cccc1O)C 34a_100000743429_200000210301 [1,1,0,0,0,0|1,0,0]=3 4477 B10R1.245 CNc1c(cccc1O)N 271570a_203496583355_100010510394 [1,1,0,0,0,0|1,0,0]=3 4478 B10R1.245 CNc1c(ccnc1F)C 27a_100102657272_100009818256 [1,1,0,0,0,0|2,0,0]=4 4479 B10R1.245 COc1c(cccc1Br)Br 34a_100000736428_200000210301 [1,1,0,0,0,0|1,0,0]=3 4480 B10R1.245 COc1c(cccc1Br)Br 7a_100000736428_200000210301 [1,1,0,0,0,0|1,0,0]=3 4481 B10R1.245 COc1c(cccc1Br)C 34a_100009817157_200000210301 [1,1,0,0,0,0|0,0,0]=2 4482 B10R1.245 COc1c(cccc1Br)C 7a_100009817157_200000210301 [1,1,0,0,0,0|0,0,0]=2 4483 B10R1.245 COc1c(cccc1Br)Cl 34a_100010214474_200000210301 [1,1,0,0,0,0|1,0,0]=3 4484 B10R1.245 COc1c(cccc1Br)Cl 7a_100010214474_200000210301 [1,1,0,0,0,0|1,0,0]=3 4485 B10R1.245 COc1c(cccc1Br)F 34a_100009813666_200000210301 [1,1,0,0,0,0|1,0,0]=3 4486 B10R1.245 COc1c(cccc1Br)F 7a_100009813666_200000210301 [1,1,0,0,0,0|1,0,0]=3 4487 B10R1.245 COc1c(cccc1Br)N 34a_100011934915_200000210301 [1,1,0,0,0,0|1,0,0]=3 4488 B10R1.245 COc1c(cccc1Br)O 271570a_203496583355_100010146560 [1,1,0,0,0,0|0,0,0]=2 4489 B10R1.245 COc1c(cccc1C)C 34a_100000210341_200000210301 [1,1,0,0,0,0|0,0,0]=2 4490 B10R1.245 COc1c(cccc1C)C 7a_100000210341_200000210301 [1,1,0,0,0,0|0,0,0]=2 4491 B10R1.245 COc1c(cccc1Cl)C 34a_100000033731_200000210301 [1,1,0,0,0,0|0,0,0]=2 4492 B10R1.245 COc1c(cccc1Cl)C 7a_100000033731_200000210301 [1,1,0,0,0,0|0,0,0]=2 4493 B10R1.245 COc1c(cccc1Cl)Cl 34a_100000211709_200000210301 [1,1,0,0,0,0|1,0,0]=3 4494 B10R1.245 COc1c(cccc1Cl)Cl 7a_100000211709_200000210301 [1,1,0,0,0,0|1,0,0]=3 4495 B10R1.245 COc1c(cccc1Cl)F 34a_100000694953_200000210301 [1,1,0,0,0,0|1,0,0]=3 4496 B10R1.245 COc1c(cccc1Cl)F 7a_100000694953_200000210301 [1,1,0,0,0,0|1,0,0]=3 4497 B10R1.245 COc1c(cccc1Cl)N 34a_100000754742_200000210301 [1,1,0,0,0,0|1,0,0]=3 4498 B10R1.245 COc1c(cccc1Cl)O 271570a_203496583355_100010147678 [1,1,0,0,0,0|0,0,0]=2 4499 B10R1.245 COc1c(cccc1F)C 34a_100011659162_200000210301 [1,1,0,0,0,0|0,0,0]=2 4500 B10R1.245 COc1c(cccc1F)C 7a_100011659162_200000210301 [1,1,0,0,0,0|0,0,0]=2 4501 B10R1.245 COc1c(cccc1F)F 34a_100000230165_200000210301 [1,1,0,0,0,0|1,0,0]=3 4502 B10R1.245 COc1c(cccc1F)F 7a_100000230165_200000210301 [1,1,0,0,0,0|1,0,0]=3 4503 B10R1.245 COc1c(cccc1F)N 34a_100011934987_200000210301 [1,1,0,0,0,0|1,0,0]=3 4504 B10R1.245 COc1c(cccc1F)O 271570a_203496583355_100009816759 [1,1,0,0,0,0|0,0,0]=2 4505 B10R1.245 COc1c(cccc1I)Br 34a_100010084509_200000210301 [1,1,0,0,0,0|1,0,0]=3 4506 B10R1.245 COc1c(cccc1I)Br 7a_100010084509_200000210301 [1,1,0,0,0,0|1,0,0]=3 4507 B10R1.245 COc1c(cccc1I)Cl 34a_100010202889_200000210301 [1,1,0,0,0,0|1,0,0]=3 4508 B10R1.245 COc1c(cccc1I)Cl 7a_100010202889_200000210301 [1,1,0,0,0,0|1,0,0]=3 4509 B10R1.245 COc1c(cccc1I)F 34a_100010186298_200000210301 [1,1,0,0,0,0|1,0,0]=3 4510 B10R1.245 COc1c(cccc1I)F 7a_100010186298_200000210301 [1,1,0,0,0,0|1,0,0]=3 4511 B10R1.245 COc1c(cccc1I)N 34a_100010084371_200000210301 [1,1,0,0,0,0|1,0,0]=3 4512 B10R1.245 COc1c(cccc1N)C 34a_100000756359_200000210301 [1,1,0,0,0,0|0,0,0]=2 4513 B10R1.245 COc1c(cccc1N)C 7a_100000756359_200000210301 [1,1,0,0,0,0|0,0,0]=2 4514 B10R1.245 COc1c(cccc1N)N 34a_200016994477_200000210301 [1,1,0,0,0,0|1,0,0]=3 4515 B10R1.245 COc1c(cccc1O)C 271570a_203496583355_100010141385 [1,1,0,0,0,0|0,0,0]=2 4516 B10R1.245 COc1c(cccc1O)N 271570a_203496583355_100011935253 [1,1,0,0,0,0|0,0,0]=2 4517 B10R1.245 COc1c(cccc1O)O 271570a_203496583355_100010234590 [1,1,0,0,0,0|0,0,0]=2 4518 B10R1.245 COc1c(ccnc1C)C 34a_100011934651_200000210301 [1,1,0,0,0,0|1,0,0]=3 4519 B10R1.245 COc1c(ccnc1C)C 7a_100011934651_200000210301 [1,1,0,0,0,0|1,0,0]=3 4520 B10R1.245 COc1c(ccnc1C)O 271570a_203496583355_100000685116 [1,1,0,0,0,0|1,0,0]=3 4521 B10R1.245 COc1c(ccnc1Cl)C 34a_100000696282_200000210301 [1,1,0,0,0,0|1,0,0]=3 4522 B10R1.245 COc1c(ccnc1Cl)C 7a_100000696282_200000210301 [1,1,0,0,0,0|1,0,0]=3 4523 B10R1.245 COc1c(ccnc1Cl)Cl 34a_100000118450_200000210301 [1,1,0,0,0,0|2,0,0]=4 4524 B10R1.245 COc1c(ccnc1Cl)Cl 7a_100000118450_200000210301 [1,1,0,0,0,0|2,0,0]=4 4525 B10R1.245 COc1c(ccnc1Cl)F 34a_100009867227_200000210301 [1,1,0,0,0,0|2,0,0]=4 4526 B10R1.245 COc1c(ccnc1Cl)F 7a_100009867227_200000210301 [1,1,0,0,0,0|2,0,0]=4 4527 B10R1.245 COc1c(ccnc1Cl)I 34a_100010067911_200000210301 [1,1,0,0,0,0|2,0,0]=4 4528 B10R1.245 COc1c(ccnc1Cl)I 7a_100010067911_200000210301 [1,1,0,0,0,0|2,0,0]=4 4529 B10R1.245 COc1c(ccnc1Cl)N 34a_100009844647_200000210301 [1,1,0,0,0,0|2,0,0]=4 4530 B10R1.245 COc1c(ccnc1Cl)N 7a_100009844647_200000210301 [1,1,0,0,0,0|2,0,0]=4 4531 B10R1.245 COc1c(ccnc1Cl)O 271570a_203496583355_100010068014 [1,1,0,0,0,0|1,0,0]=3 4532 B10R1.245 COc1c(ccnc1N)O 271570a_203496583355_100009880012 [1,1,0,0,0,0|1,0,0]=3 4533 B10R1.245 COc1c(ccnc1O)N 271570a_203496583355_100000104429 [1,1,0,0,0,0|1,0,0]=3 4534 B10R1.245 COc1c(ccnc1O)O 271570a_203496583355_100000104430 [1,1,0,0,0,0|1,0,0]=3 4535 B10R1.245 COc1c(cncc1O)N 271570a_203496583355_100012359933 [1,1,0,0,0,0|1,0,0]=3 4536 B10R1.245 COc1c(ncnc1C)C 34a_100009878406_200000210301 [1,1,0,0,0,0|2,0,0]=4 4537 B10R1.245 COc1c(ncnc1C)C 7a_100009878406_200000210301 [1,1,0,0,0,0|2,0,0]=4 4538 B10R1.245 COc1c(ncnc1O)N 271570a_203496583355_100011998528 [1,1,0,0,0,0|2,0,0]=4 4539 B10R1.245 COc1c(occc1=O)C 34a_100000031901_200000210301 [1,1,0,0,0,0|1,0,0]=3 4540 B10R1.245 CSc1c(ccc[n+]1[O-])C 62a_200000210301_100116209805 [1,1,0,0,0,0|1,1,0]=4 4541 B10R1.245 CSc1c(cccc1Br)Br 62a_100009994525_200000210301 [1,1,0,0,0,0|1,1,0]=4 4542 B10R1.245 CSc1c(cccc1Br)Br 62a_200000210301_100009994525 [1,1,0,0,0,0|1,1,0]=4 4543 B10R1.245 CSc1c(cccc1Br)C 62a_100010141302_200000210301 [1,1,0,0,0,0|0,1,0]=3 4544 B10R1.245 CSc1c(cccc1Br)C 62a_200000210301_100010141302 [1,1,0,0,0,0|0,1,0]=3 4545 B10R1.245 CSc1c(cccc1Br)Cl 62a_100010214488_200000210301 [1,1,0,0,0,0|1,1,0]=4 4546 B10R1.245 CSc1c(cccc1Br)Cl 62a_200000210301_100010214488 [1,1,0,0,0,0|1,1,0]=4 4547 B10R1.245 CSc1c(cccc1Br)F 62a_100011219512_200000210301 [1,1,0,0,0,0|1,1,0]=4 4548 B10R1.245 CSc1c(cccc1Br)F 62a_200000210301_100011219512 [1,1,0,0,0,0|1,1,0]=4 4549 B10R1.245 CSc1c(cccc1Br)N 62a_100020590159_200000210301 [1,1,0,0,0,0|1,1,0]=4 4550 B10R1.245 CSc1c(cccc1Br)N 62a_200000210301_100020590159 [1,1,0,0,0,0|1,1,0]=4 4551 B10R1.245 CSc1c(cccc1Br)O 62a_100010187912_200000210301 [1,1,0,0,0,0|0,1,0]=3 4552 B10R1.245 CSc1c(cccc1Br)O 62a_200000210301_100010187912 [1,1,0,0,0,0|0,1,0]=3 4553 B10R1.245 CSc1c(cccc1C)C 62a_100000033847_200000210301 [1,1,0,0,0,0|0,1,0]=3 4554 B10R1.245 CSc1c(cccc1C)C 62a_200000210301_100000033847 [1,1,0,0,0,0|0,1,0]=3 4555 B10R1.245 CSc1c(cccc1Cl)C 62a_100000043165_200000210301 [1,1,0,0,0,0|0,1,0]=3 4556 B10R1.245 CSc1c(cccc1Cl)C 62a_200000210301_100000043165 [1,1,0,0,0,0|0,1,0]=3 4557 B10R1.245 CSc1c(cccc1Cl)Cl 62a_100000034237_200000210301 [1,1,0,0,0,0|1,1,0]=4 4558 B10R1.245 CSc1c(cccc1Cl)Cl 62a_200000210301_100000034237 [1,1,0,0,0,0|1,1,0]=4 4559 B10R1.245 CSc1c(cccc1Cl)F 62a_100000050007_200000210301 [1,1,0,0,0,0|1,1,0]=4 4560 B10R1.245 CSc1c(cccc1Cl)F 62a_200000210301_100000050007 [1,1,0,0,0,0|1,1,0]=4 4561 B10R1.245 CSc1c(cccc1Cl)N 62a_100000049713_200000210301 [1,1,0,0,0,0|1,1,0]=4 4562 B10R1.245 CSc1c(cccc1Cl)N 62a_200000210301_100000049713 [1,1,0,0,0,0|1,1,0]=4 4563 B10R1.245 CSc1c(cccc1Cl)O 62a_200000210301_100000050174 [1,1,0,0,0,0|0,1,0]=3 4564 B10R1.245 CSc1c(cccc1F)C 62a_100011218421_200000210301 [1,1,0,0,0,0|0,1,0]=3 4565 B10R1.245 CSc1c(cccc1F)C 62a_200000210301_100011218421 [1,1,0,0,0,0|0,1,0]=3 4566 B10R1.245 CSc1c(cccc1F)F 62a_100000693133_200000210301 [1,1,0,0,0,0|1,1,0]=4 4567 B10R1.245 CSc1c(cccc1F)F 62a_200000210301_100000693133 [1,1,0,0,0,0|1,1,0]=4 4568 B10R1.245 CSc1c(cccc1F)N 62a_100000690935_200000210301 [1,1,0,0,0,0|1,1,0]=4 4569 B10R1.245 CSc1c(cccc1F)N 62a_200000210301_100000690935 [1,1,0,0,0,0|1,1,0]=4 4570 B10R1.245 CSc1c(cccc1F)O 271570a_203496583355_200010709249 [1,1,0,0,0,0|0,1,0]=3 4571 B10R1.245 CSc1c(cccc1F)O 62a_100009820682_200000210301 [1,1,0,0,0,0|0,1,0]=3 4572 B10R1.245 CSc1c(cccc1F)O 62a_200000210301_100009820682 [1,1,0,0,0,0|0,1,0]=3 4573 B10R1.245 CSc1c(cccc1N)C 62a_100000684715_200000210301 [1,1,0,0,0,0|0,1,0]=3 4574 B10R1.245 CSc1c(cccc1N)C 62a_200000210301_100000684715 [1,1,0,0,0,0|0,1,0]=3 4575 B10R1.245 CSc1c(cccc1O)C 62a_100000686692_200000210301 [1,1,0,0,0,0|0,1,0]=3 4576 B10R1.245 CSc1c(cccc1O)C 62a_200000210301_100000686692 [1,1,0,0,0,0|0,1,0]=3 4577 B10R1.245 CSc1c(cccc1O)N 62a_100012183704_200000210301 [1,1,0,0,0,0|0,1,0]=3 4578 B10R1.245 CSc1c(cccc1O)N 62a_200000210301_100012183704 [1,1,0,0,0,0|0,1,0]=3 4579 B10R1.245 CSc1c(cccc1O)O 62a_200000210301_100010205330 [1,1,0,0,0,0|0,1,0]=3 4580 B10R1.245 CSc1c(ccnc1C)C 62a_100012000501_200000210301 [1,1,0,0,0,0|1,1,0]=4 4581 B10R1.245 CSc1c(ccnc1C)C 62a_200000210301_100012000501 [1,1,0,0,0,0|1,1,0]=4 4582 B10R1.245 CSc1c(ccnc1C)N 62a_100010243816_200000210301 [1,1,0,0,0,0|1,1,0]=4 4583 B10R1.245 CSc1c(ccnc1C)N 62a_200000210301_100010243816 [1,1,0,0,0,0|1,1,0]=4 4584 B10R1.245 CSc1c(ccnc1Cl)C 62a_100010248874_200000210301 [1,1,0,0,0,0|1,1,0]=4 4585 B10R1.245 CSc1c(ccnc1Cl)C 62a_200000210301_100010248874 [1,1,0,0,0,0|1,1,0]=4 4586 B10R1.245 CSc1c(ccnc1F)C 62a_100009818256_200000210301 [1,1,0,0,0,0|1,1,0]=4 4587 B10R1.245 CSc1c(ccnc1F)C 62a_200000210301_100009818256 [1,1,0,0,0,0|1,1,0]=4 4588 B10R1.245 CSc1c(ccnc1N)C 62a_100011998619_200000210301 [1,1,0,0,0,0|1,1,0]=4 4589 B10R1.245 CSc1c(ccnc1N)C 62a_200000210301_100011998619 [1,1,0,0,0,0|1,1,0]=4 4590 B10R1.245 CSc1c(ccnc1O)C 62a_100012000493_200000210301 [1,1,0,0,0,0|1,1,0]=4 4591 B10R1.245 CSc1c(ccnc1O)C 62a_200000210301_100012000493 [1,1,0,0,0,0|1,1,0]=4 4592 B10R1.245 CSc1c(ccnc1O)O 62a_200000210301_200009817435 [1,1,0,0,0,0|1,1,0]=4 4593 B10R1.245 CSc1c(cncc1C)C 62a_100009817138_200000210301 [1,1,0,0,0,0|1,1,0]=4 4594 B10R1.245 CSc1c(cncc1C)C 62a_200000210301_100009817138 [1,1,0,0,0,0|1,1,0]=4 4595 B10R1.245 Cc1ccc[n+](c1S[13CH3])[O-] 62a_200025704644_100116209805 [1,1,0,0,0,0|1,1,0]=4 4596 B10R1.245 Cc1cccc(c1C#N)O 271570a_203496583355_100009819585 [1,1,0,0,0,0|2,0,0]=4 4597 B10R1.245 Cc1cccc(c1C=O)O 271570a_203496583355_100000041122 [1,1,0,0,0,0|2,0,0]=4 4598 B10R1.245 Cc1cccc(c1N[13CH3])Br 34a_100011834072_200025704644 [1,1,0,0,0,0|1,0,0]=3 4599 B10R1.245 Cc1cccc(c1N[13CH3])C 34a_100000185769_200025704644 [1,1,0,0,0,0|1,0,0]=3 4600 B10R1.245 Cc1cccc(c1N[13CH3])Cl 34a_100000756524_200025704644 [1,1,0,0,0,0|1,0,0]=3 4601 B10R1.245 Cc1cccc(c1N[13CH3])F 34a_100000766463_200025704644 [1,1,0,0,0,0|1,0,0]=3 4602 B10R1.245 Cc1cccc(c1N[13CH3])O 34a_100000743429_200025704644 [1,1,0,0,0,0|1,0,0]=3 4603 B10R1.245 Cc1cccc(c1O[13CH3])Br 34a_100009817157_200025704644 [1,1,0,0,0,0|0,0,0]=2 4604 B10R1.245 Cc1cccc(c1O[13CH3])Br 7a_100009817157_200025704644 [1,1,0,0,0,0|0,0,0]=2 4605 B10R1.245 Cc1cccc(c1O[13CH3])C 34a_100000210341_200025704644 [1,1,0,0,0,0|0,0,0]=2 4606 B10R1.245 Cc1cccc(c1O[13CH3])C 7a_100000210341_200025704644 [1,1,0,0,0,0|0,0,0]=2 4607 B10R1.245 Cc1cccc(c1O[13CH3])Cl 34a_100000033731_200025704644 [1,1,0,0,0,0|0,0,0]=2 4608 B10R1.245 Cc1cccc(c1O[13CH3])Cl 7a_100000033731_200025704644 [1,1,0,0,0,0|0,0,0]=2 4609 B10R1.245 Cc1cccc(c1O[13CH3])F 34a_100011659162_200025704644 [1,1,0,0,0,0|0,0,0]=2 4610 B10R1.245 Cc1cccc(c1O[13CH3])F 7a_100011659162_200025704644 [1,1,0,0,0,0|0,0,0]=2 4611 B10R1.245 Cc1cccc(c1O[13CH3])N 34a_100000756359_200025704644 [1,1,0,0,0,0|0,0,0]=2 4612 B10R1.245 Cc1cccc(c1O[13CH3])N 7a_100000756359_200025704644 [1,1,0,0,0,0|0,0,0]=2 4613 B10R1.245 Cc1cccc(c1S[13CH3])Br 62a_100010141302_200025704644 [1,1,0,0,0,0|0,1,0]=3 4614 B10R1.245 Cc1cccc(c1S[13CH3])Br 62a_200025704644_100010141302 [1,1,0,0,0,0|0,1,0]=3 4615 B10R1.245 Cc1cccc(c1S[13CH3])C 62a_100000033847_200025704644 [1,1,0,0,0,0|0,1,0]=3 4616 B10R1.245 Cc1cccc(c1S[13CH3])C 62a_200025704644_100000033847 [1,1,0,0,0,0|0,1,0]=3 4617 B10R1.245 Cc1cccc(c1S[13CH3])Cl 62a_100000043165_200025704644 [1,1,0,0,0,0|0,1,0]=3 4618 B10R1.245 Cc1cccc(c1S[13CH3])Cl 62a_200025704644_100000043165 [1,1,0,0,0,0|0,1,0]=3 4619 B10R1.245 Cc1cccc(c1S[13CH3])F 62a_100011218421_200025704644 [1,1,0,0,0,0|0,1,0]=3 4620 B10R1.245 Cc1cccc(c1S[13CH3])F 62a_200025704644_100011218421 [1,1,0,0,0,0|0,1,0]=3 4621 B10R1.245 Cc1cccc(c1S[13CH3])N 62a_100000684715_200025704644 [1,1,0,0,0,0|0,1,0]=3 4622 B10R1.245 Cc1cccc(c1S[13CH3])N 62a_200025704644_100000684715 [1,1,0,0,0,0|0,1,0]=3 4623 B10R1.245 Cc1cccc(c1S[13CH3])O 62a_100000686692_200025704644 [1,1,0,0,0,0|0,1,0]=3 4624 B10R1.245 Cc1cccc(c1S[13CH3])O 62a_200025704644_100000686692 [1,1,0,0,0,0|0,1,0]=3 4625 B10R1.245 Cc1ccnc(c1O[13CH3])C 34a_100011934651_200025704644 [1,1,0,0,0,0|1,0,0]=3 4626 B10R1.245 Cc1ccnc(c1O[13CH3])C 7a_100011934651_200025704644 [1,1,0,0,0,0|1,0,0]=3 4627 B10R1.245 Cc1ccnc(c1O[13CH3])Cl 34a_100000696282_200025704644 [1,1,0,0,0,0|1,0,0]=3 4628 B10R1.245 Cc1ccnc(c1O[13CH3])Cl 7a_100000696282_200025704644 [1,1,0,0,0,0|1,0,0]=3 4629 B10R1.245 Cc1ccnc(c1S[13CH3])C 62a_100012000501_200025704644 [1,1,0,0,0,0|1,1,0]=4 4630 B10R1.245 Cc1ccnc(c1S[13CH3])C 62a_200025704644_100012000501 [1,1,0,0,0,0|1,1,0]=4 4631 B10R1.245 Cc1ccnc(c1S[13CH3])Cl 62a_100010248874_200025704644 [1,1,0,0,0,0|1,1,0]=4 4632 B10R1.245 Cc1ccnc(c1S[13CH3])Cl 62a_200025704644_100010248874 [1,1,0,0,0,0|1,1,0]=4 4633 B10R1.245 Cc1ccnc(c1S[13CH3])F 62a_100009818256_200025704644 [1,1,0,0,0,0|1,1,0]=4 4634 B10R1.245 Cc1ccnc(c1S[13CH3])F 62a_200025704644_100009818256 [1,1,0,0,0,0|1,1,0]=4 4635 B10R1.245 Cc1ccnc(c1S[13CH3])N 62a_100011998619_200025704644 [1,1,0,0,0,0|1,1,0]=4 4636 B10R1.245 Cc1ccnc(c1S[13CH3])N 62a_200025704644_100011998619 [1,1,0,0,0,0|1,1,0]=4 4637 B10R1.245 Cc1ccnc(c1S[13CH3])O 62a_100012000493_200025704644 [1,1,0,0,0,0|1,1,0]=4 4638 B10R1.245 Cc1ccnc(c1S[13CH3])O 62a_200025704644_100012000493 [1,1,0,0,0,0|1,1,0]=4 4639 B10R1.245 Cc1cncc(c1S[13CH3])C 62a_100009817138_200025704644 [1,1,0,0,0,0|1,1,0]=4 4640 B10R1.245 Cc1cncc(c1S[13CH3])C 62a_200025704644_100009817138 [1,1,0,0,0,0|1,1,0]=4 4641 B10R1.245 Cc1nccc(c1S[13CH3])N 62a_100010243816_200025704644 [1,1,0,0,0,0|1,1,0]=4 4642 B10R1.245 Cc1nccc(c1S[13CH3])N 62a_200025704644_100010243816 [1,1,0,0,0,0|1,1,0]=4 4643 B10R1.245 Cc1ncnc(c1O[13CH3])C 34a_100009878406_200025704644 [1,1,0,0,0,0|2,0,0]=4 4644 B10R1.245 Cc1ncnc(c1O[13CH3])C 7a_100009878406_200025704644 [1,1,0,0,0,0|2,0,0]=4 4645 B10R1.245 Cc1occc(=O)c1O[13CH3] 34a_100000031901_200025704644 [1,1,0,0,0,0|1,0,0]=3 4646 B10R1.245 N#Cc1c(cccc1Br)O 271570a_203496583355_100010071968 [1,1,0,0,0,0|2,0,0]=4 4647 B10R1.245 N#Cc1c(cccc1Cl)O 271570a_203496583355_200000049503 [1,1,0,0,0,0|2,0,0]=4 4648 B10R1.245 N#Cc1c(cccc1F)O 271570a_203496583355_100000699744 [1,1,0,0,0,0|2,0,0]=4 4649 B10R1.245 N#Cc1c(cccc1O)N 271570a_203496583355_100011935054 [1,1,0,0,0,0|2,0,0]=4 4650 B10R1.245 N#Cc1c(cccc1O)O 271570a_203496583355_100012180507 [1,1,0,0,0,0|2,0,0]=4 4651 B10R1.245 NCc1c(cccc1F)O 271570a_203496583355_100012349121 [1,1,0,0,0,0|2,0,0]=4 4652 B10R1.245 NNc1c(cccc1F)O 271570a_203496583355_100016994982 [1,1,0,0,0,0|2,0,0]=4 4653 B10R1.245 Nc1cccc(c1C=O)O 271570a_203496583355_100010232536 [1,1,0,0,0,0|2,0,0]=4 4654 B10R1.245 Nc1cccc(c1CO)O 271570a_203496583355_100000747656 [1,1,0,0,0,0|2,0,0]=4 4655 B10R1.245 O=Cc1c(cccc1Cl)O 271570a_203496583355_100010147682 [1,1,0,0,0,0|2,0,0]=4 4656 B10R1.245 O=Cc1c(cccc1F)O 271570a_203496583355_100000210083 [1,1,0,0,0,0|2,0,0]=4 4657 B10R1.245 O=Cc1c(cccc1O)O 271570a_203496583355_100009814793 [1,1,0,0,0,0|2,0,0]=4 4658 B10R1.245 OCc1c(cccc1F)O 271570a_203496583355_100012355691 [1,1,0,0,0,0|2,0,0]=4 4659 B10R1.245 [13CH3]Nc1c(cccc1Br)Br 34a_100000690995_200025704644 [1,1,0,0,0,0|2,0,0]=4 4660 B10R1.245 [13CH3]Nc1c(cccc1Br)Cl 34a_100102946385_200025704644 [1,1,0,0,0,0|2,0,0]=4 4661 B10R1.245 [13CH3]Nc1c(cccc1Br)F 34a_100000684712_200025704644 [1,1,0,0,0,0|2,0,0]=4 4662 B10R1.245 [13CH3]Nc1c(cccc1Br)O 34a_100011934926_200025704644 [1,1,0,0,0,0|1,0,0]=3 4663 B10R1.245 [13CH3]Nc1c(cccc1Cl)Cl 34a_100000210028_200025704644 [1,1,0,0,0,0|2,0,0]=4 4664 B10R1.245 [13CH3]Nc1c(cccc1Cl)F 34a_100000760031_200025704644 [1,1,0,0,0,0|2,0,0]=4 4665 B10R1.245 [13CH3]Nc1c(cccc1Cl)O 34a_100012022510_200025704644 [1,1,0,0,0,0|1,0,0]=3 4666 B10R1.245 [13CH3]Nc1c(cccc1F)F 2230a_100000210704_200025704644 [1,1,0,0,0,0|2,0,0]=4 4667 B10R1.245 [13CH3]Nc1c(cccc1F)F 34a_100000210704_200025704644 [1,1,0,0,0,0|2,0,0]=4 4668 B10R1.245 [13CH3]Nc1c(cccc1F)O 34a_100020591140_200025704644 [1,1,0,0,0,0|1,0,0]=3 4669 B10R1.245 [13CH3]Nc1c(cccc1I)F 34a_100000042321_200025704644 [1,1,0,0,0,0|2,0,0]=4 4670 B10R1.245 [13CH3]Oc1c(cccc1Br)Br 34a_100000736428_200025704644 [1,1,0,0,0,0|1,0,0]=3 4671 B10R1.245 [13CH3]Oc1c(cccc1Br)Br 7a_100000736428_200025704644 [1,1,0,0,0,0|1,0,0]=3 4672 B10R1.245 [13CH3]Oc1c(cccc1Br)Cl 34a_100010214474_200025704644 [1,1,0,0,0,0|1,0,0]=3 4673 B10R1.245 [13CH3]Oc1c(cccc1Br)Cl 7a_100010214474_200025704644 [1,1,0,0,0,0|1,0,0]=3 4674 B10R1.245 [13CH3]Oc1c(cccc1Br)F 34a_100009813666_200025704644 [1,1,0,0,0,0|1,0,0]=3 4675 B10R1.245 [13CH3]Oc1c(cccc1Br)F 7a_100009813666_200025704644 [1,1,0,0,0,0|1,0,0]=3 4676 B10R1.245 [13CH3]Oc1c(cccc1Br)N 34a_100011934915_200025704644 [1,1,0,0,0,0|1,0,0]=3 4677 B10R1.245 [13CH3]Oc1c(cccc1Cl)Cl 34a_100000211709_200025704644 [1,1,0,0,0,0|1,0,0]=3 4678 B10R1.245 [13CH3]Oc1c(cccc1Cl)Cl 7a_100000211709_200025704644 [1,1,0,0,0,0|1,0,0]=3 4679 B10R1.245 [13CH3]Oc1c(cccc1Cl)F 34a_100000694953_200025704644 [1,1,0,0,0,0|1,0,0]=3 4680 B10R1.245 [13CH3]Oc1c(cccc1Cl)F 7a_100000694953_200025704644 [1,1,0,0,0,0|1,0,0]=3 4681 B10R1.245 [13CH3]Oc1c(cccc1Cl)N 34a_100000754742_200025704644 [1,1,0,0,0,0|1,0,0]=3 4682 B10R1.245 [13CH3]Oc1c(cccc1F)F 34a_100000230165_200025704644 [1,1,0,0,0,0|1,0,0]=3 4683 B10R1.245 [13CH3]Oc1c(cccc1F)F 7a_100000230165_200025704644 [1,1,0,0,0,0|1,0,0]=3 4684 B10R1.245 [13CH3]Oc1c(cccc1F)N 34a_100011934987_200025704644 [1,1,0,0,0,0|1,0,0]=3 4685 B10R1.245 [13CH3]Oc1c(cccc1I)Br 34a_100010084509_200025704644 [1,1,0,0,0,0|1,0,0]=3 4686 B10R1.245 [13CH3]Oc1c(cccc1I)Br 7a_100010084509_200025704644 [1,1,0,0,0,0|1,0,0]=3 4687 B10R1.245 [13CH3]Oc1c(cccc1I)Cl 34a_100010202889_200025704644 [1,1,0,0,0,0|1,0,0]=3 4688 B10R1.245 [13CH3]Oc1c(cccc1I)Cl 7a_100010202889_200025704644 [1,1,0,0,0,0|1,0,0]=3 4689 B10R1.245 [13CH3]Oc1c(cccc1I)F 34a_100010186298_200025704644 [1,1,0,0,0,0|1,0,0]=3 4690 B10R1.245 [13CH3]Oc1c(cccc1I)F 7a_100010186298_200025704644 [1,1,0,0,0,0|1,0,0]=3 4691 B10R1.245 [13CH3]Oc1c(cccc1I)N 34a_100010084371_200025704644 [1,1,0,0,0,0|1,0,0]=3 4692 B10R1.245 [13CH3]Oc1c(cccc1N)N 34a_200016994477_200025704644 [1,1,0,0,0,0|1,0,0]=3 4693 B10R1.245 [13CH3]Oc1c(ccnc1Cl)Cl 34a_100000118450_200025704644 [1,1,0,0,0,0|2,0,0]=4 4694 B10R1.245 [13CH3]Oc1c(ccnc1Cl)Cl 7a_100000118450_200025704644 [1,1,0,0,0,0|2,0,0]=4 4695 B10R1.245 [13CH3]Oc1c(ccnc1Cl)F 34a_100009867227_200025704644 [1,1,0,0,0,0|2,0,0]=4 4696 B10R1.245 [13CH3]Oc1c(ccnc1Cl)F 7a_100009867227_200025704644 [1,1,0,0,0,0|2,0,0]=4 4697 B10R1.245 [13CH3]Oc1c(ccnc1Cl)I 34a_100010067911_200025704644 [1,1,0,0,0,0|2,0,0]=4 4698 B10R1.245 [13CH3]Oc1c(ccnc1Cl)I 7a_100010067911_200025704644 [1,1,0,0,0,0|2,0,0]=4 4699 B10R1.245 [13CH3]Oc1c(ccnc1Cl)N 34a_100009844647_200025704644 [1,1,0,0,0,0|2,0,0]=4 4700 B10R1.245 [13CH3]Oc1c(ccnc1Cl)N 7a_100009844647_200025704644 [1,1,0,0,0,0|2,0,0]=4 4701 B10R1.245 [13CH3]Sc1c(cccc1Br)Br 62a_100009994525_200025704644 [1,1,0,0,0,0|1,1,0]=4 4702 B10R1.245 [13CH3]Sc1c(cccc1Br)Br 62a_200025704644_100009994525 [1,1,0,0,0,0|1,1,0]=4 4703 B10R1.245 [13CH3]Sc1c(cccc1Br)Cl 62a_100010214488_200025704644 [1,1,0,0,0,0|1,1,0]=4 4704 B10R1.245 [13CH3]Sc1c(cccc1Br)Cl 62a_200025704644_100010214488 [1,1,0,0,0,0|1,1,0]=4 4705 B10R1.245 [13CH3]Sc1c(cccc1Br)F 62a_100011219512_200025704644 [1,1,0,0,0,0|1,1,0]=4 4706 B10R1.245 [13CH3]Sc1c(cccc1Br)F 62a_200025704644_100011219512 [1,1,0,0,0,0|1,1,0]=4 4707 B10R1.245 [13CH3]Sc1c(cccc1Br)N 62a_100020590159_200025704644 [1,1,0,0,0,0|1,1,0]=4 4708 B10R1.245 [13CH3]Sc1c(cccc1Br)N 62a_200025704644_100020590159 [1,1,0,0,0,0|1,1,0]=4 4709 B10R1.245 [13CH3]Sc1c(cccc1Br)O 62a_100010187912_200025704644 [1,1,0,0,0,0|0,1,0]=3 4710 B10R1.245 [13CH3]Sc1c(cccc1Br)O 62a_200025704644_100010187912 [1,1,0,0,0,0|0,1,0]=3 4711 B10R1.245 [13CH3]Sc1c(cccc1Cl)Cl 62a_100000034237_200025704644 [1,1,0,0,0,0|1,1,0]=4 4712 B10R1.245 [13CH3]Sc1c(cccc1Cl)Cl 62a_200025704644_100000034237 [1,1,0,0,0,0|1,1,0]=4 4713 B10R1.245 [13CH3]Sc1c(cccc1Cl)F 62a_100000050007_200025704644 [1,1,0,0,0,0|1,1,0]=4 4714 B10R1.245 [13CH3]Sc1c(cccc1Cl)F 62a_200025704644_100000050007 [1,1,0,0,0,0|1,1,0]=4 4715 B10R1.245 [13CH3]Sc1c(cccc1Cl)N 62a_100000049713_200025704644 [1,1,0,0,0,0|1,1,0]=4 4716 B10R1.245 [13CH3]Sc1c(cccc1Cl)N 62a_200025704644_100000049713 [1,1,0,0,0,0|1,1,0]=4 4717 B10R1.245 [13CH3]Sc1c(cccc1Cl)O 62a_200025704644_100000050174 [1,1,0,0,0,0|0,1,0]=3 4718 B10R1.245 [13CH3]Sc1c(cccc1F)F 62a_100000693133_200025704644 [1,1,0,0,0,0|1,1,0]=4 4719 B10R1.245 [13CH3]Sc1c(cccc1F)F 62a_200025704644_100000693133 [1,1,0,0,0,0|1,1,0]=4 4720 B10R1.245 [13CH3]Sc1c(cccc1F)N 62a_100000690935_200025704644 [1,1,0,0,0,0|1,1,0]=4 4721 B10R1.245 [13CH3]Sc1c(cccc1F)N 62a_200025704644_100000690935 [1,1,0,0,0,0|1,1,0]=4 4722 B10R1.245 [13CH3]Sc1c(cccc1F)O 62a_100009820682_200025704644 [1,1,0,0,0,0|0,1,0]=3 4723 B10R1.245 [13CH3]Sc1c(cccc1F)O 62a_200025704644_100009820682 [1,1,0,0,0,0|0,1,0]=3 4724 B10R1.245 [13CH3]Sc1c(cccc1O)N 62a_100012183704_200025704644 [1,1,0,0,0,0|0,1,0]=3 4725 B10R1.245 [13CH3]Sc1c(cccc1O)N 62a_200025704644_100012183704 [1,1,0,0,0,0|0,1,0]=3 4726 B10R1.245 [13CH3]Sc1c(cccc1O)O 62a_200025704644_100010205330 [1,1,0,0,0,0|0,1,0]=3 4727 B10R1.245 [13CH3]Sc1c(ccnc1O)O 62a_200025704644_200009817435 [1,1,0,0,0,0|1,1,0]=4 4728 B10R1.5 CNCc1occc1OC 207a_100102657272_200009856553 [0,1,0,0,1,0|2,0,0]=4 4729 B10R1.5 CNCc1occc1OC 270004a_106832991635_200009856553 [0,1,0,0,1,0|2,0,0]=4 4730 B10R1.5 CNCc1sccc1OC 207a_100102657272_100000689126 [0,1,0,0,1,0|2,0,0]=4 4731 B10R1.5 CNCc1sccc1OC 270004a_106832991635_100000689126 [0,1,0,0,1,0|2,0,0]=4 4732 B12R1.46 C=C(C)c1cc(=O)[nH]cc1OC 271570a_100000694244_100121573661 [0,2,0,0,0,0|2,0,0]=4 4733 B12R1.46 C=C(C)c1cc(ccc1NC)C 271570a_100000694244_100000221369 [0,2,0,0,0,0|2,0,0]=4 4734 B12R1.46 C=C(C)c1cc(ccc1NC)F 271570a_100000694244_100011246292 [0,2,0,0,0,0|2,0,0]=4 4735 B12R1.46 C=C(C)c1cc(ccc1NC)F 34a_100009961556_200000210301 [0,2,0,0,0,0|2,0,0]=4 4736 B12R1.46 C=C(C)c1cc(ccc1N[13CH3])F 34a_100009961556_200025704644 [0,2,0,0,0,0|2,0,0]=4 4737 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [0,2,0,0,0,0|1,0,0]=3 4738 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [0,2,0,0,0,0|1,0,0]=3 4739 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [0,2,0,0,0,0|1,0,0]=3 4740 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [0,2,0,0,0,0|1,0,0]=3 4741 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [0,2,0,0,0,0|1,0,0]=3 4742 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [0,2,0,0,0,0|1,0,0]=3 4743 B12R1.46 C=C(C)c1cc(ccc1SC)C 271570a_100000694244_200010201864 [0,2,0,0,0,0|1,1,0]=4 4744 B12R1.46 C=C(C)c1cc(ccc1SC)F 271570a_100000694244_100009817003 [0,2,0,0,0,0|1,1,0]=4 4745 B12R1.46 C=C(C)c1cc(cnc1OC)Br 271570a_100000694244_100009814608 [0,2,0,0,0,0|2,0,0]=4 4746 B12R1.46 C=C(C)c1cc(cnc1OC)C 271570a_100000694244_100012353929 [0,2,0,0,0,0|2,0,0]=4 4747 B12R1.46 C=C(C)c1cc(cnc1OC)F 271570a_100000694244_100009828472 [0,2,0,0,0,0|2,0,0]=4 4748 B12R1.46 C=C(C)c1cc(cnc1OC)N 271570a_100000694244_100012351452 [0,2,0,0,0,0|2,0,0]=4 4749 B12R1.46 C=C(C)c1cc(ncc1OC)C 271570a_100000694244_100010109759 [0,2,0,0,0,0|2,0,0]=4 4750 B12R1.46 C=C(C)c1nc(ccc1OC)C 271570a_100000694244_100009820875 [0,2,0,0,0,0|2,0,0]=4 4751 B12R1.46 C=C(C)c1nc(ccc1OC)N 271570a_100000694244_100010172607 [0,2,0,0,0,0|2,0,0]=4 4752 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,2,0,0,0,0|1,0,0]=3 4753 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,2,0,0,0,0|1,0,0]=3 4754 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,2,0,0,0,0|1,0,0]=3 4755 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,2,0,0,0,0|1,0,0]=3 4756 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,2,0,0,0,0|1,0,0]=3 4757 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,2,0,0,0,0|1,0,0]=3 4758 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,2,0,0,0,0|1,0,0]=3 4759 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,2,0,0,0,0|1,0,0]=3 4760 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,2,0,0,0,0|1,0,0]=3 4761 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [0,2,0,0,0,0|1,1,0]=4 4762 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,2,0,0,0,0|1,1,0]=4 4763 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,2,0,0,0,0|1,1,0]=4 4764 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [0,2,0,0,0,0|1,1,0]=4 4765 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [0,2,0,0,0,0|1,1,0]=4 4766 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [0,2,0,0,0,0|1,1,0]=4 4767 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 2230a_100000694223_200025704644 [0,2,0,0,0,0|2,0,0]=4 4768 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 34a_100000694223_200025704644 [0,2,0,0,0,0|2,0,0]=4 4769 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 7a_100000694223_200025704644 [0,2,0,0,0,0|2,0,0]=4 4770 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 2230a_100011941472_200025704644 [0,2,0,0,0,0|2,0,0]=4 4771 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 34a_100011941472_200025704644 [0,2,0,0,0,0|2,0,0]=4 4772 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 7a_100011941472_200025704644 [0,2,0,0,0,0|2,0,0]=4 4773 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [0,2,0,0,0,0|1,0,0]=3 4774 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [0,2,0,0,0,0|1,0,0]=3 4775 B12R1.46 CC(C)c1cc(ccc1S[13CH3])Br 62a_100010244561_200025704644 [0,2,0,0,0,0|1,1,0]=4 4776 B12R1.46 CC(C)c1cc(ccc1S[13CH3])Br 62a_200025704644_100010244561 [0,2,0,0,0,0|1,1,0]=4 4777 B12R1.46 CC(N)c1cc(ccc1S[13CH3])F 62a_100012343209_200025704644 [0,2,0,0,0,0|1,1,0]=4 4778 B12R1.46 CC(N)c1cc(ccc1S[13CH3])F 62a_200025704644_100012343209 [0,2,0,0,0,0|1,1,0]=4 4779 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [0,2,0,0,0,0|1,0,0]=3 4780 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [0,2,0,0,0,0|1,0,0]=3 4781 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [0,2,0,0,0,0|2,0,0]=4 4782 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [0,2,0,0,0,0|2,0,0]=4 4783 B12R1.46 CN(C)c1cc(ccc1S[13CH3])O 62a_200025704644_200010083878 [0,2,0,0,0,0|1,1,0]=4 4784 B12R1.46 CNc1ccc(cc1C(C)C)Br 2230a_100000694223_200000210301 [0,2,0,0,0,0|2,0,0]=4 4785 B12R1.46 CNc1ccc(cc1C(C)C)Br 34a_100000694223_200000210301 [0,2,0,0,0,0|2,0,0]=4 4786 B12R1.46 CNc1ccc(cc1C(C)C)Br 7a_100000694223_200000210301 [0,2,0,0,0,0|2,0,0]=4 4787 B12R1.46 CNc1ccc(cc1C(C)C)F 2230a_100011941472_200000210301 [0,2,0,0,0,0|2,0,0]=4 4788 B12R1.46 CNc1ccc(cc1C(C)C)F 34a_100011941472_200000210301 [0,2,0,0,0,0|2,0,0]=4 4789 B12R1.46 CNc1ccc(cc1C(C)C)F 7a_100011941472_200000210301 [0,2,0,0,0,0|2,0,0]=4 4790 B12R1.46 COc1ccc(cc1B(O)O)O 271570a_203496583355_100009813459 [0,2,0,0,0,0|2,0,0]=4 4791 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,2,0,0,0,0|1,0,0]=3 4792 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,2,0,0,0,0|1,0,0]=3 4793 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,2,0,0,0,0|1,0,0]=3 4794 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,2,0,0,0,0|1,0,0]=3 4795 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,2,0,0,0,0|1,0,0]=3 4796 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,2,0,0,0,0|1,0,0]=3 4797 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,2,0,0,0,0|1,0,0]=3 4798 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,2,0,0,0,0|1,0,0]=3 4799 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,2,0,0,0,0|1,0,0]=3 4800 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,2,0,0,0,0|1,0,0]=3 4801 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,2,0,0,0,0|1,0,0]=3 4802 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,2,0,0,0,0|1,0,0]=3 4803 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,2,0,0,0,0|1,0,0]=3 4804 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,2,0,0,0,0|1,0,0]=3 4805 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,2,0,0,0,0|1,0,0]=3 4806 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,2,0,0,0,0|1,0,0]=3 4807 B12R1.46 COc1ccc(cc1C(=O)N)Br 34a_100000192807_200000210301 [0,2,0,0,0,0|2,0,0]=4 4808 B12R1.46 COc1ccc(cc1C(=O)N)Br 7a_100000192807_200000210301 [0,2,0,0,0,0|2,0,0]=4 4809 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [0,2,0,0,0,0|2,0,0]=4 4810 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [0,2,0,0,0,0|2,0,0]=4 4811 B12R1.46 COc1ccc(cc1C(=O)N)Cl 34a_100000185026_200000210301 [0,2,0,0,0,0|2,0,0]=4 4812 B12R1.46 COc1ccc(cc1C(=O)N)Cl 7a_100000185026_200000210301 [0,2,0,0,0,0|2,0,0]=4 4813 B12R1.46 COc1ccc(cc1C(=O)N)F 34a_100012186459_200000210301 [0,2,0,0,0,0|2,0,0]=4 4814 B12R1.46 COc1ccc(cc1C(=O)N)F 7a_100012186459_200000210301 [0,2,0,0,0,0|2,0,0]=4 4815 B12R1.46 COc1ccc(cc1C(=O)N)I 34a_100000192813_200000210301 [0,2,0,0,0,0|2,0,0]=4 4816 B12R1.46 COc1ccc(cc1C(=O)N)I 7a_100000192813_200000210301 [0,2,0,0,0,0|2,0,0]=4 4817 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,2,0,0,0,0|1,0,0]=3 4818 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,2,0,0,0,0|1,0,0]=3 4819 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,2,0,0,0,0|1,0,0]=3 4820 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,2,0,0,0,0|1,0,0]=3 4821 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,2,0,0,0,0|1,0,0]=3 4822 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,2,0,0,0,0|1,0,0]=3 4823 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [0,2,0,0,0,0|1,0,0]=3 4824 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [0,2,0,0,0,0|1,0,0]=3 4825 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [0,2,0,0,0,0|1,0,0]=3 4826 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [0,2,0,0,0,0|1,0,0]=3 4827 B12R1.46 COc1ccc(cc1C(F)F)O 271570a_203496583355_100010146105 [0,2,0,0,0,0|2,0,0]=4 4828 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_200000210301 [0,2,0,0,0,0|1,0,0]=3 4829 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_200000210301 [0,2,0,0,0,0|1,0,0]=3 4830 B12R1.46 COc1ccc(cc1[C@H](C)N)F 34a_100160469477_200000210301 [0,2,0,0,0,0|1,0,0]=3 4831 B12R1.46 COc1ccc(cc1[C@H](C)N)F 7a_100160469477_200000210301 [0,2,0,0,0,0|1,0,0]=3 4832 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200000210301 [0,2,0,0,0,0|2,0,0]=4 4833 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200000210301 [0,2,0,0,0,0|2,0,0]=4 4834 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_200000210301 [0,2,0,0,0,0|2,0,0]=4 4835 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_200000210301 [0,2,0,0,0,0|2,0,0]=4 4836 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200000210301 [0,2,0,0,0,0|2,0,0]=4 4837 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200000210301 [0,2,0,0,0,0|2,0,0]=4 4838 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200000210301 [0,2,0,0,0,0|2,0,0]=4 4839 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200000210301 [0,2,0,0,0,0|2,0,0]=4 4840 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200000210301 [0,2,0,0,0,0|2,0,0]=4 4841 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200000210301 [0,2,0,0,0,0|2,0,0]=4 4842 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200000210301 [0,2,0,0,0,0|2,0,0]=4 4843 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,2,0,0,0,0|2,0,0]=4 4844 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [0,2,0,0,0,0|1,1,0]=4 4845 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,2,0,0,0,0|1,1,0]=4 4846 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,2,0,0,0,0|1,1,0]=4 4847 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [0,2,0,0,0,0|1,1,0]=4 4848 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [0,2,0,0,0,0|1,1,0]=4 4849 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [0,2,0,0,0,0|1,1,0]=4 4850 B12R1.46 CSc1ccc(cc1C(C)C)Br 62a_100010244561_200000210301 [0,2,0,0,0,0|1,1,0]=4 4851 B12R1.46 CSc1ccc(cc1C(C)C)Br 62a_200000210301_100010244561 [0,2,0,0,0,0|1,1,0]=4 4852 B12R1.46 CSc1ccc(cc1C(C)N)F 62a_100012343209_200000210301 [0,2,0,0,0,0|1,1,0]=4 4853 B12R1.46 CSc1ccc(cc1C(C)N)F 62a_200000210301_100012343209 [0,2,0,0,0,0|1,1,0]=4 4854 B12R1.46 CSc1ccc(cc1N(C)C)O 62a_200000210301_200010083878 [0,2,0,0,0,0|1,1,0]=4 4855 B12R1.46 CSc1ccc(cc1[C@H](C)O)F 62a_100134768474_200000210301 [0,2,0,0,0,0|1,1,0]=4 4856 B12R1.46 CSc1ccc(cc1[C@H](C)O)F 62a_200000210301_100134768474 [0,2,0,0,0,0|1,1,0]=4 4857 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 34a_100011853016_200025704644 [0,2,0,0,0,0|1,0,0]=3 4858 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 7a_100011853016_200025704644 [0,2,0,0,0,0|1,0,0]=3 4859 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 34a_100160469477_200025704644 [0,2,0,0,0,0|1,0,0]=3 4860 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 7a_100160469477_200025704644 [0,2,0,0,0,0|1,0,0]=3 4861 B12R1.46 C[C@H](O)c1cc(ccc1S[13CH3])F 62a_100134768474_200025704644 [0,2,0,0,0,0|1,1,0]=4 4862 B12R1.46 C[C@H](O)c1cc(ccc1S[13CH3])F 62a_200025704644_100134768474 [0,2,0,0,0,0|1,1,0]=4 4863 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [0,2,0,0,0,0|2,0,0]=4 4864 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [0,2,0,0,0,0|2,0,0]=4 4865 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000195567_200025704644 [0,2,0,0,0,0|2,0,0]=4 4866 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000195567_200025704644 [0,2,0,0,0,0|2,0,0]=4 4867 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200025704644 [0,2,0,0,0,0|2,0,0]=4 4868 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200025704644 [0,2,0,0,0,0|2,0,0]=4 4869 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200025704644 [0,2,0,0,0,0|2,0,0]=4 4870 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200025704644 [0,2,0,0,0,0|2,0,0]=4 4871 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 34a_100012186459_200025704644 [0,2,0,0,0,0|2,0,0]=4 4872 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 7a_100012186459_200025704644 [0,2,0,0,0,0|2,0,0]=4 4873 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 34a_100000192813_200025704644 [0,2,0,0,0,0|2,0,0]=4 4874 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 7a_100000192813_200025704644 [0,2,0,0,0,0|2,0,0]=4 4875 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200025704644 [0,2,0,0,0,0|2,0,0]=4 4876 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200025704644 [0,2,0,0,0,0|2,0,0]=4 4877 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200025704644 [0,2,0,0,0,0|2,0,0]=4 4878 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200025704644 [0,2,0,0,0,0|2,0,0]=4 4879 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200025704644 [0,2,0,0,0,0|2,0,0]=4 4880 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200025704644 [0,2,0,0,0,0|2,0,0]=4 4881 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200025704644 [0,2,0,0,0,0|2,0,0]=4 4882 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200025704644 [0,2,0,0,0,0|2,0,0]=4 4883 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200025704644 [0,2,0,0,0,0|2,0,0]=4 4884 B12R1.57 C=C(C)c1ccc(cc1CC)Br 271570a_100000694244_100011216195 [0,2,0,0,0,0|2,0,0]=4 4885 B12R1.57 C=C(C)c1ccc(cc1CC)N 271570a_100000694244_100010109747 [0,2,0,0,0,0|2,0,0]=4 4886 B12R1.57 C=C(C)c1ccc(cc1NC)F 271570a_100000694244_100020633008 [0,2,0,0,0,0|2,0,0]=4 4887 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [0,2,0,0,0,0|1,0,0]=3 4888 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [0,2,0,0,0,0|1,0,0]=3 4889 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [0,2,0,0,0,0|1,0,0]=3 4890 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [0,2,0,0,0,0|1,0,0]=3 4891 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [0,2,0,0,0,0|1,0,0]=3 4892 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [0,2,0,0,0,0|1,0,0]=3 4893 B12R1.57 C=C(C)c1ccc(cc1SC)C 271570a_100000694244_200010709736 [0,2,0,0,0,0|1,1,0]=4 4894 B12R1.57 C=C(C)c1ccc(nc1OC)C 271570a_100000694244_100010138632 [0,2,0,0,0,0|2,0,0]=4 4895 B12R1.57 C=C(C)c1ccc(nc1OC)N 271570a_100000694244_100010187630 [0,2,0,0,0,0|2,0,0]=4 4896 B12R1.57 C=C(C)c1cnc(cc1OC)C 271570a_100000694244_100000717771 [0,2,0,0,0,0|2,0,0]=4 4897 B12R1.57 C=C(C)c1cnc(cc1OC)Cl 271570a_100000694244_100010154656 [0,2,0,0,0,0|2,0,0]=4 4898 B12R1.57 C=C(C)c1cnc(cc1OC)F 271570a_100000694244_100010135560 [0,2,0,0,0,0|2,0,0]=4 4899 B12R1.57 C=C(C)c1cnc(cc1OC)N 271570a_100000694244_100015506990 [0,2,0,0,0,0|2,0,0]=4 4900 B12R1.57 C=C(C)c1ncc(cc1OC)C 271570a_100000694244_200000118316 [0,2,0,0,0,0|2,0,0]=4 4901 B12R1.57 C=C(C)c1ncc(cc1OC)F 271570a_100000694244_100009867738 [0,2,0,0,0,0|2,0,0]=4 4902 B12R1.57 C=C(C)c1ncc(cc1OC)N 271570a_100000694244_100000097218 [0,2,0,0,0,0|2,0,0]=4 4903 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,2,0,0,0,0|1,0,0]=3 4904 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,2,0,0,0,0|1,0,0]=3 4905 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,2,0,0,0,0|1,0,0]=3 4906 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,2,0,0,0,0|1,0,0]=3 4907 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,2,0,0,0,0|1,0,0]=3 4908 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,2,0,0,0,0|1,0,0]=3 4909 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,2,0,0,0,0|1,1,0]=4 4910 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,2,0,0,0,0|1,1,0]=4 4911 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [0,2,0,0,0,0|1,1,0]=4 4912 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,2,0,0,0,0|1,1,0]=4 4913 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 2230a_100012283353_200025704644 [0,2,0,0,0,0|2,0,0]=4 4914 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 34a_100012283353_200025704644 [0,2,0,0,0,0|2,0,0]=4 4915 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 7a_100012283353_200025704644 [0,2,0,0,0,0|2,0,0]=4 4916 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [0,2,0,0,0,0|2,0,0]=4 4917 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [0,2,0,0,0,0|2,0,0]=4 4918 B12R1.57 CN(C)c1ccc(cc1S[13CH3])F 62a_100012349029_200025704644 [0,2,0,0,0,0|1,1,0]=4 4919 B12R1.57 CN(C)c1ccc(cc1S[13CH3])F 62a_200025704644_100012349029 [0,2,0,0,0,0|1,1,0]=4 4920 B12R1.57 CN(C)c1ccc(cc1S[13CH3])N 62a_100011534197_200025704644 [0,2,0,0,0,0|1,1,0]=4 4921 B12R1.57 CN(C)c1ccc(cc1S[13CH3])N 62a_200025704644_100011534197 [0,2,0,0,0,0|1,1,0]=4 4922 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [0,2,0,0,0,0|2,0,0]=4 4923 B12R1.57 CNc1cc(ccc1C(C)C)F 2230a_100012283353_200000210301 [0,2,0,0,0,0|2,0,0]=4 4924 B12R1.57 CNc1cc(ccc1C(C)C)F 34a_100012283353_200000210301 [0,2,0,0,0,0|2,0,0]=4 4925 B12R1.57 CNc1cc(ccc1C(C)C)F 7a_100012283353_200000210301 [0,2,0,0,0,0|2,0,0]=4 4926 B12R1.57 COc1cc(ccc1B(O)O)O 271570a_203496583355_100010245881 [0,2,0,0,0,0|2,0,0]=4 4927 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,2,0,0,0,0|1,0,0]=3 4928 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,2,0,0,0,0|1,0,0]=3 4929 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,2,0,0,0,0|1,0,0]=3 4930 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,2,0,0,0,0|1,0,0]=3 4931 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,2,0,0,0,0|1,0,0]=3 4932 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,2,0,0,0,0|1,0,0]=3 4933 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,2,0,0,0,0|1,0,0]=3 4934 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,2,0,0,0,0|1,0,0]=3 4935 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,2,0,0,0,0|1,0,0]=3 4936 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,2,0,0,0,0|1,0,0]=3 4937 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,2,0,0,0,0|1,0,0]=3 4938 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,2,0,0,0,0|1,0,0]=3 4939 B12R1.57 COc1cc(ccc1C(=O)N)Br 34a_100011550861_200000210301 [0,2,0,0,0,0|2,0,0]=4 4940 B12R1.57 COc1cc(ccc1C(=O)N)Br 7a_100011550861_200000210301 [0,2,0,0,0,0|2,0,0]=4 4941 B12R1.57 COc1cc(ccc1C(=O)N)C 34a_100000192831_200000210301 [0,2,0,0,0,0|2,0,0]=4 4942 B12R1.57 COc1cc(ccc1C(=O)N)C 7a_100000192831_200000210301 [0,2,0,0,0,0|2,0,0]=4 4943 B12R1.57 COc1cc(ccc1C(=O)N)Cl 34a_100000192836_200000210301 [0,2,0,0,0,0|2,0,0]=4 4944 B12R1.57 COc1cc(ccc1C(=O)N)Cl 7a_100000192836_200000210301 [0,2,0,0,0,0|2,0,0]=4 4945 B12R1.57 COc1cc(ccc1C(=O)N)N 34a_100000223280_200000210301 [0,2,0,0,0,0|2,0,0]=4 4946 B12R1.57 COc1cc(ccc1C(=O)N)N 7a_100000223280_200000210301 [0,2,0,0,0,0|2,0,0]=4 4947 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [0,2,0,0,0,0|2,0,0]=4 4948 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,2,0,0,0,0|1,0,0]=3 4949 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,2,0,0,0,0|1,0,0]=3 4950 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,2,0,0,0,0|1,0,0]=3 4951 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,2,0,0,0,0|1,0,0]=3 4952 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,2,0,0,0,0|1,0,0]=3 4953 B12R1.57 COc1cc(ccc1C(C)C)C 34a_100000185798_200000210301 [0,2,0,0,0,0|1,0,0]=3 4954 B12R1.57 COc1cc(ccc1C(C)C)C 7a_100000185798_200000210301 [0,2,0,0,0,0|1,0,0]=3 4955 B12R1.57 COc1cc(ccc1C(F)F)O 271570a_203496583355_100010146106 [0,2,0,0,0,0|2,0,0]=4 4956 B12R1.57 COc1cc(ccc1N(C)C)Cl 2230a_100000061351_200000210301 [0,2,0,0,0,0|1,0,0]=3 4957 B12R1.57 COc1cc(ccc1N(C)C)Cl 269982a_100000061351_200000210301 [0,2,0,0,0,0|1,0,0]=3 4958 B12R1.57 COc1cc(ccc1N(C)C)Cl 34a_100000061351_200000210301 [0,2,0,0,0,0|1,0,0]=3 4959 B12R1.57 COc1cc(ccc1N(C)C)F 2230a_100020633920_200000210301 [0,2,0,0,0,0|1,0,0]=3 4960 B12R1.57 COc1cc(ccc1N(C)C)F 269982a_100020633920_200000210301 [0,2,0,0,0,0|1,0,0]=3 4961 B12R1.57 COc1cc(ccc1N(C)C)F 34a_100020633920_200000210301 [0,2,0,0,0,0|1,0,0]=3 4962 B12R1.57 COc1cc(ccc1N(C)C)F 38a_100020633920_200000210301 [0,2,0,0,0,0|1,0,0]=3 4963 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 2230a_100000061351_200025704644 [0,2,0,0,0,0|1,0,0]=3 4964 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 269982a_100000061351_200025704644 [0,2,0,0,0,0|1,0,0]=3 4965 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 34a_100000061351_200025704644 [0,2,0,0,0,0|1,0,0]=3 4966 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 2230a_100020633920_200025704644 [0,2,0,0,0,0|1,0,0]=3 4967 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 269982a_100020633920_200025704644 [0,2,0,0,0,0|1,0,0]=3 4968 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 34a_100020633920_200025704644 [0,2,0,0,0,0|1,0,0]=3 4969 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 38a_100020633920_200025704644 [0,2,0,0,0,0|1,0,0]=3 4970 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200000210301 [0,2,0,0,0,0|2,0,0]=4 4971 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 34a_100000195450_200000210301 [0,2,0,0,0,0|2,0,0]=4 4972 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 7a_100000195450_200000210301 [0,2,0,0,0,0|2,0,0]=4 4973 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200000210301 [0,2,0,0,0,0|2,0,0]=4 4974 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200000210301 [0,2,0,0,0,0|2,0,0]=4 4975 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200000210301 [0,2,0,0,0,0|2,0,0]=4 4976 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200000210301 [0,2,0,0,0,0|2,0,0]=4 4977 B12R1.57 COc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200000210301 [0,2,0,0,0,0|2,0,0]=4 4978 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,2,0,0,0,0|2,0,0]=4 4979 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,2,0,0,0,0|1,1,0]=4 4980 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,2,0,0,0,0|1,1,0]=4 4981 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [0,2,0,0,0,0|1,1,0]=4 4982 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,2,0,0,0,0|1,1,0]=4 4983 B12R1.57 CSc1cc(ccc1N(C)C)C 62a_100012353700_200000210301 [0,2,0,0,0,0|1,1,0]=4 4984 B12R1.57 CSc1cc(ccc1N(C)C)C 62a_200000210301_100012353700 [0,2,0,0,0,0|1,1,0]=4 4985 B12R1.57 CSc1cc(ccc1N(C)C)F 62a_100012349029_200000210301 [0,2,0,0,0,0|1,1,0]=4 4986 B12R1.57 CSc1cc(ccc1N(C)C)F 62a_200000210301_100012349029 [0,2,0,0,0,0|1,1,0]=4 4987 B12R1.57 CSc1cc(ccc1N(C)C)N 62a_100011534197_200000210301 [0,2,0,0,0,0|1,1,0]=4 4988 B12R1.57 CSc1cc(ccc1N(C)C)N 62a_200000210301_100011534197 [0,2,0,0,0,0|1,1,0]=4 4989 B12R1.57 CSc1cc(ccc1[C@@H](C)N)F 62a_100025704064_200000210301 [0,2,0,0,0,0|1,1,0]=4 4990 B12R1.57 CSc1cc(ccc1[C@@H](C)N)F 62a_200000210301_100025704064 [0,2,0,0,0,0|1,1,0]=4 4991 B12R1.57 C[C@@H](N)c1ccc(cc1S[13CH3])F 62a_100025704064_200025704644 [0,2,0,0,0,0|1,1,0]=4 4992 B12R1.57 C[C@@H](N)c1ccc(cc1S[13CH3])F 62a_200025704644_100025704064 [0,2,0,0,0,0|1,1,0]=4 4993 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000192831_200025704644 [0,2,0,0,0,0|2,0,0]=4 4994 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000192831_200025704644 [0,2,0,0,0,0|2,0,0]=4 4995 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 34a_100000185798_200025704644 [0,2,0,0,0,0|1,0,0]=3 4996 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 7a_100000185798_200025704644 [0,2,0,0,0,0|1,0,0]=3 4997 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100000195450_200025704644 [0,2,0,0,0,0|2,0,0]=4 4998 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100000195450_200025704644 [0,2,0,0,0,0|2,0,0]=4 4999 B12R1.57 Cc1ccc(c(c1)S[13CH3])N(C)C 62a_100012353700_200025704644 [0,2,0,0,0,0|1,1,0]=4 5000 B12R1.57 Cc1ccc(c(c1)S[13CH3])N(C)C 62a_200025704644_100012353700 [0,2,0,0,0,0|1,1,0]=4 5001 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 34a_100011550861_200025704644 [0,2,0,0,0,0|2,0,0]=4 5002 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 7a_100011550861_200025704644 [0,2,0,0,0,0|2,0,0]=4 5003 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200025704644 [0,2,0,0,0,0|2,0,0]=4 5004 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200025704644 [0,2,0,0,0,0|2,0,0]=4 5005 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 34a_100000223280_200025704644 [0,2,0,0,0,0|2,0,0]=4 5006 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 7a_100000223280_200025704644 [0,2,0,0,0,0|2,0,0]=4 5007 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200025704644 [0,2,0,0,0,0|2,0,0]=4 5008 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200025704644 [0,2,0,0,0,0|2,0,0]=4 5009 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200025704644 [0,2,0,0,0,0|2,0,0]=4 5010 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200025704644 [0,2,0,0,0,0|2,0,0]=4 5011 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200025704644 [0,2,0,0,0,0|2,0,0]=4 5012 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200025704644 [0,2,0,0,0,0|2,0,0]=4 5013 B12R1.78 C=Cc1cc(c(nn1)OC)OC 271570a_100011290941_200000095610 [0,2,0,0,0,0|2,0,0]=4 5014 B12R1.78 C=Cc1cc(ccc1OC)C#N 271570a_100011290941_100000188253 [0,2,0,0,0,0|1,0,1]=4 5015 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [0,2,0,0,0,0|1,0,1]=4 5016 B12R1.78 C=Cc1cc(ccc1OC)CC 271570a_100011290941_100010062400 [0,2,0,0,0,0|1,0,1]=4 5017 B12R1.78 C=Cc1cc(ccc1OC)CN 271570a_100011290941_100159240714 [0,2,0,0,0,0|1,0,1]=4 5018 B12R1.78 C=Cc1cc(ccc1OC)CO 271570a_100011290941_100000246451 [0,2,0,0,0,0|1,0,1]=4 5019 B12R1.78 C=Cc1cc(ccc1OC)NC 271570a_100011290941_114948341033 [0,2,0,0,0,0|1,0,1]=4 5020 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [0,2,0,0,0,0|1,0,1]=4 5021 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [0,2,0,0,0,0|2,0,0]=4 5022 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [0,2,0,0,0,0|2,0,0]=4 5023 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [0,2,0,0,0,0|1,0,0]=3 5024 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [0,2,0,0,0,0|2,0,0]=4 5025 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [0,2,0,0,0,0|2,0,0]=4 5026 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [0,2,0,0,0,0|2,0,0]=4 5027 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [0,2,0,0,0,0|2,0,0]=4 5028 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [0,2,0,0,0,0|1,0,0]=3 5029 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [0,2,0,0,0,0|2,0,0]=4 5030 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [0,2,0,0,0,0|0,0,0]=2 5031 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [0,2,0,0,0,0|0,0,0]=2 5032 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [0,2,0,0,0,0|0,0,0]=2 5033 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [0,2,0,0,0,0|0,1,0]=3 5034 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [0,2,0,0,0,0|0,1,0]=3 5035 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [0,2,0,0,0,0|1,0,0]=3 5036 B12R1.78 C=Cc1ccc(cc1OC)C#N 271570a_100011290941_100012356288 [0,2,0,0,0,0|1,0,1]=4 5037 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [0,2,0,0,0,0|1,0,1]=4 5038 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [0,2,0,0,0,0|1,0,1]=4 5039 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [0,2,0,0,0,0|1,0,1]=4 5040 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,2,0,0,0,0|1,0,1]=4 5041 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [0,2,0,0,0,0|1,0,0]=3 5042 B12R1.78 C=Cc1cnc(c(n1)OC)OC 271570a_100011290941_100010132954 [0,2,0,0,0,0|2,0,0]=4 5043 B12R1.78 C=Cc1ncc(c(n1)OC)OC 271570a_100011290941_100010280452 [0,2,0,0,0,0|2,0,0]=4 5044 B12R1.78 CCc1cc(ccc1NC)C#N 27a_100102657272_100010115944 [0,2,0,0,0,0|2,0,0]=4 5045 B12R1.78 CCc1cc(ccc1NC)C#N 34a_100011219738_200000210301 [0,2,0,0,0,0|2,0,0]=4 5046 B12R1.78 CCc1cc(ccc1NC)C#N 7a_100011219738_200000210301 [0,2,0,0,0,0|2,0,0]=4 5047 B12R1.78 CCc1cc(ccc1N[13CH3])C#N 34a_100011219738_200025704644 [0,2,0,0,0,0|2,0,0]=4 5048 B12R1.78 CCc1cc(ccc1N[13CH3])C#N 7a_100011219738_200025704644 [0,2,0,0,0,0|2,0,0]=4 5049 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [0,2,0,0,0,0|1,0,0]=3 5050 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [0,2,0,0,0,0|1,0,0]=3 5051 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [0,2,0,0,0,0|1,0,0]=3 5052 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [0,2,0,0,0,0|1,0,0]=3 5053 B12R1.78 CCc1cc(ccc1SC)C#N 62a_200000210301_100010115944 [0,2,0,0,0,0|1,1,0]=4 5054 B12R1.78 CCc1cc(ccc1SC)OC 62a_100000720562_200000210301 [0,2,0,0,0,0|1,1,0]=4 5055 B12R1.78 CCc1cc(ccc1SC)OC 62a_200000210301_100000720562 [0,2,0,0,0,0|1,1,0]=4 5056 B12R1.78 CCc1cc(ccc1S[13CH3])C#N 62a_200025704644_100010115944 [0,2,0,0,0,0|1,1,0]=4 5057 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_100000720562_200025704644 [0,2,0,0,0,0|1,1,0]=4 5058 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_200025704644_100000720562 [0,2,0,0,0,0|1,1,0]=4 5059 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [0,2,0,0,0,0|1,0,0]=3 5060 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [0,2,0,0,0,0|1,0,0]=3 5061 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [0,2,0,0,0,0|1,0,0]=3 5062 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [0,2,0,0,0,0|1,0,0]=3 5063 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [0,2,0,0,0,0|0,0,0]=2 5064 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [0,2,0,0,0,0|0,0,0]=2 5065 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [0,2,0,0,0,0|0,0,0]=2 5066 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [0,2,0,0,0,0|0,0,0]=2 5067 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [0,2,0,0,0,0|0,0,0]=2 5068 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [0,2,0,0,0,0|0,0,0]=2 5069 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [0,2,0,0,0,0|0,1,0]=3 5070 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [0,2,0,0,0,0|0,1,0]=3 5071 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [0,2,0,0,0,0|0,1,0]=3 5072 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [0,2,0,0,0,0|0,1,0]=3 5073 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [0,2,0,0,0,0|0,0,0]=2 5074 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [0,2,0,0,0,0|0,0,0]=2 5075 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [0,2,0,0,0,0|0,1,0]=3 5076 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [0,2,0,0,0,0|0,1,0]=3 5077 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [0,2,0,0,0,0|0,1,0]=3 5078 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [0,2,0,0,0,0|0,1,0]=3 5079 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [0,2,0,0,0,0|1,0,0]=3 5080 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [0,2,0,0,0,0|1,0,0]=3 5081 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [0,2,0,0,0,0|1,0,0]=3 5082 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [0,2,0,0,0,0|1,0,0]=3 5083 B12R1.78 CNc1cc(ccc1OC)C#N 34a_100000747721_200000210301 [0,2,0,0,0,0|1,0,0]=3 5084 B12R1.78 CNc1cc(ccc1OC)C#N 7a_100000747721_200000210301 [0,2,0,0,0,0|1,0,0]=3 5085 B12R1.78 CNc1cc(ccc1OC)CO 2230a_100011269841_200000210301 [0,2,0,0,0,0|1,0,0]=3 5086 B12R1.78 CNc1cc(ccc1OC)CO 34a_100011269841_200000210301 [0,2,0,0,0,0|1,0,0]=3 5087 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [0,2,0,0,0,0|1,0,0]=3 5088 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [0,2,0,0,0,0|1,0,0]=3 5089 B12R1.78 CNc1ccc(c(c1)C#N)OC 34a_100011204338_200000210301 [0,2,0,0,0,0|2,0,0]=4 5090 B12R1.78 CNc1ccc(c(c1)C#N)OC 7a_100011204338_200000210301 [0,2,0,0,0,0|2,0,0]=4 5091 B12R1.78 CNc1ccc(c(c1)OC)C#N 34a_100011999456_200000210301 [0,2,0,0,0,0|2,0,0]=4 5092 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [0,2,0,0,0,0|2,0,0]=4 5093 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [0,2,0,0,0,0|0,0,0]=2 5094 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [0,2,0,0,0,0|0,1,0]=3 5095 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [0,2,0,0,0,0|0,1,0]=3 5096 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [0,2,0,0,0,0|0,1,0]=3 5097 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [0,2,0,0,0,0|0,1,0]=3 5098 B12R1.78 CNc1ccc(cc1OC)C#N 34a_100000701993_200000210301 [0,2,0,0,0,0|1,0,0]=3 5099 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [0,2,0,0,0,0|1,0,0]=3 5100 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [0,2,0,0,0,0|1,0,0]=3 5101 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [0,2,0,0,0,0|1,0,0]=3 5102 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [0,2,0,0,0,0|1,0,0]=3 5103 B12R1.78 CNc1ccc(cc1OC)SC 2230a_100000766855_200000210301 [0,2,0,0,0,0|1,0,0]=3 5104 B12R1.78 CNc1ccc(cc1OC)SC 34a_100000766855_200000210301 [0,2,0,0,0,0|1,0,0]=3 5105 B12R1.78 CNc1ccc(cc1SC)C#N 62a_200000210301_200020994358 [0,2,0,0,0,0|1,1,0]=4 5106 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200000210301_200010290468 [0,2,0,0,0,0|1,1,0]=4 5107 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200010290468_200000210301 [0,2,0,0,0,0|1,1,0]=4 5108 B12R1.78 CNc1ccc(cc1S[13CH3])C#N 62a_200025704644_200020994358 [0,2,0,0,0,0|1,1,0]=4 5109 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200010290468_200025704644 [0,2,0,0,0,0|1,1,0]=4 5110 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200025704644_200010290468 [0,2,0,0,0,0|1,1,0]=4 5111 B12R1.78 CNc1ncc(cc1OC)C#N 27a_100102657272_200009864118 [0,2,0,0,0,0|2,0,0]=4 5112 B12R1.78 COc1cc(c(cn1)SC)OC 62a_100010191559_200000210301 [0,2,0,0,0,0|1,1,0]=4 5113 B12R1.78 COc1cc(c(cn1)SC)OC 62a_200000210301_100010191559 [0,2,0,0,0,0|1,1,0]=4 5114 B12R1.78 COc1cc(c(cn1)S[13CH3])OC 62a_100010191559_200025704644 [0,2,0,0,0,0|1,1,0]=4 5115 B12R1.78 COc1cc(c(cn1)S[13CH3])OC 62a_200025704644_100010191559 [0,2,0,0,0,0|1,1,0]=4 5116 B12R1.78 COc1cc(c(nn1)OC)OC 34a_200010760773_200000210301 [0,2,0,0,0,0|2,0,0]=4 5117 B12R1.78 COc1cc(c(nn1)OC)O[13CH3] 34a_200010760773_200025704644 [0,2,0,0,0,0|2,0,0]=4 5118 B12R1.78 COc1cc(ccc1C#N)N[13CH3] 34a_100011999456_200025704644 [0,2,0,0,0,0|2,0,0]=4 5119 B12R1.78 COc1cc(ccc1C#N)SC 62a_200000210301_100000694671 [0,2,0,0,0,0|2,0,0]=4 5120 B12R1.78 COc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000694671 [0,2,0,0,0,0|2,0,0]=4 5121 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [0,2,0,0,0,0|2,0,0]=4 5122 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [0,2,0,0,0,0|2,0,0]=4 5123 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [0,2,0,0,0,0|2,0,0]=4 5124 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [0,2,0,0,0,0|2,0,0]=4 5125 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [0,2,0,0,0,0|2,0,0]=4 5126 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [0,2,0,0,0,0|2,0,0]=4 5127 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [0,2,0,0,0,0|2,0,0]=4 5128 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [0,2,0,0,0,0|2,0,0]=4 5129 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [0,2,0,0,0,0|2,0,0]=4 5130 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [0,2,0,0,0,0|2,0,0]=4 5131 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [0,2,0,0,0,0|2,0,0]=4 5132 B12R1.78 COc1cc(ccc1N[13CH3])C#N 34a_100000701993_200025704644 [0,2,0,0,0,0|1,0,0]=3 5133 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [0,2,0,0,0,0|1,0,0]=3 5134 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [0,2,0,0,0,0|1,0,0]=3 5135 B12R1.78 COc1cc(ccc1N[13CH3])SC 2230a_100000766855_200025704644 [0,2,0,0,0,0|1,0,0]=3 5136 B12R1.78 COc1cc(ccc1N[13CH3])SC 34a_100000766855_200025704644 [0,2,0,0,0,0|1,0,0]=3 5137 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [0,2,0,0,0,0|0,0,0]=2 5138 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [0,2,0,0,0,0|0,0,0]=2 5139 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [0,2,0,0,0,0|0,0,0]=2 5140 B12R1.78 COc1cc(ccc1SC)C#N 62a_200000210301_100012356288 [0,2,0,0,0,0|0,1,0]=3 5141 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [0,2,0,0,0,0|0,1,0]=3 5142 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [0,2,0,0,0,0|0,1,0]=3 5143 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [0,2,0,0,0,0|0,1,0]=3 5144 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [0,2,0,0,0,0|0,1,0]=3 5145 B12R1.78 COc1cc(ccc1SC)SC 62a_200011001119_200000210301 [0,2,0,0,0,0|0,1,0]=3 5146 B12R1.78 COc1cc(ccc1SC)S[13CH3] 62a_200011001119_200025704644 [0,2,0,0,0,0|0,1,0]=3 5147 B12R1.78 COc1cc(ccc1S[13CH3])C#N 62a_200025704644_100012356288 [0,2,0,0,0,0|0,1,0]=3 5148 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [0,2,0,0,0,0|0,1,0]=3 5149 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [0,2,0,0,0,0|0,1,0]=3 5150 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [0,2,0,0,0,0|0,1,0]=3 5151 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [0,2,0,0,0,0|0,1,0]=3 5152 B12R1.78 COc1cc(cnc1OC)SC 62a_200000210301_100010234541 [0,2,0,0,0,0|1,0,0]=3 5153 B12R1.78 COc1cc(cnc1OC)S[13CH3] 62a_200025704644_100010234541 [0,2,0,0,0,0|1,0,0]=3 5154 B12R1.78 COc1cc(cnc1SC)C#N 62a_200000210301_200009864118 [0,2,0,0,0,0|1,1,0]=4 5155 B12R1.78 COc1cc(cnc1S[13CH3])C#N 62a_200025704644_200009864118 [0,2,0,0,0,0|1,1,0]=4 5156 B12R1.78 COc1cc(ncc1SC)C#N 62a_200000210301_100010136804 [0,2,0,0,0,0|1,1,0]=4 5157 B12R1.78 COc1cc(ncc1SC)CO 62a_100010999569_200000210301 [0,2,0,0,0,0|1,1,0]=4 5158 B12R1.78 COc1cc(ncc1SC)CO 62a_200000210301_100010999569 [0,2,0,0,0,0|1,1,0]=4 5159 B12R1.78 COc1cc(ncc1S[13CH3])C#N 62a_200025704644_100010136804 [0,2,0,0,0,0|1,1,0]=4 5160 B12R1.78 COc1cc(ncc1S[13CH3])CO 62a_100010999569_200025704644 [0,2,0,0,0,0|1,1,0]=4 5161 B12R1.78 COc1cc(ncc1S[13CH3])CO 62a_200025704644_100010999569 [0,2,0,0,0,0|1,1,0]=4 5162 B12R1.78 COc1cc(nnc1OC)SC 62a_200000210301_200000095610 [0,2,0,0,0,0|2,0,0]=4 5163 B12R1.78 COc1cc(nnc1OC)S[13CH3] 62a_200025704644_200000095610 [0,2,0,0,0,0|2,0,0]=4 5164 B12R1.78 COc1ccc(c(c1)C#N)OC 34a_200011934229_200000210301 [0,2,0,0,0,0|2,0,0]=4 5165 B12R1.78 COc1ccc(c(c1)C#N)OC 7a_200011934229_200000210301 [0,2,0,0,0,0|2,0,0]=4 5166 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 34a_200011934229_200025704644 [0,2,0,0,0,0|2,0,0]=4 5167 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 7a_200011934229_200025704644 [0,2,0,0,0,0|2,0,0]=4 5168 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [0,2,0,0,0,0|1,0,0]=3 5169 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [0,2,0,0,0,0|1,0,0]=3 5170 B12R1.78 COc1ccc(c(c1)OC)C#N 34a_100011999188_200000210301 [0,2,0,0,0,0|2,0,0]=4 5171 B12R1.78 COc1ccc(c(c1)OC)C#N 7a_100011999188_200000210301 [0,2,0,0,0,0|2,0,0]=4 5172 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [0,2,0,0,0,0|2,0,0]=4 5173 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [0,2,0,0,0,0|2,0,0]=4 5174 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [0,2,0,0,0,0|2,0,0]=4 5175 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [0,2,0,0,0,0|1,0,0]=3 5176 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [0,2,0,0,0,0|1,0,0]=3 5177 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [0,2,0,0,0,0|0,0,0]=2 5178 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [0,2,0,0,0,0|0,0,0]=2 5179 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [0,2,0,0,0,0|0,0,0]=2 5180 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [0,2,0,0,0,0|0,0,0]=2 5181 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [0,2,0,0,0,0|0,1,0]=3 5182 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [0,2,0,0,0,0|0,1,0]=3 5183 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [0,2,0,0,0,0|0,1,0]=3 5184 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [0,2,0,0,0,0|0,1,0]=3 5185 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 34a_100011999188_200025704644 [0,2,0,0,0,0|2,0,0]=4 5186 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 7a_100011999188_200025704644 [0,2,0,0,0,0|2,0,0]=4 5187 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [0,2,0,0,0,0|2,0,0]=4 5188 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [0,2,0,0,0,0|2,0,0]=4 5189 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [0,2,0,0,0,0|0,0,0]=2 5190 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [0,2,0,0,0,0|0,1,0]=3 5191 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [0,2,0,0,0,0|0,1,0]=3 5192 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [0,2,0,0,0,0|0,1,0]=3 5193 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [0,2,0,0,0,0|0,1,0]=3 5194 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [0,2,0,0,0,0|1,0,0]=3 5195 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [0,2,0,0,0,0|1,0,0]=3 5196 B12R1.78 COc1ccc(c(n1)OC)SC 62a_100009816055_200000210301 [0,2,0,0,0,0|1,1,0]=4 5197 B12R1.78 COc1ccc(c(n1)OC)SC 62a_200000210301_100009816055 [0,2,0,0,0,0|1,1,0]=4 5198 B12R1.78 COc1ccc(c(n1)OC)S[13CH3] 62a_100009816055_200025704644 [0,2,0,0,0,0|1,1,0]=4 5199 B12R1.78 COc1ccc(c(n1)OC)S[13CH3] 62a_200025704644_100009816055 [0,2,0,0,0,0|1,1,0]=4 5200 B12R1.78 COc1ccc(cc1C#N)C#N 34a_200012183189_200000210301 [0,2,0,0,0,0|2,0,0]=4 5201 B12R1.78 COc1ccc(cc1C#N)C#N 7a_200012183189_200000210301 [0,2,0,0,0,0|2,0,0]=4 5202 B12R1.78 COc1ccc(cc1C#N)N[13CH3] 34a_100011204338_200025704644 [0,2,0,0,0,0|2,0,0]=4 5203 B12R1.78 COc1ccc(cc1C#N)N[13CH3] 7a_100011204338_200025704644 [0,2,0,0,0,0|2,0,0]=4 5204 B12R1.78 COc1ccc(cc1C#N)SC 62a_200000210301_100000188252 [0,2,0,0,0,0|2,0,0]=4 5205 B12R1.78 COc1ccc(cc1C#N)S[13CH3] 62a_200025704644_100000188252 [0,2,0,0,0,0|2,0,0]=4 5206 B12R1.78 COc1ccc(cc1C=O)SC 62a_100000170026_200000210301 [0,2,0,0,0,0|2,0,0]=4 5207 B12R1.78 COc1ccc(cc1C=O)SC 62a_200000210301_100000170026 [0,2,0,0,0,0|2,0,0]=4 5208 B12R1.78 COc1ccc(cc1C=O)S[13CH3] 62a_100000170026_200025704644 [0,2,0,0,0,0|2,0,0]=4 5209 B12R1.78 COc1ccc(cc1C=O)S[13CH3] 62a_200025704644_100000170026 [0,2,0,0,0,0|2,0,0]=4 5210 B12R1.78 COc1ccc(cc1CN)SC 62a_100000690498_200000210301 [0,2,0,0,0,0|2,0,0]=4 5211 B12R1.78 COc1ccc(cc1CN)SC 62a_200000210301_100000690498 [0,2,0,0,0,0|2,0,0]=4 5212 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_100000690498_200025704644 [0,2,0,0,0,0|2,0,0]=4 5213 B12R1.78 COc1ccc(cc1CN)S[13CH3] 62a_200025704644_100000690498 [0,2,0,0,0,0|2,0,0]=4 5214 B12R1.78 COc1ccc(cc1CO)SC 62a_100000204679_200000210301 [0,2,0,0,0,0|2,0,0]=4 5215 B12R1.78 COc1ccc(cc1CO)SC 62a_200000210301_100000204679 [0,2,0,0,0,0|2,0,0]=4 5216 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_100000204679_200025704644 [0,2,0,0,0,0|2,0,0]=4 5217 B12R1.78 COc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000204679 [0,2,0,0,0,0|2,0,0]=4 5218 B12R1.78 COc1ccc(cc1N[13CH3])C#N 34a_100000747721_200025704644 [0,2,0,0,0,0|1,0,0]=3 5219 B12R1.78 COc1ccc(cc1N[13CH3])C#N 7a_100000747721_200025704644 [0,2,0,0,0,0|1,0,0]=3 5220 B12R1.78 COc1ccc(cc1N[13CH3])CO 2230a_100011269841_200025704644 [0,2,0,0,0,0|1,0,0]=3 5221 B12R1.78 COc1ccc(cc1N[13CH3])CO 34a_100011269841_200025704644 [0,2,0,0,0,0|1,0,0]=3 5222 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [0,2,0,0,0,0|0,0,0]=2 5223 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [0,2,0,0,0,0|0,0,0]=2 5224 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [0,2,0,0,0,0|0,0,0]=2 5225 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [0,2,0,0,0,0|0,0,0]=2 5226 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [0,2,0,0,0,0|0,0,0]=2 5227 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [0,2,0,0,0,0|0,0,0]=2 5228 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [0,2,0,0,0,0|0,0,0]=2 5229 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [0,2,0,0,0,0|0,0,0]=2 5230 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [0,2,0,0,0,0|0,0,0]=2 5231 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [0,2,0,0,0,0|0,0,0]=2 5232 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [0,2,0,0,0,0|0,0,0]=2 5233 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [0,2,0,0,0,0|0,0,0]=2 5234 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [0,2,0,0,0,0|0,0,0]=2 5235 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [0,2,0,0,0,0|0,0,0]=2 5236 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [0,2,0,0,0,0|0,0,0]=2 5237 B12R1.78 COc1ccc(cc1SC)C#N 62a_200000210301_100000188253 [0,2,0,0,0,0|0,1,0]=3 5238 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [0,2,0,0,0,0|0,1,0]=3 5239 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [0,2,0,0,0,0|0,1,0]=3 5240 B12R1.78 COc1ccc(cc1SC)CN 62a_100159240714_200000210301 [0,2,0,0,0,0|0,1,0]=3 5241 B12R1.78 COc1ccc(cc1SC)CN 62a_200000210301_100159240714 [0,2,0,0,0,0|0,1,0]=3 5242 B12R1.78 COc1ccc(cc1SC)CO 62a_100000246451_200000210301 [0,2,0,0,0,0|0,1,0]=3 5243 B12R1.78 COc1ccc(cc1SC)CO 62a_200000210301_100000246451 [0,2,0,0,0,0|0,1,0]=3 5244 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [0,2,0,0,0,0|0,1,0]=3 5245 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [0,2,0,0,0,0|0,1,0]=3 5246 B12R1.78 COc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000188253 [0,2,0,0,0,0|0,1,0]=3 5247 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [0,2,0,0,0,0|0,1,0]=3 5248 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [0,2,0,0,0,0|0,1,0]=3 5249 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_100159240714_200025704644 [0,2,0,0,0,0|0,1,0]=3 5250 B12R1.78 COc1ccc(cc1S[13CH3])CN 62a_200025704644_100159240714 [0,2,0,0,0,0|0,1,0]=3 5251 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_100000246451_200025704644 [0,2,0,0,0,0|0,1,0]=3 5252 B12R1.78 COc1ccc(cc1S[13CH3])CO 62a_200025704644_100000246451 [0,2,0,0,0,0|0,1,0]=3 5253 B12R1.78 COc1ccc(nc1OC)SC 62a_200000210301_100010214848 [0,2,0,0,0,0|1,0,0]=3 5254 B12R1.78 COc1ccc(nc1OC)S[13CH3] 62a_200025704644_100010214848 [0,2,0,0,0,0|1,0,0]=3 5255 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [0,2,0,0,0,0|1,1,0]=4 5256 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [0,2,0,0,0,0|1,1,0]=4 5257 B12R1.78 COc1ccc(nc1SC)CO 62a_100009842956_200000210301 [0,2,0,0,0,0|1,1,0]=4 5258 B12R1.78 COc1ccc(nc1SC)CO 62a_200000210301_100009842956 [0,2,0,0,0,0|1,1,0]=4 5259 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [0,2,0,0,0,0|1,1,0]=4 5260 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [0,2,0,0,0,0|1,1,0]=4 5261 B12R1.78 COc1ccc(nc1S[13CH3])CO 62a_100009842956_200025704644 [0,2,0,0,0,0|1,1,0]=4 5262 B12R1.78 COc1ccc(nc1S[13CH3])CO 62a_200025704644_100009842956 [0,2,0,0,0,0|1,1,0]=4 5263 B12R1.78 COc1cnc(cc1SC)C=O 62a_100010893078_200000210301 [0,2,0,0,0,0|1,1,0]=4 5264 B12R1.78 COc1cnc(cc1SC)C=O 62a_200000210301_100010893078 [0,2,0,0,0,0|1,1,0]=4 5265 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_100010893078_200025704644 [0,2,0,0,0,0|1,1,0]=4 5266 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010893078 [0,2,0,0,0,0|1,1,0]=4 5267 B12R1.78 COc1cnc(nc1OC)SC 62a_200000210301_100010280452 [0,2,0,0,0,0|2,0,0]=4 5268 B12R1.78 COc1cnc(nc1OC)S[13CH3] 62a_200025704644_100010280452 [0,2,0,0,0,0|2,0,0]=4 5269 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [0,2,0,0,0,0|1,1,0]=4 5270 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [0,2,0,0,0,0|1,1,0]=4 5271 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [0,2,0,0,0,0|1,1,0]=4 5272 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [0,2,0,0,0,0|1,1,0]=4 5273 B12R1.78 COc1ncc(nc1OC)SC 62a_100010132954_200000210301 [0,2,0,0,0,0|2,0,0]=4 5274 B12R1.78 COc1ncc(nc1OC)SC 62a_200000210301_100010132954 [0,2,0,0,0,0|2,0,0]=4 5275 B12R1.78 COc1ncc(nc1OC)S[13CH3] 62a_100010132954_200025704644 [0,2,0,0,0,0|2,0,0]=4 5276 B12R1.78 COc1ncc(nc1OC)S[13CH3] 62a_200025704644_100010132954 [0,2,0,0,0,0|2,0,0]=4 5277 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [0,2,0,0,0,0|2,0,0]=4 5278 B12R1.78 [13CH3]Oc1ccc(cc1C#N)C#N 34a_200012183189_200025704644 [0,2,0,0,0,0|2,0,0]=4 5279 B12R1.78 [13CH3]Oc1ccc(cc1C#N)C#N 7a_200012183189_200025704644 [0,2,0,0,0,0|2,0,0]=4 5280 B12R1.112 C=C=Cc1ccc(cc1OC)Br 271570a_100015277604_100010245111 [0,2,0,0,0,0|1,0,1]=4 5281 B12R1.112 C=C=Cc1ccc(cc1OC)C 271570a_100015277604_100010200004 [0,2,0,0,0,0|1,0,1]=4 5282 B12R1.112 C=C=Cc1ccc(cc1OC)Cl 271570a_100015277604_100000050115 [0,2,0,0,0,0|1,0,1]=4 5283 B12R1.112 C=C=Cc1ccc(cc1OC)F 271570a_100015277604_100000757151 [0,2,0,0,0,0|1,0,1]=4 5284 B12R1.112 C=C=Cc1ccc(cc1OC)N 271570a_100015277604_100000765947 [0,2,0,0,0,0|1,0,1]=4 5285 B12R1.112 C=C=Cc1ccc(cc1OC)O 271570a_100015277604_100011827694 [0,2,0,0,0,0|1,0,1]=4 5286 B12R1.112 C=Cc1cc(ccc1OCC)C 271570a_100011290941_200000230997 [0,2,0,0,0,0|1,0,1]=4 5287 B12R1.112 C=Cc1cc(ccc1OCC)F 271570a_100011290941_100000171695 [0,2,0,0,0,0|1,0,1]=4 5288 B12R1.112 CC=Cc1ccc(cc1CC)Br 271570a_100016259895_100011216195 [0,2,0,0,0,0|2,0,0]=4 5289 B12R1.112 CC=Cc1ccc(cc1CC)N 271570a_100016259895_100010109747 [0,2,0,0,0,0|2,0,0]=4 5290 B12R1.112 CC=Cc1ccc(cc1NC)F 271570a_100016259895_100020633008 [0,2,0,0,0,0|2,0,0]=4 5291 B12R1.112 CC=Cc1ccc(cc1OC)Br 271570a_100016259895_100010245111 [0,2,0,0,0,0|1,0,0]=3 5292 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [0,2,0,0,0,0|1,0,0]=3 5293 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [0,2,0,0,0,0|1,0,0]=3 5294 B12R1.112 CC=Cc1ccc(cc1OC)F 271570a_100016259895_100000757151 [0,2,0,0,0,0|1,0,0]=3 5295 B12R1.112 CC=Cc1ccc(cc1OC)N 271570a_100016259895_100000765947 [0,2,0,0,0,0|1,0,0]=3 5296 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [0,2,0,0,0,0|1,0,0]=3 5297 B12R1.112 CC=Cc1ccc(cc1SC)C 271570a_100016259895_200010709736 [0,2,0,0,0,0|1,1,0]=4 5298 B12R1.112 CC=Cc1ccc(nc1OC)C 271570a_100016259895_100010138632 [0,2,0,0,0,0|2,0,0]=4 5299 B12R1.112 CC=Cc1ccc(nc1OC)N 271570a_100016259895_100010187630 [0,2,0,0,0,0|2,0,0]=4 5300 B12R1.112 CC=Cc1cnc(cc1OC)C 271570a_100016259895_100000717771 [0,2,0,0,0,0|2,0,0]=4 5301 B12R1.112 CC=Cc1cnc(cc1OC)Cl 271570a_100016259895_100010154656 [0,2,0,0,0,0|2,0,0]=4 5302 B12R1.112 CC=Cc1cnc(cc1OC)F 271570a_100016259895_100010135560 [0,2,0,0,0,0|2,0,0]=4 5303 B12R1.112 CC=Cc1cnc(cc1OC)N 271570a_100016259895_100015506990 [0,2,0,0,0,0|2,0,0]=4 5304 B12R1.112 CC=Cc1ncc(cc1OC)C 271570a_100016259895_200000118316 [0,2,0,0,0,0|2,0,0]=4 5305 B12R1.112 CC=Cc1ncc(cc1OC)F 271570a_100016259895_100009867738 [0,2,0,0,0,0|2,0,0]=4 5306 B12R1.112 CC=Cc1ncc(cc1OC)N 271570a_100016259895_100000097218 [0,2,0,0,0,0|2,0,0]=4 5307 B12R1.112 CCNc1ccc(cc1CC)Br 2230a_100000686106_100000210202 [0,2,0,0,0,0|2,0,0]=4 5308 B12R1.112 CCNc1ccc(cc1CC)Br 34a_100000686106_100000210202 [0,2,0,0,0,0|2,0,0]=4 5309 B12R1.112 CCNc1ccc(cc1CC)Br 7a_100000686106_100000210202 [0,2,0,0,0,0|2,0,0]=4 5310 B12R1.112 CCNc1ccc(cc1CC)Cl 2230a_100012017146_100000210202 [0,2,0,0,0,0|2,0,0]=4 5311 B12R1.112 CCNc1ccc(cc1CC)Cl 34a_100012017146_100000210202 [0,2,0,0,0,0|2,0,0]=4 5312 B12R1.112 CCNc1ccc(cc1CC)Cl 7a_100012017146_100000210202 [0,2,0,0,0,0|2,0,0]=4 5313 B12R1.112 CCNc1ccc(cc1CC)I 2230a_100000014069_100000210202 [0,2,0,0,0,0|2,0,0]=4 5314 B12R1.112 CCNc1ccc(cc1CC)I 34a_100000014069_100000210202 [0,2,0,0,0,0|2,0,0]=4 5315 B12R1.112 CCNc1ccc(cc1CC)I 7a_100000014069_100000210202 [0,2,0,0,0,0|2,0,0]=4 5316 B12R1.112 CCNc1ccc(cc1OC)Br 34a_100011279103_100000210202 [0,2,0,0,0,0|1,0,0]=3 5317 B12R1.112 CCNc1ccc(cc1OC)C 2230a_100000746441_100000210202 [0,2,0,0,0,0|1,0,0]=3 5318 B12R1.112 CCNc1ccc(cc1OC)C 34a_100000746441_100000210202 [0,2,0,0,0,0|1,0,0]=3 5319 B12R1.112 CCNc1ccc(cc1OC)Cl 34a_100000707585_100000210202 [0,2,0,0,0,0|1,0,0]=3 5320 B12R1.112 CCNc1ccc(cc1OC)F 34a_100000737216_100000210202 [0,2,0,0,0,0|1,0,0]=3 5321 B12R1.112 CCNc1ccc(cc1OC)I 34a_100015196925_100000210202 [0,2,0,0,0,0|1,0,0]=3 5322 B12R1.112 CCNc1ccc(cc1OC)O 34a_100015326901_100000210202 [0,2,0,0,0,0|1,0,0]=3 5323 B12R1.112 CCOc1ccc(cc1C#N)Br 34a_100000687585_100000210202 [0,2,0,0,0,0|2,0,0]=4 5324 B12R1.112 CCOc1ccc(cc1C#N)Br 7a_100000687585_100000210202 [0,2,0,0,0,0|2,0,0]=4 5325 B12R1.112 CCOc1ccc(cc1C#N)C 34a_200012180384_100000210202 [0,2,0,0,0,0|2,0,0]=4 5326 B12R1.112 CCOc1ccc(cc1C#N)C 7a_200012180384_100000210202 [0,2,0,0,0,0|2,0,0]=4 5327 B12R1.112 CCOc1ccc(cc1C#N)Cl 34a_100011219380_100000210202 [0,2,0,0,0,0|2,0,0]=4 5328 B12R1.112 CCOc1ccc(cc1C#N)Cl 7a_100011219380_100000210202 [0,2,0,0,0,0|2,0,0]=4 5329 B12R1.112 CCOc1ccc(cc1C#N)F 34a_100011900173_100000210202 [0,2,0,0,0,0|2,0,0]=4 5330 B12R1.112 CCOc1ccc(cc1C#N)F 7a_100011900173_100000210202 [0,2,0,0,0,0|2,0,0]=4 5331 B12R1.112 CCOc1ccc(cc1C#N)I 34a_200000049958_100000210202 [0,2,0,0,0,0|2,0,0]=4 5332 B12R1.112 CCOc1ccc(cc1C#N)I 7a_200000049958_100000210202 [0,2,0,0,0,0|2,0,0]=4 5333 B12R1.112 CCOc1ccc(cc1C#N)N 34a_100011249283_100000210202 [0,2,0,0,0,0|2,0,0]=4 5334 B12R1.112 CCOc1ccc(cc1C#N)N 7a_100011249283_100000210202 [0,2,0,0,0,0|2,0,0]=4 5335 B12R1.112 CCOc1ccc(cc1C#N)O 271570a_203496583355_100000188824 [0,2,0,0,0,0|2,0,0]=4 5336 B12R1.112 CCOc1ccc(cc1C=O)O 271570a_203496583355_100000170027 [0,2,0,0,0,0|2,0,0]=4 5337 B12R1.112 CCOc1ccc(cc1CBr)F 34a_100010161318_100000210202 [0,2,0,0,0,0|2,0,0]=4 5338 B12R1.112 CCOc1ccc(cc1CBr)F 7a_100010161318_100000210202 [0,2,0,0,0,0|2,0,0]=4 5339 B12R1.112 CCOc1ccc(cc1CC)Br 34a_100012338938_100000210202 [0,2,0,0,0,0|1,0,0]=3 5340 B12R1.112 CCOc1ccc(cc1CC)Br 7a_100012338938_100000210202 [0,2,0,0,0,0|1,0,0]=3 5341 B12R1.112 CCOc1ccc(cc1CC)C 34a_100009844793_100000210202 [0,2,0,0,0,0|1,0,0]=3 5342 B12R1.112 CCOc1ccc(cc1CC)C 7a_100009844793_100000210202 [0,2,0,0,0,0|1,0,0]=3 5343 B12R1.112 CCOc1ccc(cc1CC)F 34a_200000035566_100000210202 [0,2,0,0,0,0|1,0,0]=3 5344 B12R1.112 CCOc1ccc(cc1CC)F 7a_200000035566_100000210202 [0,2,0,0,0,0|1,0,0]=3 5345 B12R1.112 CCOc1ccc(cc1CC)O 271570a_203496583355_200010070707 [0,2,0,0,0,0|1,0,0]=3 5346 B12R1.112 CCOc1ccc(cc1CN)Br 34a_100000730032_100000210202 [0,2,0,0,0,0|2,0,0]=4 5347 B12R1.112 CCOc1ccc(cc1CN)Cl 34a_100000238540_100000210202 [0,2,0,0,0,0|2,0,0]=4 5348 B12R1.112 CCOc1ccc(cc1CO)Br 34a_100000184703_100000210202 [0,2,0,0,0,0|2,0,0]=4 5349 B12R1.112 CCOc1ccc(cc1CO)Br 7a_100000184703_100000210202 [0,2,0,0,0,0|2,0,0]=4 5350 B12R1.112 CCOc1ccc(cc1CO)C 34a_200011846009_100000210202 [0,2,0,0,0,0|2,0,0]=4 5351 B12R1.112 CCOc1ccc(cc1CO)C 7a_200011846009_100000210202 [0,2,0,0,0,0|2,0,0]=4 5352 B12R1.112 CCOc1ccc(cc1CO)Cl 34a_100011218961_100000210202 [0,2,0,0,0,0|2,0,0]=4 5353 B12R1.112 CCOc1ccc(cc1CO)Cl 7a_100011218961_100000210202 [0,2,0,0,0,0|2,0,0]=4 5354 B12R1.112 CCOc1ccc(cc1CO)F 34a_100011291448_100000210202 [0,2,0,0,0,0|2,0,0]=4 5355 B12R1.112 CCOc1ccc(cc1CO)F 7a_100011291448_100000210202 [0,2,0,0,0,0|2,0,0]=4 5356 B12R1.112 CCOc1ccc(cc1CO)I 34a_100000049520_100000210202 [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.112 CCOc1ccc(cc1CO)I 7a_100000049520_100000210202 [0,2,0,0,0,0|2,0,0]=4 5358 B12R1.112 CCOc1ccc(cc1NC)Br 2230a_100000751366_200000210301 [0,2,0,0,0,0|1,0,0]=3 5359 B12R1.112 CCOc1ccc(cc1NC)Br 34a_100000751366_200000210301 [0,2,0,0,0,0|1,0,0]=3 5360 B12R1.112 CCOc1ccc(cc1NC)C 2230a_100011202655_200000210301 [0,2,0,0,0,0|1,0,0]=3 5361 B12R1.112 CCOc1ccc(cc1NC)C 34a_100011202655_200000210301 [0,2,0,0,0,0|1,0,0]=3 5362 B12R1.112 CCOc1ccc(cc1NC)Cl 2230a_100000742605_200000210301 [0,2,0,0,0,0|1,0,0]=3 5363 B12R1.112 CCOc1ccc(cc1NC)Cl 34a_100000742605_200000210301 [0,2,0,0,0,0|1,0,0]=3 5364 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 2230a_100000751366_200025704644 [0,2,0,0,0,0|1,0,0]=3 5365 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 34a_100000751366_200025704644 [0,2,0,0,0,0|1,0,0]=3 5366 B12R1.112 CCOc1ccc(cc1N[13CH3])C 2230a_100011202655_200025704644 [0,2,0,0,0,0|1,0,0]=3 5367 B12R1.112 CCOc1ccc(cc1N[13CH3])C 34a_100011202655_200025704644 [0,2,0,0,0,0|1,0,0]=3 5368 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 2230a_100000742605_200025704644 [0,2,0,0,0,0|1,0,0]=3 5369 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 34a_100000742605_200025704644 [0,2,0,0,0,0|1,0,0]=3 5370 B12R1.112 CCOc1ccc(cc1OC)Br 34a_100000694246_100000210202 [0,2,0,0,0,0|0,0,0]=2 5371 B12R1.112 CCOc1ccc(cc1OC)Br 7a_100000694246_100000210202 [0,2,0,0,0,0|0,0,0]=2 5372 B12R1.112 CCOc1ccc(cc1OC)C 34a_100000186466_100000210202 [0,2,0,0,0,0|0,0,0]=2 5373 B12R1.112 CCOc1ccc(cc1OC)Cl 34a_100000033002_100000210202 [0,2,0,0,0,0|0,0,0]=2 5374 B12R1.112 CCOc1ccc(cc1OC)F 34a_100000036057_100000210202 [0,2,0,0,0,0|0,0,0]=2 5375 B12R1.112 CCOc1ccc(cc1OC)F 7a_100000036057_100000210202 [0,2,0,0,0,0|0,0,0]=2 5376 B12R1.112 CCOc1ccc(cc1OC)I 34a_100000049635_100000210202 [0,2,0,0,0,0|0,0,0]=2 5377 B12R1.112 CCOc1ccc(cc1OC)N 34a_100000726020_100000210202 [0,2,0,0,0,0|0,0,0]=2 5378 B12R1.112 CCOc1ccc(cc1OC)O 271570a_203496583355_200012344064 [0,2,0,0,0,0|0,0,0]=2 5379 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000210301_200000230997 [0,2,0,0,0,0|0,1,0]=3 5380 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000230997_200000210301 [0,2,0,0,0,0|0,1,0]=3 5381 B12R1.112 CCOc1ccc(cc1SC)F 62a_100000171695_200000210301 [0,2,0,0,0,0|0,1,0]=3 5382 B12R1.112 CCOc1ccc(cc1SC)F 62a_200000210301_100000171695 [0,2,0,0,0,0|0,1,0]=3 5383 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200000230997_200025704644 [0,2,0,0,0,0|0,1,0]=3 5384 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200025704644_200000230997 [0,2,0,0,0,0|0,1,0]=3 5385 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_100000171695_200025704644 [0,2,0,0,0,0|0,1,0]=3 5386 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_200025704644_100000171695 [0,2,0,0,0,0|0,1,0]=3 5387 B12R1.112 CCOc1ccc(nc1CC)C 34a_100000718140_100000210202 [0,2,0,0,0,0|2,0,0]=4 5388 B12R1.112 CCOc1ccc(nc1CC)C 7a_100000718140_100000210202 [0,2,0,0,0,0|2,0,0]=4 5389 B12R1.112 CCOc1ccc(nc1OC)Br 34a_100010893133_100000210202 [0,2,0,0,0,0|1,0,0]=3 5390 B12R1.112 CCOc1ncc(cc1OC)Cl 34a_200009845368_100000210202 [0,2,0,0,0,0|1,0,0]=3 5391 B12R1.112 CCOc1ncc(cc1OC)O 271570a_203496583355_200010116856 [0,2,0,0,0,0|1,0,0]=3 5392 B12R1.112 CCOc1ncc(cc1SC)Br 62a_200000210301_200010177599 [0,2,0,0,0,0|1,1,0]=4 5393 B12R1.112 CCOc1ncc(cc1SC)Br 62a_200010177599_200000210301 [0,2,0,0,0,0|1,1,0]=4 5394 B12R1.112 CCOc1ncc(cc1S[13CH3])Br 62a_200010177599_200025704644 [0,2,0,0,0,0|1,1,0]=4 5395 B12R1.112 CCOc1ncc(cc1S[13CH3])Br 62a_200025704644_200010177599 [0,2,0,0,0,0|1,1,0]=4 5396 B12R1.112 CCSc1ccc(cc1CC)Br 62a_100000210202_100011216195 [0,2,0,0,0,0|1,1,0]=4 5397 B12R1.112 CCSc1ccc(cc1CC)Br 62a_100011216195_100000210202 [0,2,0,0,0,0|1,1,0]=4 5398 B12R1.112 CCSc1ccc(cc1CC)N 62a_100000210202_100010109747 [0,2,0,0,0,0|1,1,0]=4 5399 B12R1.112 CCSc1ccc(cc1CC)N 62a_100010109747_100000210202 [0,2,0,0,0,0|1,1,0]=4 5400 B12R1.112 CCSc1ccc(cc1NC)Cl 34a_100000752208_200000210301 [0,2,0,0,0,0|1,1,0]=4 5401 B12R1.112 CCSc1ccc(cc1NC)F 62a_100000210202_100020633008 [0,2,0,0,0,0|1,1,0]=4 5402 B12R1.112 CCSc1ccc(cc1NC)F 62a_100020633008_100000210202 [0,2,0,0,0,0|1,1,0]=4 5403 B12R1.112 CCSc1ccc(cc1N[13CH3])Cl 34a_100000752208_200025704644 [0,2,0,0,0,0|1,1,0]=4 5404 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100000210202_100010245111 [0,2,0,0,0,0|0,1,0]=3 5405 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100010245111_100000210202 [0,2,0,0,0,0|0,1,0]=3 5406 B12R1.112 CCSc1ccc(cc1OC)C 62a_100000210202_100010200004 [0,2,0,0,0,0|0,1,0]=3 5407 B12R1.112 CCSc1ccc(cc1OC)C 62a_100010200004_100000210202 [0,2,0,0,0,0|0,1,0]=3 5408 B12R1.112 CCSc1ccc(cc1OC)Cl 62a_100000050115_100000210202 [0,2,0,0,0,0|0,1,0]=3 5409 B12R1.112 CCSc1ccc(cc1OC)Cl 62a_100000210202_100000050115 [0,2,0,0,0,0|0,1,0]=3 5410 B12R1.112 CCSc1ccc(cc1OC)F 62a_100000210202_100000757151 [0,2,0,0,0,0|0,1,0]=3 5411 B12R1.112 CCSc1ccc(cc1OC)F 62a_100000757151_100000210202 [0,2,0,0,0,0|0,1,0]=3 5412 B12R1.112 CCSc1ccc(cc1OC)N 62a_100000210202_100000765947 [0,2,0,0,0,0|0,1,0]=3 5413 B12R1.112 CCSc1ccc(cc1OC)N 62a_100000765947_100000210202 [0,2,0,0,0,0|0,1,0]=3 5414 B12R1.112 CCSc1ccc(cc1OC)O 62a_100000210202_100011827694 [0,2,0,0,0,0|0,1,0]=3 5415 B12R1.112 CCSc1ccc(cc1SC)C 62a_100000210202_200010709736 [0,2,0,0,0,0|0,2,0]=4 5416 B12R1.112 CCSc1ccc(cc1SC)C 62a_200010709736_100000210202 [0,2,0,0,0,0|0,2,0]=4 5417 B12R1.112 CCSc1ccc(nc1OC)C 62a_100000210202_100010138632 [0,2,0,0,0,0|1,1,0]=4 5418 B12R1.112 CCSc1ccc(nc1OC)C 62a_100010138632_100000210202 [0,2,0,0,0,0|1,1,0]=4 5419 B12R1.112 CCSc1ccc(nc1OC)N 62a_100000210202_100010187630 [0,2,0,0,0,0|1,1,0]=4 5420 B12R1.112 CCSc1ccc(nc1OC)N 62a_100010187630_100000210202 [0,2,0,0,0,0|1,1,0]=4 5421 B12R1.112 CCSc1cnc(cc1OC)C 62a_100000210202_100000717771 [0,2,0,0,0,0|1,1,0]=4 5422 B12R1.112 CCSc1cnc(cc1OC)C 62a_100000717771_100000210202 [0,2,0,0,0,0|1,1,0]=4 5423 B12R1.112 CCSc1cnc(cc1OC)Cl 62a_100000210202_100010154656 [0,2,0,0,0,0|1,1,0]=4 5424 B12R1.112 CCSc1cnc(cc1OC)Cl 62a_100010154656_100000210202 [0,2,0,0,0,0|1,1,0]=4 5425 B12R1.112 CCSc1cnc(cc1OC)F 62a_100000210202_100010135560 [0,2,0,0,0,0|1,1,0]=4 5426 B12R1.112 CCSc1cnc(cc1OC)F 62a_100010135560_100000210202 [0,2,0,0,0,0|1,1,0]=4 5427 B12R1.112 CCSc1cnc(cc1OC)N 62a_100000210202_100015506990 [0,2,0,0,0,0|1,1,0]=4 5428 B12R1.112 CCSc1cnc(cc1OC)N 62a_100015506990_100000210202 [0,2,0,0,0,0|1,1,0]=4 5429 B12R1.112 CCSc1ncc(cc1OC)C 62a_100000210202_200000118316 [0,2,0,0,0,0|1,1,0]=4 5430 B12R1.112 CCSc1ncc(cc1OC)F 62a_100000210202_100009867738 [0,2,0,0,0,0|1,1,0]=4 5431 B12R1.112 CCSc1ncc(cc1OC)F 62a_100010136273_100000210202 [0,2,0,0,0,0|1,1,0]=4 5432 B12R1.112 CCSc1ncc(cc1OC)N 62a_100000210202_100000097218 [0,2,0,0,0,0|1,1,0]=4 5433 B12R1.112 CCSc1ncc(cc1OC)N 62a_200010291755_100000210202 [0,2,0,0,0,0|1,1,0]=4 5434 B12R1.112 CCc1cc(ccc1CNC)Br 207a_100102657272_100010209654 [0,2,0,0,0,0|2,0,0]=4 5435 B12R1.112 CCc1cc(ccc1CNC)Br 269862a_106832991636_100010209654 [0,2,0,0,0,0|2,0,0]=4 5436 B12R1.112 CCc1cc(ccc1CNC)Br 26a_100102657272_100012338938 [0,2,0,0,0,0|2,0,0]=4 5437 B12R1.112 CCc1cc(ccc1CNC)Br 270004a_106832991635_100010209654 [0,2,0,0,0,0|2,0,0]=4 5438 B12R1.112 CCc1cc(ccc1NCF)Br 34a_100000686106_100015361967 [0,2,0,0,0,0|2,0,0]=4 5439 B12R1.112 CCc1cc(ccc1NCF)Br 7a_100000686106_100015361967 [0,2,0,0,0,0|2,0,0]=4 5440 B12R1.112 CCc1cc(ccc1NCF)Cl 34a_100012017146_100015361967 [0,2,0,0,0,0|2,0,0]=4 5441 B12R1.112 CCc1cc(ccc1NCF)Cl 7a_100012017146_100015361967 [0,2,0,0,0,0|2,0,0]=4 5442 B12R1.112 CCc1cc(ccc1NCF)I 34a_100000014069_100015361967 [0,2,0,0,0,0|2,0,0]=4 5443 B12R1.112 CCc1cc(ccc1NCF)I 7a_100000014069_100015361967 [0,2,0,0,0,0|2,0,0]=4 5444 B12R1.112 CCc1cc(ccc1OCF)Br 34a_100012338938_100015361967 [0,2,0,0,0,0|1,0,0]=3 5445 B12R1.112 CCc1cc(ccc1OCF)Br 7a_100012338938_100015361967 [0,2,0,0,0,0|1,0,0]=3 5446 B12R1.112 CCc1cc(ccc1OCF)C 34a_100009844793_100015361967 [0,2,0,0,0,0|1,0,0]=3 5447 B12R1.112 CCc1cc(ccc1OCF)C 7a_100009844793_100015361967 [0,2,0,0,0,0|1,0,0]=3 5448 B12R1.112 CCc1cc(ccc1OCF)F 34a_200000035566_100015361967 [0,2,0,0,0,0|1,0,0]=3 5449 B12R1.112 CCc1cc(ccc1OCF)F 7a_200000035566_100015361967 [0,2,0,0,0,0|1,0,0]=3 5450 B12R1.112 CCc1cc(ccc1SCF)Br 62a_100011216195_100015361967 [0,2,0,0,0,0|1,1,0]=4 5451 B12R1.112 CCc1cc(ccc1SCF)Br 62a_100015361967_100011216195 [0,2,0,0,0,0|1,1,0]=4 5452 B12R1.112 CCc1cc(ccc1SCF)N 62a_100010109747_100015361967 [0,2,0,0,0,0|1,1,0]=4 5453 B12R1.112 CCc1cc(ccc1SCF)N 62a_100015361967_100010109747 [0,2,0,0,0,0|1,1,0]=4 5454 B12R1.112 CCc1nc(ccc1OCF)C 34a_100000718140_100015361967 [0,2,0,0,0,0|2,0,0]=4 5455 B12R1.112 CCc1nc(ccc1OCF)C 7a_100000718140_100015361967 [0,2,0,0,0,0|2,0,0]=4 5456 B12R1.112 CNCc1ccc(cc1OC)Br 207a_100102657272_100000697075 [0,2,0,0,0,0|1,0,0]=3 5457 B12R1.112 CNCc1ccc(cc1OC)Br 2230a_106832991635_100012359436 [0,2,0,0,0,0|1,0,0]=3 5458 B12R1.112 CNCc1ccc(cc1OC)Br 26a_100102657272_100000694246 [0,2,0,0,0,0|1,0,0]=3 5459 B12R1.112 CNCc1ccc(cc1OC)Br 270004a_106832991635_100000697075 [0,2,0,0,0,0|1,0,0]=3 5460 B12R1.112 CNCc1ccc(cc1OC)Br 34a_100102657272_100012359436 [0,2,0,0,0,0|1,0,0]=3 5461 B12R1.112 CNCc1ccc(cc1OC)Br 7a_106832991635_100012359436 [0,2,0,0,0,0|1,0,0]=3 5462 B12R1.112 CNCc1ccc(cc1OC)C 207a_100102657272_100000689369 [0,2,0,0,0,0|1,0,0]=3 5463 B12R1.112 CNCc1ccc(cc1OC)C 270004a_106832991635_100000689369 [0,2,0,0,0,0|1,0,0]=3 5464 B12R1.112 CNCc1ccc(cc1OC)Cl 207a_100102657272_100000235374 [0,2,0,0,0,0|1,0,0]=3 5465 B12R1.112 CNCc1ccc(cc1OC)Cl 270004a_106832991635_100000235374 [0,2,0,0,0,0|1,0,0]=3 5466 B12R1.112 CNCc1ccc(cc1OC)F 207a_100102657272_100000042785 [0,2,0,0,0,0|1,0,0]=3 5467 B12R1.112 CNCc1ccc(cc1OC)F 2230a_106832991635_200010171551 [0,2,0,0,0,0|1,0,0]=3 5468 B12R1.112 CNCc1ccc(cc1OC)F 270004a_106832991635_100000042785 [0,2,0,0,0,0|1,0,0]=3 5469 B12R1.112 CNCc1ccc(cc1OC)F 34a_100000062129_200000210301 [0,2,0,0,0,0|1,0,0]=3 5470 B12R1.112 CNCc1ccc(cc1OC)F 34a_100102657272_200010171551 [0,2,0,0,0,0|1,0,0]=3 5471 B12R1.112 CNCc1ccc(cc1OC)F 7a_106832991635_200010171551 [0,2,0,0,0,0|1,0,0]=3 5472 B12R1.112 CNCc1ccc(cc1OC)I 207a_100102657272_100010290300 [0,2,0,0,0,0|1,0,0]=3 5473 B12R1.112 CNCc1ccc(cc1SC)F 62a_200000210301_200011192132 [0,2,0,0,0,0|1,1,0]=4 5474 B12R1.112 CNCc1ccc(cc1SC)F 62a_200011192132_200000210301 [0,2,0,0,0,0|1,1,0]=4 5475 B12R1.112 CNCc1ccc(cc1S[13CH3])F 62a_200011192132_200025704644 [0,2,0,0,0,0|1,1,0]=4 5476 B12R1.112 CNCc1ccc(cc1S[13CH3])F 62a_200025704644_200011192132 [0,2,0,0,0,0|1,1,0]=4 5477 B12R1.112 CNCc1ccc(nc1OC)Br 2230a_106832991635_100016029037 [0,2,0,0,0,0|2,0,0]=4 5478 B12R1.112 CNCc1ccc(nc1OC)Br 34a_100102657272_100016029037 [0,2,0,0,0,0|2,0,0]=4 5479 B12R1.112 CNCc1ccc(nc1OC)Br 7a_106832991635_100016029037 [0,2,0,0,0,0|2,0,0]=4 5480 B12R1.112 CNCc1ccc(nc1OC)Cl 2230a_100015687481_200000210301 [0,2,0,0,0,0|2,0,0]=4 5481 B12R1.112 CNCc1ccc(nc1OC)Cl 34a_100015687481_200000210301 [0,2,0,0,0,0|2,0,0]=4 5482 B12R1.112 CNCc1ncc(cc1OC)Br 207a_100102657272_100010246152 [0,2,0,0,0,0|2,0,0]=4 5483 B12R1.112 CNCc1ncc(cc1OC)Br 270004a_106832991635_100010246152 [0,2,0,0,0,0|2,0,0]=4 5484 B12R1.112 CNc1cc(ccc1COC)Br 34a_100013084866_200000210301 [0,2,0,0,0,0|1,0,0]=3 5485 B12R1.112 CNc1cc(ccc1COC)Br 7a_100013084866_200000210301 [0,2,0,0,0,0|1,0,0]=3 5486 B12R1.112 CNc1cc(ccc1SCF)F 62a_100015361967_100020633008 [0,2,0,0,0,0|1,1,0]=4 5487 B12R1.112 CNc1cc(ccc1SCF)F 62a_100020633008_100015361967 [0,2,0,0,0,0|1,1,0]=4 5488 B12R1.112 COCc1ccc(cc1C#N)Br 34a_100138415774_100000687761 [0,2,0,0,0,0|2,0,0]=4 5489 B12R1.112 COCc1ccc(cc1C#N)Cl 34a_100138415774_100000702095 [0,2,0,0,0,0|2,0,0]=4 5490 B12R1.112 COCc1ccc(cc1C#N)F 34a_100138415774_100000751460 [0,2,0,0,0,0|2,0,0]=4 5491 B12R1.112 COCc1ccc(cc1C=O)F 34a_100138415774_100010132769 [0,2,0,0,0,0|2,0,0]=4 5492 B12R1.112 COCc1ccc(cc1N[13CH3])Br 34a_100013084866_200025704644 [0,2,0,0,0,0|1,0,0]=3 5493 B12R1.112 COCc1ccc(cc1N[13CH3])Br 7a_100013084866_200025704644 [0,2,0,0,0,0|1,0,0]=3 5494 B12R1.112 COCc1ccc(cc1OC)Br 34a_100011277633_200000210301 [0,2,0,0,0,0|0,0,0]=2 5495 B12R1.112 COCc1ccc(cc1OC)Br 34a_100138415774_100012359436 [0,2,0,0,0,0|0,0,0]=2 5496 B12R1.112 COCc1ccc(cc1OC)Br 7a_100011277633_200000210301 [0,2,0,0,0,0|0,0,0]=2 5497 B12R1.112 COCc1ccc(cc1OC)C 34a_200012017176_200000210301 [0,2,0,0,0,0|0,0,0]=2 5498 B12R1.112 COCc1ccc(cc1OC)C 7a_200012017176_200000210301 [0,2,0,0,0,0|0,0,0]=2 5499 B12R1.112 COCc1ccc(cc1OC)Cl 34a_200011215853_200000210301 [0,2,0,0,0,0|0,0,0]=2 5500 B12R1.112 COCc1ccc(cc1OC)Cl 7a_200011215853_200000210301 [0,2,0,0,0,0|0,0,0]=2 5501 B12R1.112 COCc1ccc(cc1OC)F 34a_100000117171_200000210301 [0,2,0,0,0,0|0,0,0]=2 5502 B12R1.112 COCc1ccc(cc1OC)F 34a_100138415774_200010171551 [0,2,0,0,0,0|0,0,0]=2 5503 B12R1.112 COCc1ccc(cc1OC)F 7a_100000117171_200000210301 [0,2,0,0,0,0|0,0,0]=2 5504 B12R1.112 COCc1ccc(cc1OC)I 34a_100010233823_200000210301 [0,2,0,0,0,0|0,0,0]=2 5505 B12R1.112 COCc1ccc(cc1OC)I 7a_100010233823_200000210301 [0,2,0,0,0,0|0,0,0]=2 5506 B12R1.112 COCc1ccc(cc1OC)N 34a_100012183141_200000210301 [0,2,0,0,0,0|0,0,0]=2 5507 B12R1.112 COCc1ccc(nc1OC)Br 34a_100010988397_200000210301 [0,2,0,0,0,0|1,0,0]=3 5508 B12R1.112 COCc1ccc(nc1OC)Br 34a_100138415774_100016029037 [0,2,0,0,0,0|1,0,0]=3 5509 B12R1.112 COCc1ccc(nc1OC)Cl 34a_200009869906_200000210301 [0,2,0,0,0,0|1,0,0]=3 5510 B12R1.112 COCc1cnc(cc1OC)Cl 34a_100010714672_200000210301 [0,2,0,0,0,0|1,0,0]=3 5511 B12R1.112 COCc1cnc(nc1OC)Cl 34a_200011024631_200000210301 [0,2,0,0,0,0|2,0,0]=4 5512 B12R1.112 COCc1ncc(cc1OC)Br 34a_200010246159_200000210301 [0,2,0,0,0,0|1,0,0]=3 5513 B12R1.112 COCc1ncc(cc1OC)Br 7a_200010246159_200000210301 [0,2,0,0,0,0|1,0,0]=3 5514 B12R1.112 COc1cc(ccc1CC#N)O 271570a_203496583355_100010245117 [0,2,0,0,0,0|1,0,1]=4 5515 B12R1.112 COc1cc(ccc1CN[13CH3])F 34a_100000062129_200025704644 [0,2,0,0,0,0|1,0,0]=3 5516 B12R1.112 COc1cc(ccc1CO[13CH3])Br 34a_100011277633_200025704644 [0,2,0,0,0,0|0,0,0]=2 5517 B12R1.112 COc1cc(ccc1CO[13CH3])Br 7a_100011277633_200025704644 [0,2,0,0,0,0|0,0,0]=2 5518 B12R1.112 COc1cc(ccc1CO[13CH3])C 34a_200012017176_200025704644 [0,2,0,0,0,0|0,0,0]=2 5519 B12R1.112 COc1cc(ccc1CO[13CH3])C 7a_200012017176_200025704644 [0,2,0,0,0,0|0,0,0]=2 5520 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 34a_200011215853_200025704644 [0,2,0,0,0,0|0,0,0]=2 5521 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 7a_200011215853_200025704644 [0,2,0,0,0,0|0,0,0]=2 5522 B12R1.112 COc1cc(ccc1CO[13CH3])F 34a_100000117171_200025704644 [0,2,0,0,0,0|0,0,0]=2 5523 B12R1.112 COc1cc(ccc1CO[13CH3])F 7a_100000117171_200025704644 [0,2,0,0,0,0|0,0,0]=2 5524 B12R1.112 COc1cc(ccc1CO[13CH3])I 34a_100010233823_200025704644 [0,2,0,0,0,0|0,0,0]=2 5525 B12R1.112 COc1cc(ccc1CO[13CH3])I 7a_100010233823_200025704644 [0,2,0,0,0,0|0,0,0]=2 5526 B12R1.112 COc1cc(ccc1CO[13CH3])N 34a_100012183141_200025704644 [0,2,0,0,0,0|0,0,0]=2 5527 B12R1.112 COc1cc(ccc1CSC)Br 62a_100012359436_200000210301 [0,2,0,0,0,0|0,1,0]=3 5528 B12R1.112 COc1cc(ccc1CSC)Br 62a_200000210301_100012359436 [0,2,0,0,0,0|0,1,0]=3 5529 B12R1.112 COc1cc(ccc1CSC)F 62a_200000210301_200010171551 [0,2,0,0,0,0|0,1,0]=3 5530 B12R1.112 COc1cc(ccc1CSC)F 62a_200010171551_200000210301 [0,2,0,0,0,0|0,1,0]=3 5531 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_100012359436_200025704644 [0,2,0,0,0,0|0,1,0]=3 5532 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_200025704644_100012359436 [0,2,0,0,0,0|0,1,0]=3 5533 B12R1.112 COc1cc(ccc1CS[13CH3])F 62a_200010171551_200025704644 [0,2,0,0,0,0|0,1,0]=3 5534 B12R1.112 COc1cc(ccc1CS[13CH3])F 62a_200025704644_200010171551 [0,2,0,0,0,0|0,1,0]=3 5535 B12R1.112 COc1cc(ccc1NCF)Br 34a_100011279103_100015361967 [0,2,0,0,0,0|1,0,0]=3 5536 B12R1.112 COc1cc(ccc1NCF)C 34a_100000746441_100015361967 [0,2,0,0,0,0|1,0,0]=3 5537 B12R1.112 COc1cc(ccc1NCF)Cl 34a_100000707585_100015361967 [0,2,0,0,0,0|1,0,0]=3 5538 B12R1.112 COc1cc(ccc1NCF)F 34a_100000737216_100015361967 [0,2,0,0,0,0|1,0,0]=3 5539 B12R1.112 COc1cc(ccc1NCF)I 34a_100015196925_100015361967 [0,2,0,0,0,0|1,0,0]=3 5540 B12R1.112 COc1cc(ccc1NCF)O 34a_100015326901_100015361967 [0,2,0,0,0,0|1,0,0]=3 5541 B12R1.112 COc1cc(ccc1OCF)Br 34a_100000694246_100015361967 [0,2,0,0,0,0|0,0,0]=2 5542 B12R1.112 COc1cc(ccc1OCF)Br 7a_100000694246_100015361967 [0,2,0,0,0,0|0,0,0]=2 5543 B12R1.112 COc1cc(ccc1OCF)C 34a_100000186466_100015361967 [0,2,0,0,0,0|0,0,0]=2 5544 B12R1.112 COc1cc(ccc1OCF)Cl 34a_100000033002_100015361967 [0,2,0,0,0,0|0,0,0]=2 5545 B12R1.112 COc1cc(ccc1OCF)F 34a_100000036057_100015361967 [0,2,0,0,0,0|0,0,0]=2 5546 B12R1.112 COc1cc(ccc1OCF)F 7a_100000036057_100015361967 [0,2,0,0,0,0|0,0,0]=2 5547 B12R1.112 COc1cc(ccc1OCF)I 34a_100000049635_100015361967 [0,2,0,0,0,0|0,0,0]=2 5548 B12R1.112 COc1cc(ccc1OCF)N 34a_100000726020_100015361967 [0,2,0,0,0,0|0,0,0]=2 5549 B12R1.112 COc1cc(ccc1SCF)Br 62a_100010245111_100015361967 [0,2,0,0,0,0|0,1,0]=3 5550 B12R1.112 COc1cc(ccc1SCF)Br 62a_100015361967_100010245111 [0,2,0,0,0,0|0,1,0]=3 5551 B12R1.112 COc1cc(ccc1SCF)C 62a_100010200004_100015361967 [0,2,0,0,0,0|0,1,0]=3 5552 B12R1.112 COc1cc(ccc1SCF)C 62a_100015361967_100010200004 [0,2,0,0,0,0|0,1,0]=3 5553 B12R1.112 COc1cc(ccc1SCF)Cl 62a_100000050115_100015361967 [0,2,0,0,0,0|0,1,0]=3 5554 B12R1.112 COc1cc(ccc1SCF)Cl 62a_100015361967_100000050115 [0,2,0,0,0,0|0,1,0]=3 5555 B12R1.112 COc1cc(ccc1SCF)F 62a_100000757151_100015361967 [0,2,0,0,0,0|0,1,0]=3 5556 B12R1.112 COc1cc(ccc1SCF)F 62a_100015361967_100000757151 [0,2,0,0,0,0|0,1,0]=3 5557 B12R1.112 COc1cc(ccc1SCF)N 62a_100000765947_100015361967 [0,2,0,0,0,0|0,1,0]=3 5558 B12R1.112 COc1cc(ccc1SCF)N 62a_100015361967_100000765947 [0,2,0,0,0,0|0,1,0]=3 5559 B12R1.112 COc1cc(ccc1SCF)O 62a_100015361967_100011827694 [0,2,0,0,0,0|0,1,0]=3 5560 B12R1.112 COc1cc(cnc1CO[13CH3])Br 34a_200010246159_200025704644 [0,2,0,0,0,0|1,0,0]=3 5561 B12R1.112 COc1cc(cnc1CO[13CH3])Br 7a_200010246159_200025704644 [0,2,0,0,0,0|1,0,0]=3 5562 B12R1.112 COc1cc(cnc1OCF)Cl 34a_200009845368_100015361967 [0,2,0,0,0,0|1,0,0]=3 5563 B12R1.112 COc1cc(cnc1SCF)C 62a_100015361967_200000118316 [0,2,0,0,0,0|1,1,0]=4 5564 B12R1.112 COc1cc(cnc1SCF)F 62a_100010136273_100015361967 [0,2,0,0,0,0|1,1,0]=4 5565 B12R1.112 COc1cc(cnc1SCF)F 62a_100015361967_100009867738 [0,2,0,0,0,0|1,1,0]=4 5566 B12R1.112 COc1cc(cnc1SCF)N 62a_100015361967_100000097218 [0,2,0,0,0,0|1,1,0]=4 5567 B12R1.112 COc1cc(cnc1SCF)N 62a_200010291755_100015361967 [0,2,0,0,0,0|1,1,0]=4 5568 B12R1.112 COc1cc(ncc1CO[13CH3])Cl 34a_100010714672_200025704644 [0,2,0,0,0,0|1,0,0]=3 5569 B12R1.112 COc1cc(ncc1SCF)C 62a_100000717771_100015361967 [0,2,0,0,0,0|1,1,0]=4 5570 B12R1.112 COc1cc(ncc1SCF)C 62a_100015361967_100000717771 [0,2,0,0,0,0|1,1,0]=4 5571 B12R1.112 COc1cc(ncc1SCF)Cl 62a_100010154656_100015361967 [0,2,0,0,0,0|1,1,0]=4 5572 B12R1.112 COc1cc(ncc1SCF)Cl 62a_100015361967_100010154656 [0,2,0,0,0,0|1,1,0]=4 5573 B12R1.112 COc1cc(ncc1SCF)F 62a_100010135560_100015361967 [0,2,0,0,0,0|1,1,0]=4 5574 B12R1.112 COc1cc(ncc1SCF)F 62a_100015361967_100010135560 [0,2,0,0,0,0|1,1,0]=4 5575 B12R1.112 COc1cc(ncc1SCF)N 62a_100015361967_100015506990 [0,2,0,0,0,0|1,1,0]=4 5576 B12R1.112 COc1cc(ncc1SCF)N 62a_100015506990_100015361967 [0,2,0,0,0,0|1,1,0]=4 5577 B12R1.112 COc1nc(ccc1CN[13CH3])Cl 2230a_100015687481_200025704644 [0,2,0,0,0,0|2,0,0]=4 5578 B12R1.112 COc1nc(ccc1CN[13CH3])Cl 34a_100015687481_200025704644 [0,2,0,0,0,0|2,0,0]=4 5579 B12R1.112 COc1nc(ccc1CO[13CH3])Br 34a_100010988397_200025704644 [0,2,0,0,0,0|1,0,0]=3 5580 B12R1.112 COc1nc(ccc1CO[13CH3])Cl 34a_200009869906_200025704644 [0,2,0,0,0,0|1,0,0]=3 5581 B12R1.112 COc1nc(ccc1CSC)Br 62a_100016029037_200000210301 [0,2,0,0,0,0|1,1,0]=4 5582 B12R1.112 COc1nc(ccc1CSC)Br 62a_200000210301_100016029037 [0,2,0,0,0,0|1,1,0]=4 5583 B12R1.112 COc1nc(ccc1CS[13CH3])Br 62a_100016029037_200025704644 [0,2,0,0,0,0|1,1,0]=4 5584 B12R1.112 COc1nc(ccc1CS[13CH3])Br 62a_200025704644_100016029037 [0,2,0,0,0,0|1,1,0]=4 5585 B12R1.112 COc1nc(ccc1OCF)Br 34a_100010893133_100015361967 [0,2,0,0,0,0|1,0,0]=3 5586 B12R1.112 COc1nc(ccc1SCF)C 62a_100010138632_100015361967 [0,2,0,0,0,0|1,1,0]=4 5587 B12R1.112 COc1nc(ccc1SCF)C 62a_100015361967_100010138632 [0,2,0,0,0,0|1,1,0]=4 5588 B12R1.112 COc1nc(ccc1SCF)N 62a_100010187630_100015361967 [0,2,0,0,0,0|1,1,0]=4 5589 B12R1.112 COc1nc(ccc1SCF)N 62a_100015361967_100010187630 [0,2,0,0,0,0|1,1,0]=4 5590 B12R1.112 COc1nc(ncc1CO[13CH3])Cl 34a_200011024631_200025704644 [0,2,0,0,0,0|2,0,0]=4 5591 B12R1.112 CSc1cc(ccc1SCF)C 62a_100015361967_200010709736 [0,2,0,0,0,0|0,2,0]=4 5592 B12R1.112 CSc1cc(ccc1SCF)C 62a_200010709736_100015361967 [0,2,0,0,0,0|0,2,0]=4 5593 B12R1.112 Cc1ccc(c(c1)C#N)OCF 34a_200012180384_100015361967 [0,2,0,0,0,0|2,0,0]=4 5594 B12R1.112 Cc1ccc(c(c1)C#N)OCF 7a_200012180384_100015361967 [0,2,0,0,0,0|2,0,0]=4 5595 B12R1.112 Cc1ccc(c(c1)CO)OCF 34a_200011846009_100015361967 [0,2,0,0,0,0|2,0,0]=4 5596 B12R1.112 Cc1ccc(c(c1)CO)OCF 7a_200011846009_100015361967 [0,2,0,0,0,0|2,0,0]=4 5597 B12R1.112 FCOc1ccc(cc1CBr)F 34a_100010161318_100015361967 [0,2,0,0,0,0|2,0,0]=4 5598 B12R1.112 FCOc1ccc(cc1CBr)F 7a_100010161318_100015361967 [0,2,0,0,0,0|2,0,0]=4 5599 B12R1.112 N#Cc1cc(ccc1OCF)Br 34a_100000687585_100015361967 [0,2,0,0,0,0|2,0,0]=4 5600 B12R1.112 N#Cc1cc(ccc1OCF)Br 7a_100000687585_100015361967 [0,2,0,0,0,0|2,0,0]=4 5601 B12R1.112 N#Cc1cc(ccc1OCF)Cl 34a_100011219380_100015361967 [0,2,0,0,0,0|2,0,0]=4 5602 B12R1.112 N#Cc1cc(ccc1OCF)Cl 7a_100011219380_100015361967 [0,2,0,0,0,0|2,0,0]=4 5603 B12R1.112 N#Cc1cc(ccc1OCF)F 34a_100011900173_100015361967 [0,2,0,0,0,0|2,0,0]=4 5604 B12R1.112 N#Cc1cc(ccc1OCF)F 7a_100011900173_100015361967 [0,2,0,0,0,0|2,0,0]=4 5605 B12R1.112 N#Cc1cc(ccc1OCF)I 34a_200000049958_100015361967 [0,2,0,0,0,0|2,0,0]=4 5606 B12R1.112 N#Cc1cc(ccc1OCF)I 7a_200000049958_100015361967 [0,2,0,0,0,0|2,0,0]=4 5607 B12R1.112 N#Cc1cc(ccc1OCF)N 34a_100011249283_100015361967 [0,2,0,0,0,0|2,0,0]=4 5608 B12R1.112 N#Cc1cc(ccc1OCF)N 7a_100011249283_100015361967 [0,2,0,0,0,0|2,0,0]=4 5609 B12R1.112 NCc1cc(ccc1OCF)Br 34a_100000730032_100015361967 [0,2,0,0,0,0|2,0,0]=4 5610 B12R1.112 NCc1cc(ccc1OCF)Cl 34a_100000238540_100015361967 [0,2,0,0,0,0|2,0,0]=4 5611 B12R1.112 OCc1cc(ccc1OCF)Br 34a_100000184703_100015361967 [0,2,0,0,0,0|2,0,0]=4 5612 B12R1.112 OCc1cc(ccc1OCF)Br 7a_100000184703_100015361967 [0,2,0,0,0,0|2,0,0]=4 5613 B12R1.112 OCc1cc(ccc1OCF)Cl 34a_100011218961_100015361967 [0,2,0,0,0,0|2,0,0]=4 5614 B12R1.112 OCc1cc(ccc1OCF)Cl 7a_100011218961_100015361967 [0,2,0,0,0,0|2,0,0]=4 5615 B12R1.112 OCc1cc(ccc1OCF)F 34a_100011291448_100015361967 [0,2,0,0,0,0|2,0,0]=4 5616 B12R1.112 OCc1cc(ccc1OCF)F 7a_100011291448_100015361967 [0,2,0,0,0,0|2,0,0]=4 5617 B12R1.112 OCc1cc(ccc1OCF)I 34a_100000049520_100015361967 [0,2,0,0,0,0|2,0,0]=4 5618 B12R1.112 OCc1cc(ccc1OCF)I 7a_100000049520_100015361967 [0,2,0,0,0,0|2,0,0]=4 5619 B12R1.234 C=Cc1c(cc(cc1OC)Br)F 271570a_100011290941_100010713143 [0,2,0,0,0,0|1,0,1]=4 5620 B12R1.234 C=Cc1c(cc(cc1OC)Cl)Br 271570a_100011290941_100025705407 [0,2,0,0,0,0|1,0,1]=4 5621 B12R1.234 C=Cc1c(cc(cc1OC)Cl)Cl 271570a_100011290941_100010292537 [0,2,0,0,0,0|1,0,1]=4 5622 B12R1.234 C=Cc1cc(cc(c1OC)C)N 271570a_100011290941_100010071304 [0,2,0,0,0,0|1,0,1]=4 5623 B12R1.234 C=Cc1cc(cc(c1OC)F)C 271570a_100011290941_200010713180 [0,2,0,0,0,0|1,0,1]=4 5624 B12R1.234 C=Cc1cc(cc(c1OC)F)F 271570a_100011290941_100009813607 [0,2,0,0,0,0|1,0,1]=4 5625 B12R1.234 C=Cc1cc(cc(c1OC)F)N 271570a_100011290941_200009816006 [0,2,0,0,0,0|1,0,1]=4 5626 B12R1.234 C=Cc1cc(cc(c1OC)N)Br 271570a_100011290941_100015658936 [0,2,0,0,0,0|1,0,1]=4 5627 B12R1.234 C=Cc1cc(cc(c1OC)N)F 271570a_100011290941_100011190657 [0,2,0,0,0,0|1,0,1]=4 5628 B12R1.234 CCc1cc(cc(c1NC)Br)Br 34a_200012361292_200000210301 [0,2,0,0,0,0|2,0,0]=4 5629 B12R1.234 CCc1cc(cc(c1NC)Br)Br 7a_200012361292_200000210301 [0,2,0,0,0,0|2,0,0]=4 5630 B12R1.234 CCc1cc(cc(c1NC)C)Br 2230a_200000186424_200000210301 [0,2,0,0,0,0|2,0,0]=4 5631 B12R1.234 CCc1cc(cc(c1NC)C)Br 34a_200000186424_200000210301 [0,2,0,0,0,0|2,0,0]=4 5632 B12R1.234 CCc1cc(cc(c1NC)C)Br 7a_200000186424_200000210301 [0,2,0,0,0,0|2,0,0]=4 5633 B12R1.234 CCc1cc(cc(c1N[13CH3])Br)Br 34a_200012361292_200025704644 [0,2,0,0,0,0|2,0,0]=4 5634 B12R1.234 CCc1cc(cc(c1N[13CH3])Br)Br 7a_200012361292_200025704644 [0,2,0,0,0,0|2,0,0]=4 5635 B12R1.234 CCc1cc(cc(c1N[13CH3])C)Br 2230a_200000186424_200025704644 [0,2,0,0,0,0|2,0,0]=4 5636 B12R1.234 CCc1cc(cc(c1N[13CH3])C)Br 34a_200000186424_200025704644 [0,2,0,0,0,0|2,0,0]=4 5637 B12R1.234 CCc1cc(cc(c1N[13CH3])C)Br 7a_200000186424_200025704644 [0,2,0,0,0,0|2,0,0]=4 5638 B12R1.234 CCc1cc(cc(c1OC)C)Br 34a_100010659108_200000210301 [0,2,0,0,0,0|1,0,0]=3 5639 B12R1.234 CCc1cc(cc(c1OC)C)Br 7a_100010659108_200000210301 [0,2,0,0,0,0|1,0,0]=3 5640 B12R1.234 CCc1cc(cc(c1O[13CH3])C)Br 34a_100010659108_200025704644 [0,2,0,0,0,0|1,0,0]=3 5641 B12R1.234 CCc1cc(cc(c1O[13CH3])C)Br 7a_100010659108_200025704644 [0,2,0,0,0,0|1,0,0]=3 5642 B12R1.234 CNc1c(cc(cc1OC)Br)Br 34a_100010253907_200000210301 [0,2,0,0,0,0|1,0,0]=3 5643 B12R1.234 CNc1c(cc(cc1OC)Br)C 34a_100000741850_200000210301 [0,2,0,0,0,0|1,0,0]=3 5644 B12R1.234 CNc1c(cc(cc1OC)Cl)Br 34a_200010138668_200000210301 [0,2,0,0,0,0|1,0,0]=3 5645 B12R1.234 CNc1c(cc(cc1OC)Cl)Cl 34a_100009955935_200000210301 [0,2,0,0,0,0|1,0,0]=3 5646 B12R1.234 CNc1c(cc(cc1OC)F)Br 34a_100011004115_200000210301 [0,2,0,0,0,0|1,0,0]=3 5647 B12R1.234 CNc1c(cc(cc1SC)F)N 62a_114929179422_200000210301 [0,2,0,0,0,0|1,1,0]=4 5648 B12R1.234 CNc1c(cc(cc1SC)F)N 62a_200000210301_114929179422 [0,2,0,0,0,0|1,1,0]=4 5649 B12R1.234 CNc1c(cc(cc1S[13CH3])F)N 62a_114929179422_200025704644 [0,2,0,0,0,0|1,1,0]=4 5650 B12R1.234 CNc1c(cc(cc1S[13CH3])F)N 62a_200025704644_114929179422 [0,2,0,0,0,0|1,1,0]=4 5651 B12R1.234 CNc1cc(cc(c1OC)Br)Cl 34a_100000243884_200000210301 [0,2,0,0,0,0|1,0,0]=3 5652 B12R1.234 CNc1cc(cc(c1OC)Br)F 34a_100011190657_200000210301 [0,2,0,0,0,0|1,0,0]=3 5653 B12R1.234 CNc1cc(cc(c1OC)Cl)Cl 34a_100009871722_200000210301 [0,2,0,0,0,0|1,0,0]=3 5654 B12R1.234 CNc1cc(cc(c1OC)F)Br 34a_200010245146_200000210301 [0,2,0,0,0,0|1,0,0]=3 5655 B12R1.234 CNc1cc(cc(c1OC)F)C 34a_100009958095_200000210301 [0,2,0,0,0,0|1,0,0]=3 5656 B12R1.234 CNc1cc(cc(c1OC)F)F 34a_100000061580_200000210301 [0,2,0,0,0,0|1,0,0]=3 5657 B12R1.234 COc1c(cc(cc1C#N)Br)Br 34a_100009814147_200000210301 [0,2,0,0,0,0|2,0,0]=4 5658 B12R1.234 COc1c(cc(cc1C#N)Br)Br 7a_100009814147_200000210301 [0,2,0,0,0,0|2,0,0]=4 5659 B12R1.234 COc1c(cc(cc1C#N)Br)C 34a_100010195408_200000210301 [0,2,0,0,0,0|2,0,0]=4 5660 B12R1.234 COc1c(cc(cc1C#N)Br)C 7a_100010195408_200000210301 [0,2,0,0,0,0|2,0,0]=4 5661 B12R1.234 COc1c(cc(cc1C#N)Br)Cl 34a_100010218075_200000210301 [0,2,0,0,0,0|2,0,0]=4 5662 B12R1.234 COc1c(cc(cc1C#N)Br)Cl 7a_100010218075_200000210301 [0,2,0,0,0,0|2,0,0]=4 5663 B12R1.234 COc1c(cc(cc1C#N)F)Br 34a_100010674538_200000210301 [0,2,0,0,0,0|2,0,0]=4 5664 B12R1.234 COc1c(cc(cc1C#N)F)Br 7a_100010674538_200000210301 [0,2,0,0,0,0|2,0,0]=4 5665 B12R1.234 COc1c(cc(cc1C#N)F)F 34a_100000068412_200000210301 [0,2,0,0,0,0|2,0,0]=4 5666 B12R1.234 COc1c(cc(cc1C#N)F)F 7a_100000068412_200000210301 [0,2,0,0,0,0|2,0,0]=4 5667 B12R1.234 COc1c(cc(cc1C=O)C)O 271570a_203496583355_200010171662 [0,2,0,0,0,0|2,0,0]=4 5668 B12R1.234 COc1c(cc(cc1C=O)F)O 271570a_203496583355_100010240317 [0,2,0,0,0,0|2,0,0]=4 5669 B12R1.234 COc1c(cc(cc1CBr)Br)Br 34a_200009814416_200000210301 [0,2,0,0,0,0|2,0,0]=4 5670 B12R1.234 COc1c(cc(cc1CBr)Br)Br 7a_200009814416_200000210301 [0,2,0,0,0,0|2,0,0]=4 5671 B12R1.234 COc1c(cc(cc1CO)Cl)Br 34a_100009812756_200000210301 [0,2,0,0,0,0|2,0,0]=4 5672 B12R1.234 COc1c(cc(cc1CO)Cl)Br 7a_100009812756_200000210301 [0,2,0,0,0,0|2,0,0]=4 5673 B12R1.234 COc1c(cc(cc1N[13CH3])Br)F 34a_200010245146_200025704644 [0,2,0,0,0,0|1,0,0]=3 5674 B12R1.234 COc1c(cc(cc1N[13CH3])C)F 34a_100009958095_200025704644 [0,2,0,0,0,0|1,0,0]=3 5675 B12R1.234 COc1c(cc(cc1N[13CH3])Cl)Br 34a_100000243884_200025704644 [0,2,0,0,0,0|1,0,0]=3 5676 B12R1.234 COc1c(cc(cc1N[13CH3])Cl)Cl 34a_100009871722_200025704644 [0,2,0,0,0,0|1,0,0]=3 5677 B12R1.234 COc1c(cc(cc1N[13CH3])F)Br 34a_100011190657_200025704644 [0,2,0,0,0,0|1,0,0]=3 5678 B12R1.234 COc1c(cc(cc1N[13CH3])F)F 34a_100000061580_200025704644 [0,2,0,0,0,0|1,0,0]=3 5679 B12R1.234 COc1c(cc(cc1SC)Br)N 62a_100015658936_200000210301 [0,2,0,0,0,0|0,1,0]=3 5680 B12R1.234 COc1c(cc(cc1SC)Br)N 62a_200000210301_100015658936 [0,2,0,0,0,0|0,1,0]=3 5681 B12R1.234 COc1c(cc(cc1SC)C)F 62a_200000210301_200010713180 [0,2,0,0,0,0|0,1,0]=3 5682 B12R1.234 COc1c(cc(cc1SC)C)F 62a_200010713180_200000210301 [0,2,0,0,0,0|0,1,0]=3 5683 B12R1.234 COc1c(cc(cc1SC)F)F 62a_100009813607_200000210301 [0,2,0,0,0,0|0,1,0]=3 5684 B12R1.234 COc1c(cc(cc1SC)F)F 62a_200000210301_100009813607 [0,2,0,0,0,0|0,1,0]=3 5685 B12R1.234 COc1c(cc(cc1SC)F)N 62a_100011190657_200000210301 [0,2,0,0,0,0|0,1,0]=3 5686 B12R1.234 COc1c(cc(cc1SC)F)N 62a_200000210301_100011190657 [0,2,0,0,0,0|0,1,0]=3 5687 B12R1.234 COc1c(cc(cc1SC)N)C 62a_100010071304_200000210301 [0,2,0,0,0,0|0,1,0]=3 5688 B12R1.234 COc1c(cc(cc1SC)N)C 62a_200000210301_100010071304 [0,2,0,0,0,0|0,1,0]=3 5689 B12R1.234 COc1c(cc(cc1SC)N)F 62a_200000210301_200009816006 [0,2,0,0,0,0|0,1,0]=3 5690 B12R1.234 COc1c(cc(cc1SC)N)F 62a_200009816006_200000210301 [0,2,0,0,0,0|0,1,0]=3 5691 B12R1.234 COc1c(cc(cc1S[13CH3])Br)N 62a_100015658936_200025704644 [0,2,0,0,0,0|0,1,0]=3 5692 B12R1.234 COc1c(cc(cc1S[13CH3])Br)N 62a_200025704644_100015658936 [0,2,0,0,0,0|0,1,0]=3 5693 B12R1.234 COc1c(cc(cc1S[13CH3])C)F 62a_200010713180_200025704644 [0,2,0,0,0,0|0,1,0]=3 5694 B12R1.234 COc1c(cc(cc1S[13CH3])C)F 62a_200025704644_200010713180 [0,2,0,0,0,0|0,1,0]=3 5695 B12R1.234 COc1c(cc(cc1S[13CH3])F)F 62a_100009813607_200025704644 [0,2,0,0,0,0|0,1,0]=3 5696 B12R1.234 COc1c(cc(cc1S[13CH3])F)F 62a_200025704644_100009813607 [0,2,0,0,0,0|0,1,0]=3 5697 B12R1.234 COc1c(cc(cc1S[13CH3])F)N 62a_100011190657_200025704644 [0,2,0,0,0,0|0,1,0]=3 5698 B12R1.234 COc1c(cc(cc1S[13CH3])F)N 62a_200025704644_100011190657 [0,2,0,0,0,0|0,1,0]=3 5699 B12R1.234 COc1c(cc(cc1S[13CH3])N)C 62a_100010071304_200025704644 [0,2,0,0,0,0|0,1,0]=3 5700 B12R1.234 COc1c(cc(cc1S[13CH3])N)C 62a_200025704644_100010071304 [0,2,0,0,0,0|0,1,0]=3 5701 B12R1.234 COc1c(cc(cc1S[13CH3])N)F 62a_200009816006_200025704644 [0,2,0,0,0,0|0,1,0]=3 5702 B12R1.234 COc1c(cc(cc1S[13CH3])N)F 62a_200025704644_200009816006 [0,2,0,0,0,0|0,1,0]=3 5703 B12R1.234 COc1cc(cc(c1C#N)C)C 34a_100010659394_200000210301 [0,2,0,0,0,0|2,0,0]=4 5704 B12R1.234 COc1cc(cc(c1C#N)C)C 7a_100010659394_200000210301 [0,2,0,0,0,0|2,0,0]=4 5705 B12R1.234 COc1cc(cc(c1C#N)F)Br 34a_200011156622_200000210301 [0,2,0,0,0,0|2,0,0]=4 5706 B12R1.234 COc1cc(cc(c1C#N)F)Br 7a_200011156622_200000210301 [0,2,0,0,0,0|2,0,0]=4 5707 B12R1.234 COc1cc(cc(c1C#N)F)O 271570a_203496583355_100000697026 [0,2,0,0,0,0|2,0,0]=4 5708 B12R1.234 COc1cc(cc(c1C=O)F)O 271570a_203496583355_100010363811 [0,2,0,0,0,0|2,0,0]=4 5709 B12R1.234 COc1cc(cc(c1N[13CH3])Br)Br 34a_100010253907_200025704644 [0,2,0,0,0,0|1,0,0]=3 5710 B12R1.234 COc1cc(cc(c1N[13CH3])Br)Cl 34a_200010138668_200025704644 [0,2,0,0,0,0|1,0,0]=3 5711 B12R1.234 COc1cc(cc(c1N[13CH3])Br)F 34a_100011004115_200025704644 [0,2,0,0,0,0|1,0,0]=3 5712 B12R1.234 COc1cc(cc(c1N[13CH3])C)Br 34a_100000741850_200025704644 [0,2,0,0,0,0|1,0,0]=3 5713 B12R1.234 COc1cc(cc(c1N[13CH3])Cl)Cl 34a_100009955935_200025704644 [0,2,0,0,0,0|1,0,0]=3 5714 B12R1.234 COc1cc(cc(c1OC)Br)F 34a_200010391102_200000210301 [0,2,0,0,0,0|0,0,0]=2 5715 B12R1.234 COc1cc(cc(c1OC)Br)F 7a_200010391102_200000210301 [0,2,0,0,0,0|0,0,0]=2 5716 B12R1.234 COc1cc(cc(c1O[13CH3])Br)F 34a_200010391102_200025704644 [0,2,0,0,0,0|0,0,0]=2 5717 B12R1.234 COc1cc(cc(c1O[13CH3])Br)F 7a_200010391102_200025704644 [0,2,0,0,0,0|0,0,0]=2 5718 B12R1.234 COc1cc(cc(c1SC)Br)Cl 62a_100025705407_200000210301 [0,2,0,0,0,0|0,1,0]=3 5719 B12R1.234 COc1cc(cc(c1SC)Br)Cl 62a_200000210301_100025705407 [0,2,0,0,0,0|0,1,0]=3 5720 B12R1.234 COc1cc(cc(c1SC)Cl)Cl 62a_100010292537_200000210301 [0,2,0,0,0,0|0,1,0]=3 5721 B12R1.234 COc1cc(cc(c1SC)Cl)Cl 62a_200000210301_100010292537 [0,2,0,0,0,0|0,1,0]=3 5722 B12R1.234 COc1cc(cc(c1SC)F)Br 62a_100010713143_200000210301 [0,2,0,0,0,0|0,1,0]=3 5723 B12R1.234 COc1cc(cc(c1SC)F)Br 62a_200000210301_100010713143 [0,2,0,0,0,0|0,1,0]=3 5724 B12R1.234 COc1cc(cc(c1S[13CH3])Br)Cl 62a_100025705407_200025704644 [0,2,0,0,0,0|0,1,0]=3 5725 B12R1.234 COc1cc(cc(c1S[13CH3])Br)Cl 62a_200025704644_100025705407 [0,2,0,0,0,0|0,1,0]=3 5726 B12R1.234 COc1cc(cc(c1S[13CH3])Cl)Cl 62a_100010292537_200025704644 [0,2,0,0,0,0|0,1,0]=3 5727 B12R1.234 COc1cc(cc(c1S[13CH3])Cl)Cl 62a_200025704644_100010292537 [0,2,0,0,0,0|0,1,0]=3 5728 B12R1.234 COc1cc(cc(c1S[13CH3])F)Br 62a_100010713143_200025704644 [0,2,0,0,0,0|0,1,0]=3 5729 B12R1.234 COc1cc(cc(c1S[13CH3])F)Br 62a_200025704644_100010713143 [0,2,0,0,0,0|0,1,0]=3 5730 B12R1.234 CSc1c(cc(cc1S[13CH3])C)F 62a_200025704644_202125771776 [0,2,0,0,0,0|0,2,0]=4 5731 B12R1.234 CSc1c(cc(cc1S[13CH3])C)F 62a_202125771776_200025704644 [0,2,0,0,0,0|0,2,0]=4 5732 B12R1.234 CSc1cc(cc(c1SC)F)C 62a_200000210301_202125771776 [0,2,0,0,0,0|0,2,0]=4 5733 B12R1.234 CSc1cc(cc(c1SC)F)C 62a_202125771776_200000210301 [0,2,0,0,0,0|0,2,0]=4 5734 B12R1.234 Cc1cc(c(c(c1)O[13CH3])C#N)C 34a_100010659394_200025704644 [0,2,0,0,0,0|2,0,0]=4 5735 B12R1.234 Cc1cc(c(c(c1)O[13CH3])C#N)C 7a_100010659394_200025704644 [0,2,0,0,0,0|2,0,0]=4 5736 B12R1.234 Cc1cc(cc(c1O[13CH3])C#N)Br 34a_100010195408_200025704644 [0,2,0,0,0,0|2,0,0]=4 5737 B12R1.234 Cc1cc(cc(c1O[13CH3])C#N)Br 7a_100010195408_200025704644 [0,2,0,0,0,0|2,0,0]=4 5738 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)Br)Br 34a_100009814147_200025704644 [0,2,0,0,0,0|2,0,0]=4 5739 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)Br)Br 7a_100009814147_200025704644 [0,2,0,0,0,0|2,0,0]=4 5740 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)Br)Cl 34a_100010218075_200025704644 [0,2,0,0,0,0|2,0,0]=4 5741 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)Br)Cl 7a_100010218075_200025704644 [0,2,0,0,0,0|2,0,0]=4 5742 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)F)Br 34a_100010674538_200025704644 [0,2,0,0,0,0|2,0,0]=4 5743 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)F)Br 7a_100010674538_200025704644 [0,2,0,0,0,0|2,0,0]=4 5744 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)F)F 34a_100000068412_200025704644 [0,2,0,0,0,0|2,0,0]=4 5745 B12R1.234 [13CH3]Oc1c(cc(cc1C#N)F)F 7a_100000068412_200025704644 [0,2,0,0,0,0|2,0,0]=4 5746 B12R1.234 [13CH3]Oc1c(cc(cc1CBr)Br)Br 34a_200009814416_200025704644 [0,2,0,0,0,0|2,0,0]=4 5747 B12R1.234 [13CH3]Oc1c(cc(cc1CBr)Br)Br 7a_200009814416_200025704644 [0,2,0,0,0,0|2,0,0]=4 5748 B12R1.234 [13CH3]Oc1c(cc(cc1CO)Cl)Br 34a_100009812756_200025704644 [0,2,0,0,0,0|2,0,0]=4 5749 B12R1.234 [13CH3]Oc1c(cc(cc1CO)Cl)Br 7a_100009812756_200025704644 [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.234 [13CH3]Oc1cc(cc(c1C#N)F)Br 34a_200011156622_200025704644 [0,2,0,0,0,0|2,0,0]=4 5751 B12R1.234 [13CH3]Oc1cc(cc(c1C#N)F)Br 7a_200011156622_200025704644 [0,2,0,0,0,0|2,0,0]=4 5752 B12R1.268 C=C=Cc1cc(ccc1OC)Br 271570a_100015277604_100012351588 [0,2,0,0,0,0|1,0,1]=4 5753 B12R1.268 C=C=Cc1cc(ccc1OC)C 271570a_100015277604_100000186399 [0,2,0,0,0,0|1,0,1]=4 5754 B12R1.268 C=C=Cc1cc(ccc1OC)Cl 271570a_100015277604_100011215930 [0,2,0,0,0,0|1,0,1]=4 5755 B12R1.268 C=C=Cc1cc(ccc1OC)F 271570a_100015277604_100000171694 [0,2,0,0,0,0|1,0,1]=4 5756 B12R1.268 C=C=Cc1cc(ccc1OC)N 271570a_100015277604_100000187427 [0,2,0,0,0,0|1,0,1]=4 5757 B12R1.268 C=C=Cc1cc(ccc1OC)O 271570a_100015277604_100010084122 [0,2,0,0,0,0|1,0,1]=4 5758 B12R1.268 C=Cc1ccc(cc1OCC)C 271570a_100011290941_200010713166 [0,2,0,0,0,0|1,0,1]=4 5759 B12R1.268 C=Cc1ccc(cc1OCC)F 271570a_100011290941_200012340411 [0,2,0,0,0,0|1,0,1]=4 5760 B12R1.268 C=Cc1ccc(cc1OCC)N 271570a_100011290941_200016990551 [0,2,0,0,0,0|1,0,1]=4 5761 B12R1.268 CC=Cc1cc(=O)[nH]cc1OC 271570a_100016259895_100121573661 [0,2,0,0,0,0|2,0,0]=4 5762 B12R1.268 CC=Cc1cc(ccc1NC)C 271570a_100016259895_100000221369 [0,2,0,0,0,0|2,0,0]=4 5763 B12R1.268 CC=Cc1cc(ccc1NC)F 271570a_100016259895_100011246292 [0,2,0,0,0,0|2,0,0]=4 5764 B12R1.268 CC=Cc1cc(ccc1OC)Br 271570a_100016259895_100012351588 [0,2,0,0,0,0|1,0,0]=3 5765 B12R1.268 CC=Cc1cc(ccc1OC)C 271570a_100016259895_100000186399 [0,2,0,0,0,0|1,0,0]=3 5766 B12R1.268 CC=Cc1cc(ccc1OC)Cl 271570a_100016259895_100011215930 [0,2,0,0,0,0|1,0,0]=3 5767 B12R1.268 CC=Cc1cc(ccc1OC)F 271570a_100016259895_100000171694 [0,2,0,0,0,0|1,0,0]=3 5768 B12R1.268 CC=Cc1cc(ccc1OC)N 271570a_100016259895_100000187427 [0,2,0,0,0,0|1,0,0]=3 5769 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [0,2,0,0,0,0|1,0,0]=3 5770 B12R1.268 CC=Cc1cc(ccc1SC)C 271570a_100016259895_200010201864 [0,2,0,0,0,0|1,1,0]=4 5771 B12R1.268 CC=Cc1cc(ccc1SC)F 271570a_100016259895_100009817003 [0,2,0,0,0,0|1,1,0]=4 5772 B12R1.268 CC=Cc1cc(cnc1OC)Br 271570a_100016259895_100009814608 [0,2,0,0,0,0|2,0,0]=4 5773 B12R1.268 CC=Cc1cc(cnc1OC)C 271570a_100016259895_100012353929 [0,2,0,0,0,0|2,0,0]=4 5774 B12R1.268 CC=Cc1cc(cnc1OC)F 271570a_100016259895_100009828472 [0,2,0,0,0,0|2,0,0]=4 5775 B12R1.268 CC=Cc1cc(cnc1OC)N 271570a_100016259895_100012351452 [0,2,0,0,0,0|2,0,0]=4 5776 B12R1.268 CC=Cc1cc(ncc1OC)C 271570a_100016259895_100010109759 [0,2,0,0,0,0|2,0,0]=4 5777 B12R1.268 CC=Cc1nc(ccc1OC)C 271570a_100016259895_100009820875 [0,2,0,0,0,0|2,0,0]=4 5778 B12R1.268 CC=Cc1nc(ccc1OC)N 271570a_100016259895_100010172607 [0,2,0,0,0,0|2,0,0]=4 5779 B12R1.268 CCNc1cc(ccc1CC)Br 2230a_100012354963_100000210202 [0,2,0,0,0,0|2,0,0]=4 5780 B12R1.268 CCNc1cc(ccc1CC)Br 34a_100012354963_100000210202 [0,2,0,0,0,0|2,0,0]=4 5781 B12R1.268 CCNc1cc(ccc1CC)Br 7a_100012354963_100000210202 [0,2,0,0,0,0|2,0,0]=4 5782 B12R1.268 CCNc1cc(ccc1CC)Cl 2230a_200012281948_100000210202 [0,2,0,0,0,0|2,0,0]=4 5783 B12R1.268 CCNc1cc(ccc1CC)Cl 34a_200012281948_100000210202 [0,2,0,0,0,0|2,0,0]=4 5784 B12R1.268 CCNc1cc(ccc1CC)Cl 7a_200012281948_100000210202 [0,2,0,0,0,0|2,0,0]=4 5785 B12R1.268 CCNc1cc(ccc1OC)Br 34a_100000743470_100000210202 [0,2,0,0,0,0|1,0,0]=3 5786 B12R1.268 CCNc1cc(ccc1OC)C 2230a_100000210980_100000210202 [0,2,0,0,0,0|1,0,0]=3 5787 B12R1.268 CCNc1cc(ccc1OC)C 34a_100000210980_100000210202 [0,2,0,0,0,0|1,0,0]=3 5788 B12R1.268 CCNc1cc(ccc1OC)Cl 34a_100000182114_100000210202 [0,2,0,0,0,0|1,0,0]=3 5789 B12R1.268 CCNc1cc(ccc1OC)F 34a_100000757179_100000210202 [0,2,0,0,0,0|1,0,0]=3 5790 B12R1.268 CCNc1cc(ccc1SC)Cl 34a_100000745667_100000210202 [0,2,0,0,0,0|1,1,0]=4 5791 B12R1.268 CCOc1cc(ccc1C#N)Br 34a_100011934713_100000210202 [0,2,0,0,0,0|2,0,0]=4 5792 B12R1.268 CCOc1cc(ccc1C#N)Br 7a_100011934713_100000210202 [0,2,0,0,0,0|2,0,0]=4 5793 B12R1.268 CCOc1cc(ccc1C#N)C 34a_100011640519_100000210202 [0,2,0,0,0,0|2,0,0]=4 5794 B12R1.268 CCOc1cc(ccc1C#N)C 7a_100011640519_100000210202 [0,2,0,0,0,0|2,0,0]=4 5795 B12R1.268 CCOc1cc(ccc1C#N)Cl 34a_100000688488_100000210202 [0,2,0,0,0,0|2,0,0]=4 5796 B12R1.268 CCOc1cc(ccc1C#N)Cl 7a_100000688488_100000210202 [0,2,0,0,0,0|2,0,0]=4 5797 B12R1.268 CCOc1cc(ccc1C#N)F 34a_100012185923_100000210202 [0,2,0,0,0,0|2,0,0]=4 5798 B12R1.268 CCOc1cc(ccc1C#N)F 7a_100012185923_100000210202 [0,2,0,0,0,0|2,0,0]=4 5799 B12R1.268 CCOc1cc(ccc1C#N)N 34a_100000094571_100000210202 [0,2,0,0,0,0|2,0,0]=4 5800 B12R1.268 CCOc1cc(ccc1C#N)N 7a_100000094571_100000210202 [0,2,0,0,0,0|2,0,0]=4 5801 B12R1.268 CCOc1cc(ccc1C#N)O 271570a_203496583355_100013120067 [0,2,0,0,0,0|2,0,0]=4 5802 B12R1.268 CCOc1cc(ccc1CO)Br 34a_100000071718_100000210202 [0,2,0,0,0,0|2,0,0]=4 5803 B12R1.268 CCOc1cc(ccc1CO)Br 7a_100000071718_100000210202 [0,2,0,0,0,0|2,0,0]=4 5804 B12R1.268 CCOc1cc(ccc1NC)Br 2230a_100000688918_200000210301 [0,2,0,0,0,0|1,0,0]=3 5805 B12R1.268 CCOc1cc(ccc1NC)Br 34a_100000688918_200000210301 [0,2,0,0,0,0|1,0,0]=3 5806 B12R1.268 CCOc1cc(ccc1NC)C 2230a_100000742043_200000210301 [0,2,0,0,0,0|1,0,0]=3 5807 B12R1.268 CCOc1cc(ccc1NC)C 34a_100000742043_200000210301 [0,2,0,0,0,0|1,0,0]=3 5808 B12R1.268 CCOc1cc(ccc1NC)Cl 34a_100000687649_200000210301 [0,2,0,0,0,0|1,0,0]=3 5809 B12R1.268 CCOc1cc(ccc1NC)F 2230a_100000741351_200000210301 [0,2,0,0,0,0|1,0,0]=3 5810 B12R1.268 CCOc1cc(ccc1NC)F 34a_100000741351_200000210301 [0,2,0,0,0,0|1,0,0]=3 5811 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 2230a_100000688918_200025704644 [0,2,0,0,0,0|1,0,0]=3 5812 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 34a_100000688918_200025704644 [0,2,0,0,0,0|1,0,0]=3 5813 B12R1.268 CCOc1cc(ccc1N[13CH3])C 2230a_100000742043_200025704644 [0,2,0,0,0,0|1,0,0]=3 5814 B12R1.268 CCOc1cc(ccc1N[13CH3])C 34a_100000742043_200025704644 [0,2,0,0,0,0|1,0,0]=3 5815 B12R1.268 CCOc1cc(ccc1N[13CH3])Cl 34a_100000687649_200025704644 [0,2,0,0,0,0|1,0,0]=3 5816 B12R1.268 CCOc1cc(ccc1N[13CH3])F 2230a_100000741351_200025704644 [0,2,0,0,0,0|1,0,0]=3 5817 B12R1.268 CCOc1cc(ccc1N[13CH3])F 34a_100000741351_200025704644 [0,2,0,0,0,0|1,0,0]=3 5818 B12R1.268 CCOc1cc(ccc1OC)Br 34a_100009816560_100000210202 [0,2,0,0,0,0|0,0,0]=2 5819 B12R1.268 CCOc1cc(ccc1OC)Br 7a_100009816560_100000210202 [0,2,0,0,0,0|0,0,0]=2 5820 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [0,2,0,0,0,0|0,0,0]=2 5821 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [0,2,0,0,0,0|0,0,0]=2 5822 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [0,2,0,0,0,0|0,0,0]=2 5823 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [0,2,0,0,0,0|0,0,0]=2 5824 B12R1.268 CCOc1cc(ccc1OC)Cl 34a_100000101779_100000210202 [0,2,0,0,0,0|0,0,0]=2 5825 B12R1.268 CCOc1cc(ccc1OC)Cl 7a_100000101779_100000210202 [0,2,0,0,0,0|0,0,0]=2 5826 B12R1.268 CCOc1cc(ccc1OC)F 34a_100000034962_100000210202 [0,2,0,0,0,0|0,0,0]=2 5827 B12R1.268 CCOc1cc(ccc1OC)F 7a_100000034962_100000210202 [0,2,0,0,0,0|0,0,0]=2 5828 B12R1.268 CCOc1cc(ccc1OC)N 34a_100000211920_100000210202 [0,2,0,0,0,0|0,0,0]=2 5829 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [0,2,0,0,0,0|0,0,0]=2 5830 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [0,2,0,0,0,0|0,0,0]=2 5831 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [0,2,0,0,0,0|0,0,0]=2 5832 B12R1.268 CCOc1cc(ccc1SC)C 62a_200000210301_200010713166 [0,2,0,0,0,0|0,1,0]=3 5833 B12R1.268 CCOc1cc(ccc1SC)C 62a_200010713166_200000210301 [0,2,0,0,0,0|0,1,0]=3 5834 B12R1.268 CCOc1cc(ccc1SC)F 62a_200000210301_200012340411 [0,2,0,0,0,0|0,1,0]=3 5835 B12R1.268 CCOc1cc(ccc1SC)F 62a_200012340411_200000210301 [0,2,0,0,0,0|0,1,0]=3 5836 B12R1.268 CCOc1cc(ccc1SC)N 62a_200000210301_200016990551 [0,2,0,0,0,0|0,1,0]=3 5837 B12R1.268 CCOc1cc(ccc1SC)N 62a_200016990551_200000210301 [0,2,0,0,0,0|0,1,0]=3 5838 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200010713166_200025704644 [0,2,0,0,0,0|0,1,0]=3 5839 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200025704644_200010713166 [0,2,0,0,0,0|0,1,0]=3 5840 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200012340411_200025704644 [0,2,0,0,0,0|0,1,0]=3 5841 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012340411 [0,2,0,0,0,0|0,1,0]=3 5842 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200016990551_200025704644 [0,2,0,0,0,0|0,1,0]=3 5843 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200025704644_200016990551 [0,2,0,0,0,0|0,1,0]=3 5844 B12R1.268 CCOc1cc(cnc1OC)Br 34a_100010135713_100000210202 [0,2,0,0,0,0|1,0,0]=3 5845 B12R1.268 CCOc1cc(ncc1OC)Br 34a_100010264082_100000210202 [0,2,0,0,0,0|1,0,0]=3 5846 B12R1.268 CCOc1cc(ncc1OC)Cl 34a_100009849459_100000210202 [0,2,0,0,0,0|1,0,0]=3 5847 B12R1.268 CCOc1nc(ncc1OC)O 271570a_203496583355_200010280453 [0,2,0,0,0,0|2,0,0]=4 5848 B12R1.268 CCSc1cc(=O)[nH]cc1OC 62a_100000210202_100121573661 [0,2,0,0,0,0|1,1,0]=4 5849 B12R1.268 CCSc1cc(=O)[nH]cc1OC 62a_100121573661_100000210202 [0,2,0,0,0,0|1,1,0]=4 5850 B12R1.268 CCSc1cc(ccc1NC)C 62a_100000210202_100000221369 [0,2,0,0,0,0|1,1,0]=4 5851 B12R1.268 CCSc1cc(ccc1NC)C 62a_100000221369_100000210202 [0,2,0,0,0,0|1,1,0]=4 5852 B12R1.268 CCSc1cc(ccc1NC)F 62a_100000210202_100011246292 [0,2,0,0,0,0|1,1,0]=4 5853 B12R1.268 CCSc1cc(ccc1NC)F 62a_100011246292_100000210202 [0,2,0,0,0,0|1,1,0]=4 5854 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100000210202_100012351588 [0,2,0,0,0,0|0,1,0]=3 5855 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100012351588_100000210202 [0,2,0,0,0,0|0,1,0]=3 5856 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000186399_100000210202 [0,2,0,0,0,0|0,1,0]=3 5857 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000210202_100000186399 [0,2,0,0,0,0|0,1,0]=3 5858 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100000210202_100011215930 [0,2,0,0,0,0|0,1,0]=3 5859 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100011215930_100000210202 [0,2,0,0,0,0|0,1,0]=3 5860 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000171694_100000210202 [0,2,0,0,0,0|0,1,0]=3 5861 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000210202_100000171694 [0,2,0,0,0,0|0,1,0]=3 5862 B12R1.268 CCSc1cc(ccc1OC)N 62a_100000210202_100011356947 [0,2,0,0,0,0|0,1,0]=3 5863 B12R1.268 CCSc1cc(ccc1OC)N 62a_100011356947_100000210202 [0,2,0,0,0,0|0,1,0]=3 5864 B12R1.268 CCSc1cc(ccc1OC)O 62a_100000210202_100010234764 [0,2,0,0,0,0|0,1,0]=3 5865 B12R1.268 CCSc1cc(ccc1OC)O 62a_100010234764_100000210202 [0,2,0,0,0,0|0,1,0]=3 5866 B12R1.268 CCSc1cc(ccc1SC)C 62a_100000210202_200010201864 [0,2,0,0,0,0|0,2,0]=4 5867 B12R1.268 CCSc1cc(ccc1SC)C 62a_200010201864_100000210202 [0,2,0,0,0,0|0,2,0]=4 5868 B12R1.268 CCSc1cc(ccc1SC)F 62a_100000210202_100009817003 [0,2,0,0,0,0|0,2,0]=4 5869 B12R1.268 CCSc1cc(ccc1SC)F 62a_100009817003_100000210202 [0,2,0,0,0,0|0,2,0]=4 5870 B12R1.268 CCSc1cc(cnc1OC)Br 62a_100000210202_100009814608 [0,2,0,0,0,0|1,1,0]=4 5871 B12R1.268 CCSc1cc(cnc1OC)Br 62a_100009814608_100000210202 [0,2,0,0,0,0|1,1,0]=4 5872 B12R1.268 CCSc1cc(cnc1OC)C 62a_100000210202_100012353929 [0,2,0,0,0,0|1,1,0]=4 5873 B12R1.268 CCSc1cc(cnc1OC)C 62a_100012353929_100000210202 [0,2,0,0,0,0|1,1,0]=4 5874 B12R1.268 CCSc1cc(cnc1OC)F 62a_100000210202_100009828472 [0,2,0,0,0,0|1,1,0]=4 5875 B12R1.268 CCSc1cc(cnc1OC)F 62a_100009828472_100000210202 [0,2,0,0,0,0|1,1,0]=4 5876 B12R1.268 CCSc1cc(cnc1OC)N 62a_100000210202_100012351452 [0,2,0,0,0,0|1,1,0]=4 5877 B12R1.268 CCSc1cc(cnc1OC)N 62a_100012351452_100000210202 [0,2,0,0,0,0|1,1,0]=4 5878 B12R1.268 CCSc1cc(ncc1OC)C 62a_100000210202_100010109759 [0,2,0,0,0,0|1,1,0]=4 5879 B12R1.268 CCSc1cc(ncc1OC)C 62a_100010109759_100000210202 [0,2,0,0,0,0|1,1,0]=4 5880 B12R1.268 CCSc1nc(ccc1OC)C 62a_100000210202_100009820875 [0,2,0,0,0,0|1,1,0]=4 5881 B12R1.268 CCSc1nc(ccc1OC)C 62a_100009820875_100000210202 [0,2,0,0,0,0|1,1,0]=4 5882 B12R1.268 CCSc1nc(ccc1OC)N 62a_100000210202_100010172607 [0,2,0,0,0,0|1,1,0]=4 5883 B12R1.268 CCSc1nc(ccc1OC)N 62a_100010172607_100000210202 [0,2,0,0,0,0|1,1,0]=4 5884 B12R1.268 CCc1ccc(cc1COC)Br 34a_100010766240_200000210301 [0,2,0,0,0,0|1,0,0]=3 5885 B12R1.268 CCc1ccc(cc1COC)Br 7a_100010766240_200000210301 [0,2,0,0,0,0|1,0,0]=3 5886 B12R1.268 CCc1ccc(cc1CO[13CH3])Br 34a_100010766240_200025704644 [0,2,0,0,0,0|1,0,0]=3 5887 B12R1.268 CCc1ccc(cc1CO[13CH3])Br 7a_100010766240_200025704644 [0,2,0,0,0,0|1,0,0]=3 5888 B12R1.268 CCc1ccc(cc1NCF)Br 34a_100012354963_100015361967 [0,2,0,0,0,0|2,0,0]=4 5889 B12R1.268 CCc1ccc(cc1NCF)Br 7a_100012354963_100015361967 [0,2,0,0,0,0|2,0,0]=4 5890 B12R1.268 CCc1ccc(cc1NCF)Cl 34a_200012281948_100015361967 [0,2,0,0,0,0|2,0,0]=4 5891 B12R1.268 CCc1ccc(cc1NCF)Cl 7a_200012281948_100015361967 [0,2,0,0,0,0|2,0,0]=4 5892 B12R1.268 CNCc1cc(ccc1OC)Br 207a_100102657272_100000170026 [0,2,0,0,0,0|1,0,0]=3 5893 B12R1.268 CNCc1cc(ccc1OC)Br 2230a_106832991635_100000204665 [0,2,0,0,0,0|1,0,0]=3 5894 B12R1.268 CNCc1cc(ccc1OC)Br 26a_100102657272_100009816560 [0,2,0,0,0,0|1,0,0]=3 5895 B12R1.268 CNCc1cc(ccc1OC)Br 270004a_106832991635_100000170026 [0,2,0,0,0,0|1,0,0]=3 5896 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100000690498_200000210301 [0,2,0,0,0,0|1,0,0]=3 5897 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100011602694_200000210301 [0,2,0,0,0,0|1,0,0]=3 5898 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100102657272_100000204665 [0,2,0,0,0,0|1,0,0]=3 5899 B12R1.268 CNCc1cc(ccc1OC)Br 7a_106832991635_100000204665 [0,2,0,0,0,0|1,0,0]=3 5900 B12R1.268 CNCc1cc(ccc1OC)C 207a_100102657272_100000203738 [0,2,0,0,0,0|1,0,0]=3 5901 B12R1.268 CNCc1cc(ccc1OC)C 2230a_106832991635_100000199068 [0,2,0,0,0,0|1,0,0]=3 5902 B12R1.268 CNCc1cc(ccc1OC)C 270004a_106832991635_100000203738 [0,2,0,0,0,0|1,0,0]=3 5903 B12R1.268 CNCc1cc(ccc1OC)C 34a_100102657272_100000199068 [0,2,0,0,0,0|1,0,0]=3 5904 B12R1.268 CNCc1cc(ccc1OC)C 7a_106832991635_100000199068 [0,2,0,0,0,0|1,0,0]=3 5905 B12R1.268 CNCc1cc(ccc1OC)Cl 207a_100102657272_100000188328 [0,2,0,0,0,0|1,0,0]=3 5906 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_100000740580_200000210301 [0,2,0,0,0,0|1,0,0]=3 5907 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_106832991635_100000209806 [0,2,0,0,0,0|1,0,0]=3 5908 B12R1.268 CNCc1cc(ccc1OC)Cl 270004a_106832991635_100000188328 [0,2,0,0,0,0|1,0,0]=3 5909 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000712467_200000210301 [0,2,0,0,0,0|1,0,0]=3 5910 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000740580_200000210301 [0,2,0,0,0,0|1,0,0]=3 5911 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100102657272_100000209806 [0,2,0,0,0,0|1,0,0]=3 5912 B12R1.268 CNCc1cc(ccc1OC)Cl 7a_106832991635_100000209806 [0,2,0,0,0,0|1,0,0]=3 5913 B12R1.268 CNCc1cc(ccc1OC)F 207a_100102657272_100000722865 [0,2,0,0,0,0|1,0,0]=3 5914 B12R1.268 CNCc1cc(ccc1OC)F 2230a_106832991635_100011830354 [0,2,0,0,0,0|1,0,0]=3 5915 B12R1.268 CNCc1cc(ccc1OC)F 270004a_106832991635_100000722865 [0,2,0,0,0,0|1,0,0]=3 5916 B12R1.268 CNCc1cc(ccc1OC)F 34a_100011199032_200000210301 [0,2,0,0,0,0|1,0,0]=3 5917 B12R1.268 CNCc1cc(ccc1OC)F 34a_100102657272_100011830354 [0,2,0,0,0,0|1,0,0]=3 5918 B12R1.268 CNCc1cc(ccc1OC)F 34a_114855342409_200000210301 [0,2,0,0,0,0|1,0,0]=3 5919 B12R1.268 CNCc1cc(ccc1OC)F 7a_106832991635_100011830354 [0,2,0,0,0,0|1,0,0]=3 5920 B12R1.268 CNCc1cc(ccc1OC)I 207a_100102657272_100011266407 [0,2,0,0,0,0|1,0,0]=3 5921 B12R1.268 CNCc1cc(ccc1OC)I 270004a_106832991635_100011266407 [0,2,0,0,0,0|1,0,0]=3 5922 B12R1.268 CNCc1cc(ccc1OC)O 207a_100102657272_100000067581 [0,2,0,0,0,0|1,0,0]=3 5923 B12R1.268 CNCc1cc(ccc1OC)O 271570a_203496583355_100000690607 [0,2,0,0,0,0|1,0,0]=3 5924 B12R1.268 CNCc1cc(ccc1O[13CH3])Br 34a_100011602694_200025704644 [0,2,0,0,0,0|1,0,0]=3 5925 B12R1.268 CNCc1cc(ccc1O[13CH3])Cl 34a_100000712467_200025704644 [0,2,0,0,0,0|1,0,0]=3 5926 B12R1.268 CNCc1cc(ccc1O[13CH3])F 34a_114855342409_200025704644 [0,2,0,0,0,0|1,0,0]=3 5927 B12R1.268 CNCc1cc(cnc1OC)Br 207a_100102657272_100009814609 [0,2,0,0,0,0|2,0,0]=4 5928 B12R1.268 CNCc1cc(cnc1OC)Br 2230a_106832991635_100010065838 [0,2,0,0,0,0|2,0,0]=4 5929 B12R1.268 CNCc1cc(cnc1OC)Br 270004a_106832991635_100009814609 [0,2,0,0,0,0|2,0,0]=4 5930 B12R1.268 CNCc1cc(cnc1OC)Br 34a_100102657272_100010065838 [0,2,0,0,0,0|2,0,0]=4 5931 B12R1.268 CNCc1cc(cnc1OC)Br 7a_106832991635_100010065838 [0,2,0,0,0,0|2,0,0]=4 5932 B12R1.268 CNCc1cc(cnc1OC)C 207a_100102657272_100000118322 [0,2,0,0,0,0|2,0,0]=4 5933 B12R1.268 CNCc1cc(cnc1OC)C 270004a_106832991635_100000118322 [0,2,0,0,0,0|2,0,0]=4 5934 B12R1.268 CNCc1cc(cnc1OC)F 207a_100102657272_100000081817 [0,2,0,0,0,0|2,0,0]=4 5935 B12R1.268 CNCc1cc(cnc1OC)F 270004a_106832991635_100000081817 [0,2,0,0,0,0|2,0,0]=4 5936 B12R1.268 CNCc1nc(ccc1OC)Br 270004a_106832991635_200010137984 [0,2,0,0,0,0|2,0,0]=4 5937 B12R1.268 CNc1ccc(cc1SCF)C 62a_100000221369_100015361967 [0,2,0,0,0,0|1,1,0]=4 5938 B12R1.268 CNc1ccc(cc1SCF)C 62a_100015361967_100000221369 [0,2,0,0,0,0|1,1,0]=4 5939 B12R1.268 CNc1ccc(cc1SCF)F 62a_100011246292_100015361967 [0,2,0,0,0,0|1,1,0]=4 5940 B12R1.268 CNc1ccc(cc1SCF)F 62a_100015361967_100011246292 [0,2,0,0,0,0|1,1,0]=4 5941 B12R1.268 COCc1cc(ccc1C#N)Br 34a_100138415774_100000718229 [0,2,0,0,0,0|2,0,0]=4 5942 B12R1.268 COCc1cc(ccc1C#N)F 34a_100138415774_100000759424 [0,2,0,0,0,0|2,0,0]=4 5943 B12R1.268 COCc1cc(ccc1C#N)F 34a_200011935090_200000210301 [0,2,0,0,0,0|2,0,0]=4 5944 B12R1.268 COCc1cc(ccc1C#N)F 7a_200011935090_200000210301 [0,2,0,0,0,0|2,0,0]=4 5945 B12R1.268 COCc1cc(ccc1C=O)F 34a_100138415774_100010132768 [0,2,0,0,0,0|2,0,0]=4 5946 B12R1.268 COCc1cc(ccc1OC)Br 34a_100000204679_200000210301 [0,2,0,0,0,0|0,0,0]=2 5947 B12R1.268 COCc1cc(ccc1OC)Br 34a_100138415774_100000204665 [0,2,0,0,0,0|0,0,0]=2 5948 B12R1.268 COCc1cc(ccc1OC)Br 7a_100000204679_200000210301 [0,2,0,0,0,0|0,0,0]=2 5949 B12R1.268 COCc1cc(ccc1OC)C 34a_100138415774_100000199068 [0,2,0,0,0,0|0,0,0]=2 5950 B12R1.268 COCc1cc(ccc1OC)C 34a_200000246444_200000210301 [0,2,0,0,0,0|0,0,0]=2 5951 B12R1.268 COCc1cc(ccc1OC)C 7a_200000246444_200000210301 [0,2,0,0,0,0|0,0,0]=2 5952 B12R1.268 COCc1cc(ccc1OC)Cl 34a_100138415774_100000209806 [0,2,0,0,0,0|0,0,0]=2 5953 B12R1.268 COCc1cc(ccc1OC)F 34a_100011266440_200000210301 [0,2,0,0,0,0|0,0,0]=2 5954 B12R1.268 COCc1cc(ccc1OC)F 34a_100135391359_200000210301 [0,2,0,0,0,0|0,0,0]=2 5955 B12R1.268 COCc1cc(ccc1OC)F 34a_100138415774_100011830354 [0,2,0,0,0,0|0,0,0]=2 5956 B12R1.268 COCc1cc(ccc1OC)F 7a_100011266440_200000210301 [0,2,0,0,0,0|0,0,0]=2 5957 B12R1.268 COCc1cc(ccc1OC)F 7a_100135391359_200000210301 [0,2,0,0,0,0|0,0,0]=2 5958 B12R1.268 COCc1cc(ccc1OC)I 34a_200137411115_200000210301 [0,2,0,0,0,0|0,0,0]=2 5959 B12R1.268 COCc1cc(ccc1OC)I 7a_200137411115_200000210301 [0,2,0,0,0,0|0,0,0]=2 5960 B12R1.268 COCc1cc(ccc1OC)O 271570a_203496583355_200011493686 [0,2,0,0,0,0|0,0,0]=2 5961 B12R1.268 COCc1cc(ccc1O[13CH3])F 34a_100135391359_200025704644 [0,2,0,0,0,0|0,0,0]=2 5962 B12R1.268 COCc1cc(ccc1O[13CH3])F 7a_100135391359_200025704644 [0,2,0,0,0,0|0,0,0]=2 5963 B12R1.268 COCc1cc(cnc1OC)Br 34a_100000695684_200000210301 [0,2,0,0,0,0|1,0,0]=3 5964 B12R1.268 COCc1cc(cnc1OC)Br 34a_100138415774_100010065838 [0,2,0,0,0,0|1,0,0]=3 5965 B12R1.268 COCc1cc(cnc1OC)F 34a_100011997213_200000210301 [0,2,0,0,0,0|1,0,0]=3 5966 B12R1.268 COc1c[nH]c(=O)cc1SCF 62a_100015361967_100121573661 [0,2,0,0,0,0|1,1,0]=4 5967 B12R1.268 COc1c[nH]c(=O)cc1SCF 62a_100121573661_100015361967 [0,2,0,0,0,0|1,1,0]=4 5968 B12R1.268 COc1ccc(cc1CC#N)O 271570a_203496583355_200011218486 [0,2,0,0,0,0|1,0,1]=4 5969 B12R1.268 COc1ccc(cc1CCN)O 271570a_203496583355_100000763266 [0,2,0,0,0,0|1,0,0]=3 5970 B12R1.268 COc1ccc(cc1CN[13CH3])Br 34a_100000690498_200025704644 [0,2,0,0,0,0|1,0,0]=3 5971 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 2230a_100000740580_200025704644 [0,2,0,0,0,0|1,0,0]=3 5972 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 34a_100000740580_200025704644 [0,2,0,0,0,0|1,0,0]=3 5973 B12R1.268 COc1ccc(cc1CN[13CH3])F 34a_100011199032_200025704644 [0,2,0,0,0,0|1,0,0]=3 5974 B12R1.268 COc1ccc(cc1CO[13CH3])Br 34a_100000204679_200025704644 [0,2,0,0,0,0|0,0,0]=2 5975 B12R1.268 COc1ccc(cc1CO[13CH3])Br 7a_100000204679_200025704644 [0,2,0,0,0,0|0,0,0]=2 5976 B12R1.268 COc1ccc(cc1CO[13CH3])C 34a_200000246444_200025704644 [0,2,0,0,0,0|0,0,0]=2 5977 B12R1.268 COc1ccc(cc1CO[13CH3])C 7a_200000246444_200025704644 [0,2,0,0,0,0|0,0,0]=2 5978 B12R1.268 COc1ccc(cc1CO[13CH3])F 34a_100011266440_200025704644 [0,2,0,0,0,0|0,0,0]=2 5979 B12R1.268 COc1ccc(cc1CO[13CH3])F 7a_100011266440_200025704644 [0,2,0,0,0,0|0,0,0]=2 5980 B12R1.268 COc1ccc(cc1CO[13CH3])I 34a_200137411115_200025704644 [0,2,0,0,0,0|0,0,0]=2 5981 B12R1.268 COc1ccc(cc1CO[13CH3])I 7a_200137411115_200025704644 [0,2,0,0,0,0|0,0,0]=2 5982 B12R1.268 COc1ccc(cc1CSC)Br 62a_100000204665_200000210301 [0,2,0,0,0,0|0,1,0]=3 5983 B12R1.268 COc1ccc(cc1CSC)Br 62a_200000210301_100000204665 [0,2,0,0,0,0|0,1,0]=3 5984 B12R1.268 COc1ccc(cc1CSC)C 62a_100000199068_200000210301 [0,2,0,0,0,0|0,1,0]=3 5985 B12R1.268 COc1ccc(cc1CSC)C 62a_200000210301_100000199068 [0,2,0,0,0,0|0,1,0]=3 5986 B12R1.268 COc1ccc(cc1CSC)Cl 62a_100000209806_200000210301 [0,2,0,0,0,0|0,1,0]=3 5987 B12R1.268 COc1ccc(cc1CSC)Cl 62a_200000210301_100000209806 [0,2,0,0,0,0|0,1,0]=3 5988 B12R1.268 COc1ccc(cc1CSC)F 62a_100011830354_200000210301 [0,2,0,0,0,0|0,1,0]=3 5989 B12R1.268 COc1ccc(cc1CSC)F 62a_200000210301_100011830354 [0,2,0,0,0,0|0,1,0]=3 5990 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_100000204665_200025704644 [0,2,0,0,0,0|0,1,0]=3 5991 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_200025704644_100000204665 [0,2,0,0,0,0|0,1,0]=3 5992 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_100000199068_200025704644 [0,2,0,0,0,0|0,1,0]=3 5993 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_200025704644_100000199068 [0,2,0,0,0,0|0,1,0]=3 5994 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_100000209806_200025704644 [0,2,0,0,0,0|0,1,0]=3 5995 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_200025704644_100000209806 [0,2,0,0,0,0|0,1,0]=3 5996 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_100011830354_200025704644 [0,2,0,0,0,0|0,1,0]=3 5997 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_200025704644_100011830354 [0,2,0,0,0,0|0,1,0]=3 5998 B12R1.268 COc1ccc(cc1NCF)Br 34a_100000743470_100015361967 [0,2,0,0,0,0|1,0,0]=3 5999 B12R1.268 COc1ccc(cc1NCF)C 34a_100000210980_100015361967 [0,2,0,0,0,0|1,0,0]=3 6000 B12R1.268 COc1ccc(cc1NCF)Cl 34a_100000182114_100015361967 [0,2,0,0,0,0|1,0,0]=3 6001 B12R1.268 COc1ccc(cc1NCF)F 34a_100000757179_100015361967 [0,2,0,0,0,0|1,0,0]=3 6002 B12R1.268 COc1ccc(cc1OCF)Br 34a_100009816560_100015361967 [0,2,0,0,0,0|0,0,0]=2 6003 B12R1.268 COc1ccc(cc1OCF)Br 7a_100009816560_100015361967 [0,2,0,0,0,0|0,0,0]=2 6004 B12R1.268 COc1ccc(cc1OCF)C 34a_100011216497_100015361967 [0,2,0,0,0,0|0,0,0]=2 6005 B12R1.268 COc1ccc(cc1OCF)C 7a_100011216497_100015361967 [0,2,0,0,0,0|0,0,0]=2 6006 B12R1.268 COc1ccc(cc1OCF)Cl 34a_100000101779_100015361967 [0,2,0,0,0,0|0,0,0]=2 6007 B12R1.268 COc1ccc(cc1OCF)Cl 7a_100000101779_100015361967 [0,2,0,0,0,0|0,0,0]=2 6008 B12R1.268 COc1ccc(cc1OCF)F 34a_100000034962_100015361967 [0,2,0,0,0,0|0,0,0]=2 6009 B12R1.268 COc1ccc(cc1OCF)F 7a_100000034962_100015361967 [0,2,0,0,0,0|0,0,0]=2 6010 B12R1.268 COc1ccc(cc1OCF)N 34a_100000211920_100015361967 [0,2,0,0,0,0|0,0,0]=2 6011 B12R1.268 COc1ccc(cc1SCF)Br 62a_100012351588_100015361967 [0,2,0,0,0,0|0,1,0]=3 6012 B12R1.268 COc1ccc(cc1SCF)Br 62a_100015361967_100012351588 [0,2,0,0,0,0|0,1,0]=3 6013 B12R1.268 COc1ccc(cc1SCF)C 62a_100000186399_100015361967 [0,2,0,0,0,0|0,1,0]=3 6014 B12R1.268 COc1ccc(cc1SCF)C 62a_100015361967_100000186399 [0,2,0,0,0,0|0,1,0]=3 6015 B12R1.268 COc1ccc(cc1SCF)Cl 62a_100011215930_100015361967 [0,2,0,0,0,0|0,1,0]=3 6016 B12R1.268 COc1ccc(cc1SCF)Cl 62a_100015361967_100011215930 [0,2,0,0,0,0|0,1,0]=3 6017 B12R1.268 COc1ccc(cc1SCF)F 62a_100000171694_100015361967 [0,2,0,0,0,0|0,1,0]=3 6018 B12R1.268 COc1ccc(cc1SCF)F 62a_100015361967_100000171694 [0,2,0,0,0,0|0,1,0]=3 6019 B12R1.268 COc1ccc(cc1SCF)N 62a_100011356947_100015361967 [0,2,0,0,0,0|0,1,0]=3 6020 B12R1.268 COc1ccc(cc1SCF)N 62a_100015361967_100011356947 [0,2,0,0,0,0|0,1,0]=3 6021 B12R1.268 COc1ccc(cc1SCF)O 62a_100010234764_100015361967 [0,2,0,0,0,0|0,1,0]=3 6022 B12R1.268 COc1ccc(cc1SCF)O 62a_100015361967_100010234764 [0,2,0,0,0,0|0,1,0]=3 6023 B12R1.268 COc1ccc(nc1SCF)C 62a_100009820875_100015361967 [0,2,0,0,0,0|1,1,0]=4 6024 B12R1.268 COc1ccc(nc1SCF)C 62a_100015361967_100009820875 [0,2,0,0,0,0|1,1,0]=4 6025 B12R1.268 COc1ccc(nc1SCF)N 62a_100010172607_100015361967 [0,2,0,0,0,0|1,1,0]=4 6026 B12R1.268 COc1ccc(nc1SCF)N 62a_100015361967_100010172607 [0,2,0,0,0,0|1,1,0]=4 6027 B12R1.268 COc1cnc(cc1OCF)Br 34a_100010264082_100015361967 [0,2,0,0,0,0|1,0,0]=3 6028 B12R1.268 COc1cnc(cc1OCF)Cl 34a_100009849459_100015361967 [0,2,0,0,0,0|1,0,0]=3 6029 B12R1.268 COc1cnc(cc1SCF)C 62a_100010109759_100015361967 [0,2,0,0,0,0|1,1,0]=4 6030 B12R1.268 COc1cnc(cc1SCF)C 62a_100015361967_100010109759 [0,2,0,0,0,0|1,1,0]=4 6031 B12R1.268 COc1ncc(cc1CO[13CH3])Br 34a_100000695684_200025704644 [0,2,0,0,0,0|1,0,0]=3 6032 B12R1.268 COc1ncc(cc1CO[13CH3])F 34a_100011997213_200025704644 [0,2,0,0,0,0|1,0,0]=3 6033 B12R1.268 COc1ncc(cc1CSC)Br 62a_100010065838_200000210301 [0,2,0,0,0,0|1,1,0]=4 6034 B12R1.268 COc1ncc(cc1CSC)Br 62a_200000210301_100010065838 [0,2,0,0,0,0|1,1,0]=4 6035 B12R1.268 COc1ncc(cc1CS[13CH3])Br 62a_100010065838_200025704644 [0,2,0,0,0,0|1,1,0]=4 6036 B12R1.268 COc1ncc(cc1CS[13CH3])Br 62a_200025704644_100010065838 [0,2,0,0,0,0|1,1,0]=4 6037 B12R1.268 COc1ncc(cc1OCF)Br 34a_100010135713_100015361967 [0,2,0,0,0,0|1,0,0]=3 6038 B12R1.268 COc1ncc(cc1SCF)Br 62a_100009814608_100015361967 [0,2,0,0,0,0|1,1,0]=4 6039 B12R1.268 COc1ncc(cc1SCF)Br 62a_100015361967_100009814608 [0,2,0,0,0,0|1,1,0]=4 6040 B12R1.268 COc1ncc(cc1SCF)C 62a_100012353929_100015361967 [0,2,0,0,0,0|1,1,0]=4 6041 B12R1.268 COc1ncc(cc1SCF)C 62a_100015361967_100012353929 [0,2,0,0,0,0|1,1,0]=4 6042 B12R1.268 COc1ncc(cc1SCF)F 62a_100009828472_100015361967 [0,2,0,0,0,0|1,1,0]=4 6043 B12R1.268 COc1ncc(cc1SCF)F 62a_100015361967_100009828472 [0,2,0,0,0,0|1,1,0]=4 6044 B12R1.268 COc1ncc(cc1SCF)N 62a_100012351452_100015361967 [0,2,0,0,0,0|1,1,0]=4 6045 B12R1.268 COc1ncc(cc1SCF)N 62a_100015361967_100012351452 [0,2,0,0,0,0|1,1,0]=4 6046 B12R1.268 CSc1ccc(cc1NCF)Cl 34a_100000745667_100015361967 [0,2,0,0,0,0|1,1,0]=4 6047 B12R1.268 CSc1ccc(cc1SCF)C 62a_100015361967_200010201864 [0,2,0,0,0,0|0,2,0]=4 6048 B12R1.268 CSc1ccc(cc1SCF)C 62a_200010201864_100015361967 [0,2,0,0,0,0|0,2,0]=4 6049 B12R1.268 CSc1ccc(cc1SCF)F 62a_100009817003_100015361967 [0,2,0,0,0,0|0,2,0]=4 6050 B12R1.268 CSc1ccc(cc1SCF)F 62a_100015361967_100009817003 [0,2,0,0,0,0|0,2,0]=4 6051 B12R1.268 Cc1ccc(c(c1)OCF)C#N 34a_100011640519_100015361967 [0,2,0,0,0,0|2,0,0]=4 6052 B12R1.268 Cc1ccc(c(c1)OCF)C#N 7a_100011640519_100015361967 [0,2,0,0,0,0|2,0,0]=4 6053 B12R1.268 N#Cc1ccc(cc1OCF)Br 34a_100011934713_100015361967 [0,2,0,0,0,0|2,0,0]=4 6054 B12R1.268 N#Cc1ccc(cc1OCF)Br 7a_100011934713_100015361967 [0,2,0,0,0,0|2,0,0]=4 6055 B12R1.268 N#Cc1ccc(cc1OCF)Cl 34a_100000688488_100015361967 [0,2,0,0,0,0|2,0,0]=4 6056 B12R1.268 N#Cc1ccc(cc1OCF)Cl 7a_100000688488_100015361967 [0,2,0,0,0,0|2,0,0]=4 6057 B12R1.268 N#Cc1ccc(cc1OCF)F 34a_100012185923_100015361967 [0,2,0,0,0,0|2,0,0]=4 6058 B12R1.268 N#Cc1ccc(cc1OCF)F 7a_100012185923_100015361967 [0,2,0,0,0,0|2,0,0]=4 6059 B12R1.268 N#Cc1ccc(cc1OCF)N 34a_100000094571_100015361967 [0,2,0,0,0,0|2,0,0]=4 6060 B12R1.268 N#Cc1ccc(cc1OCF)N 7a_100000094571_100015361967 [0,2,0,0,0,0|2,0,0]=4 6061 B12R1.268 OCc1ccc(cc1OCF)Br 34a_100000071718_100015361967 [0,2,0,0,0,0|2,0,0]=4 6062 B12R1.268 OCc1ccc(cc1OCF)Br 7a_100000071718_100015361967 [0,2,0,0,0,0|2,0,0]=4 6063 B12R1.268 [13CH3]OCc1cc(ccc1C#N)F 34a_200011935090_200025704644 [0,2,0,0,0,0|2,0,0]=4 6064 B12R1.268 [13CH3]OCc1cc(ccc1C#N)F 7a_200011935090_200025704644 [0,2,0,0,0,0|2,0,0]=4 6065 B12R1.448 C=Cc1cc(c(cc1OC)C)N 271570a_100011290941_106657271712 [0,2,0,0,0,0|1,0,1]=4 6066 B12R1.448 C=Cc1cc(c(cc1OC)F)C 271570a_100011290941_100010201977 [0,2,0,0,0,0|1,0,1]=4 6067 B12R1.448 C=Cc1cc(c(cc1OC)F)F 271570a_100011290941_100009813744 [0,2,0,0,0,0|1,0,1]=4 6068 B12R1.448 C=Cc1cc(c(cc1OC)N)C 271570a_100011290941_100010232211 [0,2,0,0,0,0|1,0,1]=4 6069 B12R1.448 C=Cc1cc(c(cc1OC)N)N 271570a_100011290941_100012769537 [0,2,0,0,0,0|1,0,1]=4 6070 B12R1.448 CCc1cc(c(cc1NC)F)F 2230a_200013084838_200000210301 [0,2,0,0,0,0|2,0,0]=4 6071 B12R1.448 CCc1cc(c(cc1NC)F)F 34a_200013084838_200000210301 [0,2,0,0,0,0|2,0,0]=4 6072 B12R1.448 CCc1cc(c(cc1NC)F)F 7a_200013084838_200000210301 [0,2,0,0,0,0|2,0,0]=4 6073 B12R1.448 CCc1cc(c(cc1N[13CH3])F)F 2230a_200013084838_200025704644 [0,2,0,0,0,0|2,0,0]=4 6074 B12R1.448 CCc1cc(c(cc1N[13CH3])F)F 34a_200013084838_200025704644 [0,2,0,0,0,0|2,0,0]=4 6075 B12R1.448 CCc1cc(c(cc1N[13CH3])F)F 7a_200013084838_200025704644 [0,2,0,0,0,0|2,0,0]=4 6076 B12R1.448 CCc1cc(c(cc1SC)F)O 62a_100011156610_200000210301 [0,2,0,0,0,0|1,1,0]=4 6077 B12R1.448 CCc1cc(c(cc1SC)F)O 62a_200000210301_100011156610 [0,2,0,0,0,0|1,1,0]=4 6078 B12R1.448 CCc1cc(c(cc1S[13CH3])F)O 62a_100011156610_200025704644 [0,2,0,0,0,0|1,1,0]=4 6079 B12R1.448 CCc1cc(c(cc1S[13CH3])F)O 62a_200025704644_100011156610 [0,2,0,0,0,0|1,1,0]=4 6080 B12R1.448 CNc1cc(c(cc1OC)Br)C 2230a_100010141321_200000210301 [0,2,0,0,0,0|1,0,0]=3 6081 B12R1.448 CNc1cc(c(cc1OC)Br)C 34a_100010141321_200000210301 [0,2,0,0,0,0|1,0,0]=3 6082 B12R1.448 CNc1cc(c(cc1OC)Br)Cl 2230a_100010212225_200000210301 [0,2,0,0,0,0|1,0,0]=3 6083 B12R1.448 CNc1cc(c(cc1OC)Br)Cl 34a_100010212225_200000210301 [0,2,0,0,0,0|1,0,0]=3 6084 B12R1.448 CNc1cc(c(cc1OC)Br)F 2230a_100012766639_200000210301 [0,2,0,0,0,0|1,0,0]=3 6085 B12R1.448 CNc1cc(c(cc1OC)Br)F 34a_100012766639_200000210301 [0,2,0,0,0,0|1,0,0]=3 6086 B12R1.448 CNc1cc(c(cc1OC)C)Cl 2230a_100009868623_200000210301 [0,2,0,0,0,0|1,0,0]=3 6087 B12R1.448 CNc1cc(c(cc1OC)C)Cl 34a_100009868623_200000210301 [0,2,0,0,0,0|1,0,0]=3 6088 B12R1.448 CNc1cc(c(cc1OC)Cl)Br 2230a_100010380671_200000210301 [0,2,0,0,0,0|1,0,0]=3 6089 B12R1.448 CNc1cc(c(cc1OC)Cl)Br 34a_100010380671_200000210301 [0,2,0,0,0,0|1,0,0]=3 6090 B12R1.448 CNc1cc(c(cc1OC)Cl)C 2230a_100000211396_200000210301 [0,2,0,0,0,0|1,0,0]=3 6091 B12R1.448 CNc1cc(c(cc1OC)Cl)C 34a_100000211396_200000210301 [0,2,0,0,0,0|1,0,0]=3 6092 B12R1.448 CNc1cc(c(cc1OC)Cl)I 34a_100011011177_200000210301 [0,2,0,0,0,0|1,0,0]=3 6093 B12R1.448 CNc1cc(c(cc1OC)F)Br 2230a_100012361397_200000210301 [0,2,0,0,0,0|1,0,0]=3 6094 B12R1.448 CNc1cc(c(cc1OC)F)Br 34a_100012361397_200000210301 [0,2,0,0,0,0|1,0,0]=3 6095 B12R1.448 CNc1cc(c(cc1OC)F)Br 7a_100012361397_200000210301 [0,2,0,0,0,0|1,0,0]=3 6096 B12R1.448 CNc1cc(c(cc1OC)F)Cl 2230a_100012186795_200000210301 [0,2,0,0,0,0|1,0,0]=3 6097 B12R1.448 CNc1cc(c(cc1OC)F)Cl 34a_100012186795_200000210301 [0,2,0,0,0,0|1,0,0]=3 6098 B12R1.448 CNc1cc(c(cc1OC)F)F 2230a_100000732608_200000210301 [0,2,0,0,0,0|1,0,0]=3 6099 B12R1.448 CNc1cc(c(cc1OC)F)F 34a_100000732608_200000210301 [0,2,0,0,0,0|1,0,0]=3 6100 B12R1.448 CNc1cc(c(cc1OC)F)F 7a_100000732608_200000210301 [0,2,0,0,0,0|1,0,0]=3 6101 B12R1.448 COc1cc(c(cc1C#N)Cl)F 34a_200014338297_200000210301 [0,2,0,0,0,0|2,0,0]=4 6102 B12R1.448 COc1cc(c(cc1C#N)Cl)F 7a_200014338297_200000210301 [0,2,0,0,0,0|2,0,0]=4 6103 B12R1.448 COc1cc(c(cc1C#N)F)Br 34a_200010827376_200000210301 [0,2,0,0,0,0|2,0,0]=4 6104 B12R1.448 COc1cc(c(cc1C#N)F)Br 7a_200010827376_200000210301 [0,2,0,0,0,0|2,0,0]=4 6105 B12R1.448 COc1cc(c(cc1C#N)F)F 34a_100000062209_200000210301 [0,2,0,0,0,0|2,0,0]=4 6106 B12R1.448 COc1cc(c(cc1C#N)F)F 7a_100000062209_200000210301 [0,2,0,0,0,0|2,0,0]=4 6107 B12R1.448 COc1cc(c(cc1N[13CH3])Br)Cl 2230a_100010380671_200025704644 [0,2,0,0,0,0|1,0,0]=3 6108 B12R1.448 COc1cc(c(cc1N[13CH3])Br)Cl 34a_100010380671_200025704644 [0,2,0,0,0,0|1,0,0]=3 6109 B12R1.448 COc1cc(c(cc1N[13CH3])Br)F 2230a_100012361397_200025704644 [0,2,0,0,0,0|1,0,0]=3 6110 B12R1.448 COc1cc(c(cc1N[13CH3])Br)F 34a_100012361397_200025704644 [0,2,0,0,0,0|1,0,0]=3 6111 B12R1.448 COc1cc(c(cc1N[13CH3])Br)F 7a_100012361397_200025704644 [0,2,0,0,0,0|1,0,0]=3 6112 B12R1.448 COc1cc(c(cc1N[13CH3])C)Br 2230a_100010141321_200025704644 [0,2,0,0,0,0|1,0,0]=3 6113 B12R1.448 COc1cc(c(cc1N[13CH3])C)Br 34a_100010141321_200025704644 [0,2,0,0,0,0|1,0,0]=3 6114 B12R1.448 COc1cc(c(cc1N[13CH3])C)Cl 2230a_100000211396_200025704644 [0,2,0,0,0,0|1,0,0]=3 6115 B12R1.448 COc1cc(c(cc1N[13CH3])C)Cl 34a_100000211396_200025704644 [0,2,0,0,0,0|1,0,0]=3 6116 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)Br 2230a_100010212225_200025704644 [0,2,0,0,0,0|1,0,0]=3 6117 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)Br 34a_100010212225_200025704644 [0,2,0,0,0,0|1,0,0]=3 6118 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)C 2230a_100009868623_200025704644 [0,2,0,0,0,0|1,0,0]=3 6119 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)C 34a_100009868623_200025704644 [0,2,0,0,0,0|1,0,0]=3 6120 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)F 2230a_100012186795_200025704644 [0,2,0,0,0,0|1,0,0]=3 6121 B12R1.448 COc1cc(c(cc1N[13CH3])Cl)F 34a_100012186795_200025704644 [0,2,0,0,0,0|1,0,0]=3 6122 B12R1.448 COc1cc(c(cc1N[13CH3])F)Br 2230a_100012766639_200025704644 [0,2,0,0,0,0|1,0,0]=3 6123 B12R1.448 COc1cc(c(cc1N[13CH3])F)Br 34a_100012766639_200025704644 [0,2,0,0,0,0|1,0,0]=3 6124 B12R1.448 COc1cc(c(cc1N[13CH3])F)F 2230a_100000732608_200025704644 [0,2,0,0,0,0|1,0,0]=3 6125 B12R1.448 COc1cc(c(cc1N[13CH3])F)F 34a_100000732608_200025704644 [0,2,0,0,0,0|1,0,0]=3 6126 B12R1.448 COc1cc(c(cc1N[13CH3])F)F 7a_100000732608_200025704644 [0,2,0,0,0,0|1,0,0]=3 6127 B12R1.448 COc1cc(c(cc1N[13CH3])I)Cl 34a_100011011177_200025704644 [0,2,0,0,0,0|1,0,0]=3 6128 B12R1.448 COc1cc(c(cc1OC)Br)F 34a_100010189133_200000210301 [0,2,0,0,0,0|0,0,0]=2 6129 B12R1.448 COc1cc(c(cc1OC)Br)F 7a_100010189133_200000210301 [0,2,0,0,0,0|0,0,0]=2 6130 B12R1.448 COc1cc(c(cc1OC)F)O 271570a_203496583355_200011765842 [0,2,0,0,0,0|0,0,0]=2 6131 B12R1.448 COc1cc(c(cc1O[13CH3])F)Br 34a_100010189133_200025704644 [0,2,0,0,0,0|0,0,0]=2 6132 B12R1.448 COc1cc(c(cc1O[13CH3])F)Br 7a_100010189133_200025704644 [0,2,0,0,0,0|0,0,0]=2 6133 B12R1.448 COc1cc(c(cc1SC)C)F 62a_100010201977_200000210301 [0,2,0,0,0,0|0,1,0]=3 6134 B12R1.448 COc1cc(c(cc1SC)C)F 62a_200000210301_100010201977 [0,2,0,0,0,0|0,1,0]=3 6135 B12R1.448 COc1cc(c(cc1SC)C)N 62a_100010232211_200000210301 [0,2,0,0,0,0|0,1,0]=3 6136 B12R1.448 COc1cc(c(cc1SC)C)N 62a_200000210301_100010232211 [0,2,0,0,0,0|0,1,0]=3 6137 B12R1.448 COc1cc(c(cc1SC)F)F 62a_100009813744_200000210301 [0,2,0,0,0,0|0,1,0]=3 6138 B12R1.448 COc1cc(c(cc1SC)F)F 62a_200000210301_100009813744 [0,2,0,0,0,0|0,1,0]=3 6139 B12R1.448 COc1cc(c(cc1SC)N)C 62a_106657271712_200000210301 [0,2,0,0,0,0|0,1,0]=3 6140 B12R1.448 COc1cc(c(cc1SC)N)C 62a_200000210301_106657271712 [0,2,0,0,0,0|0,1,0]=3 6141 B12R1.448 COc1cc(c(cc1SC)N)N 62a_100012769537_200000210301 [0,2,0,0,0,0|0,1,0]=3 6142 B12R1.448 COc1cc(c(cc1S[13CH3])C)F 62a_100010201977_200025704644 [0,2,0,0,0,0|0,1,0]=3 6143 B12R1.448 COc1cc(c(cc1S[13CH3])C)F 62a_200025704644_100010201977 [0,2,0,0,0,0|0,1,0]=3 6144 B12R1.448 COc1cc(c(cc1S[13CH3])C)N 62a_100010232211_200025704644 [0,2,0,0,0,0|0,1,0]=3 6145 B12R1.448 COc1cc(c(cc1S[13CH3])C)N 62a_200025704644_100010232211 [0,2,0,0,0,0|0,1,0]=3 6146 B12R1.448 COc1cc(c(cc1S[13CH3])F)F 62a_100009813744_200025704644 [0,2,0,0,0,0|0,1,0]=3 6147 B12R1.448 COc1cc(c(cc1S[13CH3])F)F 62a_200025704644_100009813744 [0,2,0,0,0,0|0,1,0]=3 6148 B12R1.448 COc1cc(c(cc1S[13CH3])N)C 62a_106657271712_200025704644 [0,2,0,0,0,0|0,1,0]=3 6149 B12R1.448 COc1cc(c(cc1S[13CH3])N)C 62a_200025704644_106657271712 [0,2,0,0,0,0|0,1,0]=3 6150 B12R1.448 COc1cc(c(cc1S[13CH3])N)N 62a_100012769537_200025704644 [0,2,0,0,0,0|0,1,0]=3 6151 B12R1.448 COc1cc(c(nc1OC)O)C 271570a_203496583355_200011016175 [0,2,0,0,0,0|1,0,0]=3 6152 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)Cl)F 34a_200014338297_200025704644 [0,2,0,0,0,0|2,0,0]=4 6153 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)Cl)F 7a_200014338297_200025704644 [0,2,0,0,0,0|2,0,0]=4 6154 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)F)Br 34a_200010827376_200025704644 [0,2,0,0,0,0|2,0,0]=4 6155 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)F)Br 7a_200010827376_200025704644 [0,2,0,0,0,0|2,0,0]=4 6156 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)F)F 34a_100000062209_200025704644 [0,2,0,0,0,0|2,0,0]=4 6157 B12R1.448 [13CH3]Oc1cc(c(cc1C#N)F)F 7a_100000062209_200025704644 [0,2,0,0,0,0|2,0,0]=4 6158 B12R1.652 C=Cc1c(ccc(c1F)F)OC 271570a_100011290941_100010204329 [0,2,0,0,0,0|1,0,1]=4 6159 B12R1.652 C=Cc1ccc(c(c1OC)F)C 271570a_100011290941_100010081143 [0,2,0,0,0,0|1,0,1]=4 6160 B12R1.652 C=Cc1ccc(c(c1OC)F)F 271570a_100011290941_100010223324 [0,2,0,0,0,0|1,0,1]=4 6161 B12R1.652 C=Cc1ccc(c(c1OC)O)F 271570a_100011290941_200010167157 [0,2,0,0,0,0|1,0,1]=4 6162 B12R1.652 CNc1c(ccc(c1F)F)OC 34a_100000061648_200000210301 [0,2,0,0,0,0|1,0,0]=3 6163 B12R1.652 CNc1ccc(c(c1OC)Br)F 2230a_102516457224_200000210301 [0,2,0,0,0,0|1,0,0]=3 6164 B12R1.652 CNc1ccc(c(c1OC)Br)F 34a_102516457224_200000210301 [0,2,0,0,0,0|1,0,0]=3 6165 B12R1.652 CNc1ccc(c(c1OC)F)Br 2230a_100010734149_200000210301 [0,2,0,0,0,0|1,0,0]=3 6166 B12R1.652 CNc1ccc(c(c1OC)F)Br 34a_100010734149_200000210301 [0,2,0,0,0,0|1,0,0]=3 6167 B12R1.652 CNc1ccc(c(c1OC)F)F 2230a_100011695293_200000210301 [0,2,0,0,0,0|1,0,0]=3 6168 B12R1.652 CNc1ccc(c(c1OC)F)F 34a_100011695293_200000210301 [0,2,0,0,0,0|1,0,0]=3 6169 B12R1.652 COc1c(cc[n+](c1C)[O-])SC 62a_200000210301_100000067051 [0,2,0,0,0,0|1,1,0]=4 6170 B12R1.652 COc1c(cc[n+](c1C)[O-])S[13CH3] 62a_200025704644_100000067051 [0,2,0,0,0,0|1,1,0]=4 6171 B12R1.652 COc1c(ccc(c1Br)F)C#N 34a_100010128267_200000210301 [0,2,0,0,0,0|2,0,0]=4 6172 B12R1.652 COc1c(ccc(c1Br)F)C#N 7a_100010128267_200000210301 [0,2,0,0,0,0|2,0,0]=4 6173 B12R1.652 COc1c(ccc(c1Br)F)N[13CH3] 2230a_102516457224_200025704644 [0,2,0,0,0,0|1,0,0]=3 6174 B12R1.652 COc1c(ccc(c1Br)F)N[13CH3] 34a_102516457224_200025704644 [0,2,0,0,0,0|1,0,0]=3 6175 B12R1.652 COc1c(ccc(c1Cl)Cl)C#N 34a_200010827036_200000210301 [0,2,0,0,0,0|2,0,0]=4 6176 B12R1.652 COc1c(ccc(c1Cl)Cl)C#N 7a_200010827036_200000210301 [0,2,0,0,0,0|2,0,0]=4 6177 B12R1.652 COc1c(ccc(c1F)Br)N[13CH3] 2230a_100010734149_200025704644 [0,2,0,0,0,0|1,0,0]=3 6178 B12R1.652 COc1c(ccc(c1F)Br)N[13CH3] 34a_100010734149_200025704644 [0,2,0,0,0,0|1,0,0]=3 6179 B12R1.652 COc1c(ccc(c1F)C)SC 62a_100010081143_200000210301 [0,2,0,0,0,0|0,1,0]=3 6180 B12R1.652 COc1c(ccc(c1F)C)SC 62a_200000210301_100010081143 [0,2,0,0,0,0|0,1,0]=3 6181 B12R1.652 COc1c(ccc(c1F)C)S[13CH3] 62a_100010081143_200025704644 [0,2,0,0,0,0|0,1,0]=3 6182 B12R1.652 COc1c(ccc(c1F)C)S[13CH3] 62a_200025704644_100010081143 [0,2,0,0,0,0|0,1,0]=3 6183 B12R1.652 COc1c(ccc(c1F)F)C#N 34a_200000080570_200000210301 [0,2,0,0,0,0|2,0,0]=4 6184 B12R1.652 COc1c(ccc(c1F)F)C#N 7a_200000080570_200000210301 [0,2,0,0,0,0|2,0,0]=4 6185 B12R1.652 COc1c(ccc(c1F)F)N[13CH3] 2230a_100011695293_200025704644 [0,2,0,0,0,0|1,0,0]=3 6186 B12R1.652 COc1c(ccc(c1F)F)N[13CH3] 34a_100011695293_200025704644 [0,2,0,0,0,0|1,0,0]=3 6187 B12R1.652 COc1c(ccc(c1F)F)SC 62a_100010223324_200000210301 [0,2,0,0,0,0|0,1,0]=3 6188 B12R1.652 COc1c(ccc(c1F)F)SC 62a_200000210301_100010223324 [0,2,0,0,0,0|0,1,0]=3 6189 B12R1.652 COc1c(ccc(c1F)F)S[13CH3] 62a_100010223324_200025704644 [0,2,0,0,0,0|0,1,0]=3 6190 B12R1.652 COc1c(ccc(c1F)F)S[13CH3] 62a_200025704644_100010223324 [0,2,0,0,0,0|0,1,0]=3 6191 B12R1.652 COc1c(ccc(c1F)O)C#N 271570a_203496583355_200010764283 [0,2,0,0,0,0|2,0,0]=4 6192 B12R1.652 COc1c(ccc(c1O)F)SC 62a_200000210301_200010167157 [0,2,0,0,0,0|0,1,0]=3 6193 B12R1.652 COc1c(ccc(c1O)F)S[13CH3] 62a_200025704644_200010167157 [0,2,0,0,0,0|0,1,0]=3 6194 B12R1.652 COc1ccc(c(c1C#N)Br)Cl 34a_100015534069_200000210301 [0,2,0,0,0,0|2,0,0]=4 6195 B12R1.652 COc1ccc(c(c1C#N)Br)Cl 7a_100015534069_200000210301 [0,2,0,0,0,0|2,0,0]=4 6196 B12R1.652 COc1ccc(c(c1C=O)F)O 271570a_203496583355_100010202131 [0,2,0,0,0,0|2,0,0]=4 6197 B12R1.652 COc1ccc(c(c1C=O)O)F 271570a_203496583355_100021272739 [0,2,0,0,0,0|2,0,0]=4 6198 B12R1.652 COc1ccc(c(c1N[13CH3])F)F 34a_100000061648_200025704644 [0,2,0,0,0,0|1,0,0]=3 6199 B12R1.652 COc1ccc(c(c1OC)C)O 271570a_203496583355_100010000156 [0,2,0,0,0,0|0,0,0]=2 6200 B12R1.652 COc1ccc(c(c1OC)F)F 34a_100000062125_200000210301 [0,2,0,0,0,0|0,0,0]=2 6201 B12R1.652 COc1ccc(c(c1OC)F)F 7a_100000062125_200000210301 [0,2,0,0,0,0|0,0,0]=2 6202 B12R1.652 COc1ccc(c(c1O[13CH3])F)F 34a_100000062125_200025704644 [0,2,0,0,0,0|0,0,0]=2 6203 B12R1.652 COc1ccc(c(c1O[13CH3])F)F 7a_100000062125_200025704644 [0,2,0,0,0,0|0,0,0]=2 6204 B12R1.652 COc1ccc(c(c1SC)F)F 62a_100010204329_200000210301 [0,2,0,0,0,0|0,1,0]=3 6205 B12R1.652 COc1ccc(c(c1SC)F)F 62a_200000210301_100010204329 [0,2,0,0,0,0|0,1,0]=3 6206 B12R1.652 COc1ccc(c(c1S[13CH3])F)F 62a_100010204329_200025704644 [0,2,0,0,0,0|0,1,0]=3 6207 B12R1.652 COc1ccc(c(c1S[13CH3])F)F 62a_200025704644_100010204329 [0,2,0,0,0,0|0,1,0]=3 6208 B12R1.652 CSc1c(ccc(c1F)C)S[13CH3] 62a_200025704644_200134762213 [0,2,0,0,0,0|0,2,0]=4 6209 B12R1.652 CSc1c(ccc(c1F)C)S[13CH3] 62a_200134762213_200025704644 [0,2,0,0,0,0|0,2,0]=4 6210 B12R1.652 CSc1ccc(c(c1SC)F)C 62a_200000210301_200134762213 [0,2,0,0,0,0|0,2,0]=4 6211 B12R1.652 CSc1ccc(c(c1SC)F)C 62a_200134762213_200000210301 [0,2,0,0,0,0|0,2,0]=4 6212 B12R1.652 [13CH3]Oc1c(ccc(c1Br)F)C#N 34a_100010128267_200025704644 [0,2,0,0,0,0|2,0,0]=4 6213 B12R1.652 [13CH3]Oc1c(ccc(c1Br)F)C#N 7a_100010128267_200025704644 [0,2,0,0,0,0|2,0,0]=4 6214 B12R1.652 [13CH3]Oc1c(ccc(c1Cl)Cl)C#N 34a_200010827036_200025704644 [0,2,0,0,0,0|2,0,0]=4 6215 B12R1.652 [13CH3]Oc1c(ccc(c1Cl)Cl)C#N 7a_200010827036_200025704644 [0,2,0,0,0,0|2,0,0]=4 6216 B12R1.652 [13CH3]Oc1c(ccc(c1F)F)C#N 34a_200000080570_200025704644 [0,2,0,0,0,0|2,0,0]=4 6217 B12R1.652 [13CH3]Oc1c(ccc(c1F)F)C#N 7a_200000080570_200025704644 [0,2,0,0,0,0|2,0,0]=4 6218 B12R1.652 [13CH3]Oc1ccc(c(c1C#N)Br)Cl 34a_100015534069_200025704644 [0,2,0,0,0,0|2,0,0]=4 6219 B12R1.652 [13CH3]Oc1ccc(c(c1C#N)Br)Cl 7a_100015534069_200025704644 [0,2,0,0,0,0|2,0,0]=4 6220 B12R1.75 C#Cc1ccccc1OC(C)C 34a_200011470546_100000210206 [0,2,0,0,0,0|1,0,1]=4 6221 B12R1.75 C#Cc1ccccc1OC(C)C 7a_200011470546_100000210206 [0,2,0,0,0,0|1,0,1]=4 6222 B12R1.75 C=Cc1ccccc1OC(=O)C 271570a_100011290941_100000051690 [0,2,0,0,0,0|1,0,1]=4 6223 B12R1.75 C=Cc1ccccc1OC(C)C 271570a_100011290941_100000173919 [0,2,0,0,0,0|1,0,1]=4 6224 B12R1.75 C=Cc1ccccc1OC(F)F 271570a_100011290941_100000742724 [0,2,0,0,0,0|1,0,1]=4 6225 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,2,0,0,0,0|1,1,0]=4 6226 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,2,0,0,0,0|1,1,0]=4 6227 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,2,0,0,0,0|2,0,0]=4 6228 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,2,0,0,0,0|1,0,0]=3 6229 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,2,0,0,0,0|1,0,0]=3 6230 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,2,0,0,0,0|1,1,0]=4 6231 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,2,0,0,0,0|2,0,0]=4 6232 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,2,0,0,0,0|2,0,0]=4 6233 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,2,0,0,0,0|0,1,0]=3 6234 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,2,0,0,0,0|0,1,0]=3 6235 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,2,0,0,0,0|1,1,0]=4 6236 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,2,0,0,0,0|1,1,0]=4 6237 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_100000219599_200025704644 [0,2,0,0,0,0|1,1,0]=4 6238 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_200025704644_100000219599 [0,2,0,0,0,0|1,1,0]=4 6239 B12R1.75 CC(C)Oc1ccccc1C#N 34a_100000211048_100000210206 [0,2,0,0,0,0|2,0,0]=4 6240 B12R1.75 CC(C)Oc1ccccc1C#N 7a_100000211048_100000210206 [0,2,0,0,0,0|2,0,0]=4 6241 B12R1.75 CC(C)Oc1ccccc1CN 34a_100000185550_100000210206 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.75 CC(C)Oc1ccccc1CO 34a_100011216872_100000210206 [0,2,0,0,0,0|2,0,0]=4 6243 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,2,0,0,0,0|1,0,0]=3 6244 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,2,0,0,0,0|1,0,0]=3 6245 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,2,0,0,0,0|0,0,0]=2 6246 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,2,0,0,0,0|0,0,0]=2 6247 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,2,0,0,0,0|0,1,0]=3 6248 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,2,0,0,0,0|0,1,0]=3 6249 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200011465186_200025704644 [0,2,0,0,0,0|1,1,0]=4 6250 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200025704644_200011465186 [0,2,0,0,0,0|1,1,0]=4 6251 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 2230a_100000688217_200025704644 [0,2,0,0,0,0|1,1,0]=4 6252 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 34a_100000688217_200025704644 [0,2,0,0,0,0|1,1,0]=4 6253 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [0,2,0,0,0,0|2,0,0]=4 6254 B12R1.75 CCc1ccccc1CN(C)C 270004a_100102631434_100011219594 [0,2,0,0,0,0|2,0,0]=4 6255 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,2,0,0,0,0|2,0,0]=4 6256 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,2,0,0,0,0|2,0,0]=4 6257 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,2,0,0,0,0|2,0,0]=4 6258 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,2,0,0,0,0|2,0,0]=4 6259 B12R1.75 CCc1ccccc1NC(C)C 2230a_100000212081_100000210206 [0,2,0,0,0,0|2,0,0]=4 6260 B12R1.75 CCc1ccccc1NC(C)C 34a_100000212081_100000210206 [0,2,0,0,0,0|2,0,0]=4 6261 B12R1.75 CCc1ccccc1NC(C)C 7a_100000212081_100000210206 [0,2,0,0,0,0|2,0,0]=4 6262 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,2,0,0,0,0|1,0,0]=3 6263 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,2,0,0,0,0|1,0,0]=3 6264 B12R1.75 CCc1ccccc1SC(C)C 62a_100000210206_100011215823 [0,2,0,0,0,0|1,1,0]=4 6265 B12R1.75 CCc1ccccc1SC(C)C 62a_100011215823_100000210206 [0,2,0,0,0,0|1,1,0]=4 6266 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_100000174758_200025704644 [0,2,0,0,0,0|1,1,0]=4 6267 B12R1.75 CN(C)Cc1ccccc1S[13CH3] 62a_200025704644_100000174758 [0,2,0,0,0,0|1,1,0]=4 6268 B12R1.75 CNc1ccccc1C=C(C)C 271570a_100102525489_100020606079 [0,2,0,0,0,0|2,0,0]=4 6269 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,2,0,0,0,0|2,0,0]=4 6270 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,2,0,0,0,0|1,0,0]=3 6271 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,2,0,0,0,0|1,0,0]=3 6272 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,2,0,0,0,0|1,0,0]=3 6273 B12R1.75 CNc1ccccc1OC(F)F 2230a_100000182466_200000210301 [0,2,0,0,0,0|1,0,0]=3 6274 B12R1.75 CNc1ccccc1OC(F)F 34a_100000182466_200000210301 [0,2,0,0,0,0|1,0,0]=3 6275 B12R1.75 CNc1ccccc1SC(C)C 2230a_100000688217_200000210301 [0,2,0,0,0,0|1,1,0]=4 6276 B12R1.75 CNc1ccccc1SC(C)C 34a_100000688217_200000210301 [0,2,0,0,0,0|1,1,0]=4 6277 B12R1.75 CNc1ccccc1SC(C)C 62a_100000210206_100020606079 [0,2,0,0,0,0|1,1,0]=4 6278 B12R1.75 CNc1ccccc1SC(C)C 62a_100020606079_100000210206 [0,2,0,0,0,0|1,1,0]=4 6279 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,2,0,0,0,0|1,0,0]=3 6280 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,2,0,0,0,0|1,0,0]=3 6281 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,2,0,0,0,0|1,0,0]=3 6282 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,2,0,0,0,0|1,0,0]=3 6283 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [0,2,0,0,0,0|1,0,0]=3 6284 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [0,2,0,0,0,0|1,0,0]=3 6285 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [0,2,0,0,0,0|1,0,0]=3 6286 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [0,2,0,0,0,0|1,0,0]=3 6287 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [0,2,0,0,0,0|1,0,0]=3 6288 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [0,2,0,0,0,0|1,0,0]=3 6289 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [0,2,0,0,0,0|1,0,0]=3 6290 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,2,0,0,0,0|1,0,0]=3 6291 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,2,0,0,0,0|1,0,0]=3 6292 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,2,0,0,0,0|1,0,0]=3 6293 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,2,0,0,0,0|1,0,0]=3 6294 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,2,0,0,0,0|1,0,0]=3 6295 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,2,0,0,0,0|1,0,0]=3 6296 B12R1.75 COc1ccccc1NC(=S)N 7a_200000011649_200000210301 [0,2,0,0,0,0|1,0,1]=4 6297 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [0,2,0,0,0,0|1,0,0]=3 6298 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,2,0,0,0,0|0,0,0]=2 6299 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,2,0,0,0,0|0,0,0]=2 6300 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,2,0,0,0,0|0,0,0]=2 6301 B12R1.75 COc1ccccc1OC(F)F 34a_100000752575_200000210301 [0,2,0,0,0,0|0,0,0]=2 6302 B12R1.75 COc1ccccc1OC(F)F 7a_100000752575_200000210301 [0,2,0,0,0,0|0,0,0]=2 6303 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [0,2,0,0,0,0|0,1,0]=3 6304 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [0,2,0,0,0,0|0,1,0]=3 6305 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [0,2,0,0,0,0|2,0,0]=4 6306 B12R1.75 COc1cccnc1CN(C)C 270004a_100102631434_100011912573 [0,2,0,0,0,0|2,0,0]=4 6307 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,2,0,0,0,0|2,0,0]=4 6308 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,2,0,0,0,0|2,0,0]=4 6309 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [0,2,0,0,0,0|1,0,0]=3 6310 B12R1.75 COc1cccnc1SC(C)C 62a_100000210206_100000690851 [0,2,0,0,0,0|1,1,0]=4 6311 B12R1.75 COc1cccnc1SC(C)C 62a_100000767102_100000210206 [0,2,0,0,0,0|1,1,0]=4 6312 B12R1.75 COc1ccncc1C=C(C)C 271570a_100102525489_100011997281 [0,2,0,0,0,0|2,0,0]=4 6313 B12R1.75 COc1ccncc1CN(C)C 270004a_100102631434_200011997045 [0,2,0,0,0,0|2,0,0]=4 6314 B12R1.75 COc1ccncc1OC(C)C 34a_100000101186_100000210206 [0,2,0,0,0,0|1,0,0]=3 6315 B12R1.75 COc1ccncc1SC(C)C 62a_100000210206_100011997281 [0,2,0,0,0,0|1,1,0]=4 6316 B12R1.75 COc1ccncc1SC(C)C 62a_100011997281_100000210206 [0,2,0,0,0,0|1,1,0]=4 6317 B12R1.75 COc1cnccc1C=C(C)C 271570a_100102525489_100016988167 [0,2,0,0,0,0|2,0,0]=4 6318 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [0,2,0,0,0,0|2,0,0]=4 6319 B12R1.75 COc1cnccc1CN(C)C 2230a_100102631434_100020635607 [0,2,0,0,0,0|2,0,0]=4 6320 B12R1.75 COc1cnccc1CN(C)C 270004a_100102631434_100011361505 [0,2,0,0,0,0|2,0,0]=4 6321 B12R1.75 COc1cnccc1SC(C)C 62a_100000210206_100016988167 [0,2,0,0,0,0|1,1,0]=4 6322 B12R1.75 COc1cnccc1SC(C)C 62a_100016988167_100000210206 [0,2,0,0,0,0|1,1,0]=4 6323 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [0,2,0,0,0,0|2,0,0]=4 6324 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,2,0,0,0,0|2,0,0]=4 6325 B12R1.75 COc1ncccc1CN(C)C 2230a_100102631434_100020631285 [0,2,0,0,0,0|2,0,0]=4 6326 B12R1.75 COc1ncccc1CN(C)C 270004a_100102631434_100011290804 [0,2,0,0,0,0|2,0,0]=4 6327 B12R1.75 COc1ncccc1OC(C)C 34a_100000698397_100000210206 [0,2,0,0,0,0|1,0,0]=3 6328 B12R1.75 COc1ncccc1OC(C)C 7a_100000698397_100000210206 [0,2,0,0,0,0|1,0,0]=3 6329 B12R1.75 COc1ncccc1SC(C)C 62a_100000047025_100000210206 [0,2,0,0,0,0|1,1,0]=4 6330 B12R1.75 COc1ncccc1SC(C)C 62a_100000210206_100000047025 [0,2,0,0,0,0|1,1,0]=4 6331 B12R1.75 CSc1ccccc1C=C(C)C 271570a_100102525489_100011217816 [0,2,0,0,0,0|1,1,0]=4 6332 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,2,0,0,0,0|1,1,0]=4 6333 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,2,0,0,0,0|1,1,0]=4 6334 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,2,0,0,0,0|1,1,0]=4 6335 B12R1.75 CSc1ccccc1CN(C)C 2230a_100102631434_100000699184 [0,2,0,0,0,0|1,1,0]=4 6336 B12R1.75 CSc1ccccc1CN(C)C 269982a_100102631434_100000699184 [0,2,0,0,0,0|1,1,0]=4 6337 B12R1.75 CSc1ccccc1CN(C)C 270004a_100102631434_100011217347 [0,2,0,0,0,0|1,1,0]=4 6338 B12R1.75 CSc1ccccc1CN(C)C 62a_100000174758_200000210301 [0,2,0,0,0,0|1,1,0]=4 6339 B12R1.75 CSc1ccccc1CN(C)C 62a_200000210301_100000174758 [0,2,0,0,0,0|1,1,0]=4 6340 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,2,0,0,0,0|1,1,0]=4 6341 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,2,0,0,0,0|1,1,0]=4 6342 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,2,0,0,0,0|1,1,0]=4 6343 B12R1.75 CSc1ccccc1NC(C)C 34a_100000211160_100000210206 [0,2,0,0,0,0|1,1,0]=4 6344 B12R1.75 CSc1ccccc1NC(C)C 62a_100000219599_200000210301 [0,2,0,0,0,0|1,1,0]=4 6345 B12R1.75 CSc1ccccc1NC(C)C 62a_200000210301_100000219599 [0,2,0,0,0,0|1,1,0]=4 6346 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,2,0,0,0,0|0,1,0]=3 6347 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,2,0,0,0,0|0,1,0]=3 6348 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,2,0,0,0,0|0,1,0]=3 6349 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,2,0,0,0,0|0,1,0]=3 6350 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,2,0,0,0,0|0,1,0]=3 6351 B12R1.75 CSc1ccccc1OC(F)F 62a_100011263859_200000210301 [0,2,0,0,0,0|0,1,0]=3 6352 B12R1.75 CSc1ccccc1OC(F)F 62a_200000210301_100011263859 [0,2,0,0,0,0|0,1,0]=3 6353 B12R1.75 CSc1ccccc1SC(C)C 62a_100000210206_100011217816 [0,2,0,0,0,0|0,2,0]=4 6354 B12R1.75 CSc1ccccc1SC(C)C 62a_100011217816_100000210206 [0,2,0,0,0,0|0,2,0]=4 6355 B12R1.75 CSc1cccnc1OC(C)C 62a_200000210301_200011465186 [0,2,0,0,0,0|1,1,0]=4 6356 B12R1.75 CSc1cccnc1OC(C)C 62a_200011465186_200000210301 [0,2,0,0,0,0|1,1,0]=4 6357 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,2,0,0,0,0|1,1,0]=4 6358 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,2,0,0,0,0|1,1,0]=4 6359 B12R1.75 CSc1ncccc1OC(F)F 62a_100000697348_200000210301 [0,2,0,0,0,0|1,1,0]=4 6360 B12R1.75 CSc1ncccc1OC(F)F 62a_200000210301_100000697348 [0,2,0,0,0,0|1,1,0]=4 6361 B12R1.75 [13CH3]Nc1ccccc1OC(F)F 2230a_100000182466_200025704644 [0,2,0,0,0,0|1,0,0]=3 6362 B12R1.75 [13CH3]Nc1ccccc1OC(F)F 34a_100000182466_200025704644 [0,2,0,0,0,0|1,0,0]=3 6363 B12R1.75 [13CH3]Oc1ccccc1NC(=S)N 7a_200000011649_200025704644 [0,2,0,0,0,0|1,0,1]=4 6364 B12R1.75 [13CH3]Oc1ccccc1OC(F)F 34a_100000752575_200025704644 [0,2,0,0,0,0|0,0,0]=2 6365 B12R1.75 [13CH3]Oc1ccccc1OC(F)F 7a_100000752575_200025704644 [0,2,0,0,0,0|0,0,0]=2 6366 B12R1.75 [13CH3]Sc1ccccc1OC(F)F 62a_100011263859_200025704644 [0,2,0,0,0,0|0,1,0]=3 6367 B12R1.75 [13CH3]Sc1ccccc1OC(F)F 62a_200025704644_100011263859 [0,2,0,0,0,0|0,1,0]=3 6368 B12R1.75 [13CH3]Sc1ncccc1OC(F)F 62a_100000697348_200025704644 [0,2,0,0,0,0|1,1,0]=4 6369 B12R1.75 [13CH3]Sc1ncccc1OC(F)F 62a_200025704644_100000697348 [0,2,0,0,0,0|1,1,0]=4 6370 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [0,2,0,0,0,0|1,0,1]=4 6371 B12R1.77 CC(=NO)c1ccccc1O[13CH3] 34a_100000164216_200025704644 [0,2,0,0,0,0|1,0,0]=3 6372 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200010232107_200025704644 [0,2,0,0,0,0|1,1,0]=4 6373 B12R1.77 CC(C#N)c1ccccc1S[13CH3] 62a_200025704644_200010232107 [0,2,0,0,0,0|1,1,0]=4 6374 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,2,0,0,0,0|2,0,0]=4 6375 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,2,0,0,0,0|1,0,0]=3 6376 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,2,0,0,0,0|1,0,0]=3 6377 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,2,0,0,0,0|1,0,0]=3 6378 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,2,0,0,0,0|1,1,0]=4 6379 B12R1.77 CCC(C)c1ccccc1NC 2230a_200000211393_200000210301 [0,2,0,0,0,0|2,0,0]=4 6380 B12R1.77 CCC(C)c1ccccc1NC 7a_200000211393_200000210301 [0,2,0,0,0,0|2,0,0]=4 6381 B12R1.77 CCC(C)c1ccccc1N[13CH3] 2230a_200000211393_200025704644 [0,2,0,0,0,0|2,0,0]=4 6382 B12R1.77 CCC(C)c1ccccc1N[13CH3] 7a_200000211393_200025704644 [0,2,0,0,0,0|2,0,0]=4 6383 B12R1.77 CCC(C)c1ccccc1OC 7a_100000211618_200000210301 [0,2,0,0,0,0|1,0,0]=3 6384 B12R1.77 CCC(C)c1ccccc1O[13CH3] 7a_100000211618_200025704644 [0,2,0,0,0,0|1,0,0]=3 6385 B12R1.77 CCN(C)c1ccccc1OC 2230a_100000219746_100000210202 [0,2,0,0,0,0|1,0,0]=3 6386 B12R1.77 CCN(C)c1ccccc1OC 2230a_100020603010_200000210301 [0,2,0,0,0,0|1,0,0]=3 6387 B12R1.77 CCN(C)c1ccccc1OC 269982a_100000219746_100000204670 [0,2,0,0,0,0|1,0,0]=3 6388 B12R1.77 CCN(C)c1ccccc1OC 269982a_100020603010_200000210301 [0,2,0,0,0,0|1,0,0]=3 6389 B12R1.77 CCN(C)c1ccccc1OC 34a_100000219746_100000210202 [0,2,0,0,0,0|1,0,0]=3 6390 B12R1.77 CCN([13CH3])c1ccccc1OC 2230a_100020603010_200025704644 [0,2,0,0,0,0|1,0,0]=3 6391 B12R1.77 CCN([13CH3])c1ccccc1OC 269982a_100020603010_200025704644 [0,2,0,0,0,0|1,0,0]=3 6392 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,2,0,0,0,0|2,0,0]=4 6393 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,2,0,0,0,0|2,0,0]=4 6394 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 6395 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 6396 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,2,0,0,0,0|2,0,0]=4 6397 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,2,0,0,0,0|2,0,0]=4 6398 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,2,0,0,0,0|2,0,0]=4 6399 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,2,0,0,0,0|2,0,0]=4 6400 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,2,0,0,0,0|1,0,0]=3 6401 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 6402 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 6403 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,2,0,0,0,0|1,0,0]=3 6404 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,2,0,0,0,0|1,0,0]=3 6405 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,2,0,0,0,0|1,0,0]=3 6406 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,2,0,0,0,0|1,0,0]=3 6407 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,2,0,0,0,0|1,0,0]=3 6408 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,2,0,0,0,0|1,1,0]=4 6409 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,2,0,0,0,0|1,1,0]=4 6410 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,2,0,0,0,0|1,1,0]=4 6411 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,2,0,0,0,0|1,1,0]=4 6412 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,2,0,0,0,0|1,1,0]=4 6413 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,2,0,0,0,0|1,1,0]=4 6414 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,2,0,0,0,0|1,1,0]=4 6415 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,2,0,0,0,0|1,1,0]=4 6416 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,2,0,0,0,0|2,0,0]=4 6417 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,2,0,0,0,0|2,0,0]=4 6418 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,2,0,0,0,0|2,0,0]=4 6419 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,2,0,0,0,0|2,0,0]=4 6420 B12R1.77 CNC(C)c1ccccc1OC 2230a_100000185323_200000210301 [0,2,0,0,0,0|1,0,0]=3 6421 B12R1.77 CNC(C)c1ccccc1OC 269862a_106832991636_100000173324 [0,2,0,0,0,0|1,0,0]=3 6422 B12R1.77 CNC(C)c1ccccc1SC 62a_100000692418_200000210301 [0,2,0,0,0,0|1,1,0]=4 6423 B12R1.77 CNC(C)c1ccccc1SC 62a_200000210301_100000692418 [0,2,0,0,0,0|1,1,0]=4 6424 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_100000692418_200025704644 [0,2,0,0,0,0|1,1,0]=4 6425 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_200025704644_100000692418 [0,2,0,0,0,0|1,1,0]=4 6426 B12R1.77 CNC(C)c1cccnc1OC 269862a_106832991636_100012184464 [0,2,0,0,0,0|2,0,0]=4 6427 B12R1.77 CNC(C)c1ncccc1OC 269862a_106832991636_100012185210 [0,2,0,0,0,0|2,0,0]=4 6428 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [0,2,0,0,0,0|2,0,0]=4 6429 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,2,0,0,0,0|0,0,0]=2 6430 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,2,0,0,0,0|0,0,0]=2 6431 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,2,0,0,0,0|0,1,0]=3 6432 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,2,0,0,0,0|0,1,0]=3 6433 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,2,0,0,0,0|0,1,0]=3 6434 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,2,0,0,0,0|0,1,0]=3 6435 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,2,0,0,0,0|1,1,0]=4 6436 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,2,0,0,0,0|1,1,0]=4 6437 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,2,0,0,0,0|1,1,0]=4 6438 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,2,0,0,0,0|1,1,0]=4 6439 B12R1.77 COC(=O)c1ccncc1SC 62a_100010008606_200000210301 [0,2,0,0,0,0|1,1,0]=4 6440 B12R1.77 COC(=O)c1ccncc1SC 62a_200000210301_100010008606 [0,2,0,0,0,0|1,1,0]=4 6441 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_100010008606_200025704644 [0,2,0,0,0,0|1,1,0]=4 6442 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010008606 [0,2,0,0,0,0|1,1,0]=4 6443 B12R1.77 COC(=O)c1cnccc1SC 62a_100020629055_200000210301 [0,2,0,0,0,0|1,1,0]=4 6444 B12R1.77 COC(=O)c1cnccc1SC 62a_200000210301_100020629055 [0,2,0,0,0,0|1,1,0]=4 6445 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_100020629055_200025704644 [0,2,0,0,0,0|1,1,0]=4 6446 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_200025704644_100020629055 [0,2,0,0,0,0|1,1,0]=4 6447 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,2,0,0,0,0|1,0,0]=3 6448 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,2,0,0,0,0|1,0,0]=3 6449 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,2,0,0,0,0|1,0,0]=3 6450 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,2,0,0,0,0|1,0,0]=3 6451 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,2,0,0,0,0|1,1,0]=4 6452 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,2,0,0,0,0|1,1,0]=4 6453 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,2,0,0,0,0|1,1,0]=4 6454 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,2,0,0,0,0|1,1,0]=4 6455 B12R1.77 CO[C@@H](C)c1ncccc1SC 62a_106256553109_200000210301 [0,2,0,0,0,0|1,1,0]=4 6456 B12R1.77 CO[C@@H](C)c1ncccc1SC 62a_200000210301_106256553109 [0,2,0,0,0,0|1,1,0]=4 6457 B12R1.77 CO[C@@H](C)c1ncccc1S[13CH3] 62a_106256553109_200025704644 [0,2,0,0,0,0|1,1,0]=4 6458 B12R1.77 CO[C@@H](C)c1ncccc1S[13CH3] 62a_200025704644_106256553109 [0,2,0,0,0,0|1,1,0]=4 6459 B12R1.77 COc1ccccc1C(=NO)C 34a_100000164216_200000210301 [0,2,0,0,0,0|1,0,0]=3 6460 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,2,0,0,0,0|1,0,0]=3 6461 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,2,0,0,0,0|1,0,0]=3 6462 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [0,2,0,0,0,0|2,0,0]=4 6463 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [0,2,0,0,0,0|2,0,0]=4 6464 B12R1.77 COc1ccccc1C(C)N[13CH3] 2230a_100000185323_200025704644 [0,2,0,0,0,0|1,0,0]=3 6465 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [0,2,0,0,0,0|0,0,0]=2 6466 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [0,2,0,0,0,0|0,0,0]=2 6467 B12R1.77 COc1ccccc1N(C)CF 269982a_100000219746_100015361967 [0,2,0,0,0,0|1,0,0]=3 6468 B12R1.77 COc1ccccc1N(C)CF 34a_100000219746_100015361967 [0,2,0,0,0,0|1,0,0]=3 6469 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,2,0,0,0,0|1,1,0]=4 6470 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [0,2,0,0,0,0|1,1,0]=4 6471 B12R1.77 CSc1ccccc1C(C)C#N 62a_200000210301_200010232107 [0,2,0,0,0,0|1,1,0]=4 6472 B12R1.77 CSc1ccccc1C(C)C#N 62a_200010232107_200000210301 [0,2,0,0,0,0|1,1,0]=4 6473 B12R1.77 CSc1ccccc1C(O)CN 62a_100011236429_200000210301 [0,2,0,0,0,0|1,1,0]=4 6474 B12R1.77 CSc1ccccc1C(O)CN 62a_200000210301_100011236429 [0,2,0,0,0,0|1,1,0]=4 6475 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_100161155918_200000210301 [0,2,0,0,0,0|1,1,0]=4 6476 B12R1.77 CSc1ccccc1[C@H](N)CO 62a_200000210301_100161155918 [0,2,0,0,0,0|1,1,0]=4 6477 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,2,0,0,0,0|1,0,0]=3 6478 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [0,2,0,0,0,0|2,0,0]=4 6479 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [0,2,0,0,0,0|2,0,0]=4 6480 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [0,2,0,0,0,0|1,1,0]=4 6481 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_100011236429_200025704644 [0,2,0,0,0,0|1,1,0]=4 6482 B12R1.77 [13CH3]Sc1ccccc1C(O)CN 62a_200025704644_100011236429 [0,2,0,0,0,0|1,1,0]=4 6483 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_100161155918_200025704644 [0,2,0,0,0,0|1,1,0]=4 6484 B12R1.77 [13CH3]Sc1ccccc1[C@H](N)CO 62a_200025704644_100161155918 [0,2,0,0,0,0|1,1,0]=4 6485 B12R1.121 C#CCNc1ccccc1CC 2230a_100000212081_100000038162 [0,2,0,0,0,0|2,0,0]=4 6486 B12R1.121 C#CCNc1ccccc1CC 34a_100000212081_100000184674 [0,2,0,0,0,0|2,0,0]=4 6487 B12R1.121 C#CCNc1ccccc1CC 7a_100000212081_100000038162 [0,2,0,0,0,0|2,0,0]=4 6488 B12R1.121 C#CCNc1ccccc1OC 34a_100000210025_100000184674 [0,2,0,0,0,0|1,0,0]=3 6489 B12R1.121 C#CCNc1ccccc1SC 34a_100000211160_100000184674 [0,2,0,0,0,0|1,1,0]=4 6490 B12R1.121 C#CCOc1ccccc1C#C 34a_200011470546_100000184674 [0,2,0,0,0,0|1,0,1]=4 6491 B12R1.121 C#CCOc1ccccc1C#C 7a_200011470546_100000038162 [0,2,0,0,0,0|1,0,1]=4 6492 B12R1.121 C#CCOc1ccccc1C#N 34a_100000211048_100000184674 [0,2,0,0,0,0|2,0,0]=4 6493 B12R1.121 C#CCOc1ccccc1C#N 7a_100000211048_100000038162 [0,2,0,0,0,0|2,0,0]=4 6494 B12R1.121 C#CCOc1ccccc1CC 34a_100000210936_100000184674 [0,2,0,0,0,0|1,0,0]=3 6495 B12R1.121 C#CCOc1ccccc1CC 7a_100000210936_100000038162 [0,2,0,0,0,0|1,0,0]=3 6496 B12R1.121 C#CCOc1ccccc1CN 34a_100000185550_100000184674 [0,2,0,0,0,0|2,0,0]=4 6497 B12R1.121 C#CCOc1ccccc1CO 34a_100011216872_100000184674 [0,2,0,0,0,0|2,0,0]=4 6498 B12R1.121 C#CCOc1ccccc1NC 34a_100000033821_100000184674 [0,2,0,0,0,0|1,0,0]=3 6499 B12R1.121 C#CCOc1ccccc1NC 34a_100000707309_200000210301 [0,2,0,0,0,0|1,0,0]=3 6500 B12R1.121 C#CCOc1ccccc1N[13CH3] 34a_100000707309_200025704644 [0,2,0,0,0,0|1,0,0]=3 6501 B12R1.121 C#CCOc1ccccc1OC 34a_100000210385_100000184674 [0,2,0,0,0,0|0,0,0]=2 6502 B12R1.121 C#CCOc1ccccc1SC 34a_100011216402_100000184674 [0,2,0,0,0,0|0,1,0]=3 6503 B12R1.121 C#CCOc1cccnc1OC 34a_100000698397_100000184674 [0,2,0,0,0,0|1,0,0]=3 6504 B12R1.121 C#CCOc1cccnc1OC 7a_100000698397_100000038162 [0,2,0,0,0,0|1,0,0]=3 6505 B12R1.121 C#CCOc1cnccc1OC 34a_100000101186_100000184674 [0,2,0,0,0,0|1,0,0]=3 6506 B12R1.121 C#CCOc1ncccc1OC 34a_100025773188_100000184674 [0,2,0,0,0,0|1,0,0]=3 6507 B12R1.121 C#CCSc1ccccc1CC 62a_100000038162_100011215823 [0,2,0,0,0,0|1,1,0]=4 6508 B12R1.121 C#CCSc1ccccc1NC 62a_100000038162_100020606079 [0,2,0,0,0,0|1,1,0]=4 6509 B12R1.121 C#CCSc1ccccc1OC 62a_100000038162_100000210334 [0,2,0,0,0,0|0,1,0]=3 6510 B12R1.121 C#CCSc1ccccc1SC 62a_100000038162_100011217816 [0,2,0,0,0,0|0,2,0]=4 6511 B12R1.121 C#CCSc1cccnc1OC 62a_100000038162_100000047025 [0,2,0,0,0,0|1,1,0]=4 6512 B12R1.121 C#CCSc1ccncc1OC 62a_100000038162_100016988167 [0,2,0,0,0,0|1,1,0]=4 6513 B12R1.121 C#CCSc1cnccc1OC 62a_100000038162_100011997281 [0,2,0,0,0,0|1,1,0]=4 6514 B12R1.121 C#CCSc1ncccc1OC 62a_100000038162_100000690851 [0,2,0,0,0,0|1,1,0]=4 6515 B12R1.121 C#Cc1ccccc1COCC 34a_100000054652_100000210202 [0,2,0,0,0,0|1,0,1]=4 6516 B12R1.121 C#Cc1ccccc1COCC 7a_100000054652_100000210202 [0,2,0,0,0,0|1,0,1]=4 6517 B12R1.121 C#Cc1ccccc1COCF 34a_100000054652_100015361967 [0,2,0,0,0,0|1,0,1]=4 6518 B12R1.121 C#Cc1ccccc1COCF 7a_100000054652_100015361967 [0,2,0,0,0,0|1,0,1]=4 6519 B12R1.121 C#Cc1ccccc1OCC#N 7a_200011470546_100011215382 [0,2,0,0,0,0|1,0,1]=4 6520 B12R1.121 C#Cc1ccccc1OCC=C 34a_200011470546_100015514636 [0,2,0,0,0,0|1,0,1]=4 6521 B12R1.121 C#Cc1ccccc1OCC=C 7a_200011470546_100015514636 [0,2,0,0,0,0|1,0,1]=4 6522 B12R1.121 C#Cc1ccccc1OCC=O 34a_200011470546_200009817547 [0,2,0,0,0,0|1,0,1]=4 6523 B12R1.121 C#Cc1ccccc1OCC=O 7a_200011470546_200015260668 [0,2,0,0,0,0|1,0,1]=4 6524 B12R1.121 C#Cc1ccccc1OCCC 34a_200011470546_100000210303 [0,2,0,0,0,0|1,0,1]=4 6525 B12R1.121 C#Cc1ccccc1OCCC 7a_200011470546_100000210303 [0,2,0,0,0,0|1,0,1]=4 6526 B12R1.121 C#Cc1ccccc1OCCF 34a_200011470546_100011217306 [0,2,0,0,0,0|1,0,1]=4 6527 B12R1.121 C#Cc1ccccc1OCCF 7a_200011470546_100011217306 [0,2,0,0,0,0|1,0,1]=4 6528 B12R1.121 C#Cc1ccccc1OCCO 34a_200011470546_100000211926 [0,2,0,0,0,0|1,0,1]=4 6529 B12R1.121 C#Cc1ccccc1OCCO 7a_200011470546_100000211926 [0,2,0,0,0,0|1,0,1]=4 6530 B12R1.121 C#Cc1ccccc1OCSC 34a_200011470546_100011218213 [0,2,0,0,0,0|1,0,1]=4 6531 B12R1.121 C=CCNc1ccccc1CC 2230a_100000212081_100000210623 [0,2,0,0,0,0|2,0,0]=4 6532 B12R1.121 C=CCNc1ccccc1CC 34a_100000212081_100015514636 [0,2,0,0,0,0|2,0,0]=4 6533 B12R1.121 C=CCNc1ccccc1CC 7a_100000212081_100015514636 [0,2,0,0,0,0|2,0,0]=4 6534 B12R1.121 C=CCNc1ccccc1OC 34a_100000210025_100015514636 [0,2,0,0,0,0|1,0,0]=3 6535 B12R1.121 C=CCNc1ccccc1SC 34a_100000211160_100015514636 [0,2,0,0,0,0|1,1,0]=4 6536 B12R1.121 C=CCOc1ccccc1C#N 34a_100000211048_100015514636 [0,2,0,0,0,0|2,0,0]=4 6537 B12R1.121 C=CCOc1ccccc1C#N 7a_100000211048_100015514636 [0,2,0,0,0,0|2,0,0]=4 6538 B12R1.121 C=CCOc1ccccc1CC 34a_100000210936_100015514636 [0,2,0,0,0,0|1,0,0]=3 6539 B12R1.121 C=CCOc1ccccc1CC 7a_100000210936_100015514636 [0,2,0,0,0,0|1,0,0]=3 6540 B12R1.121 C=CCOc1ccccc1CN 34a_100000185550_100015514636 [0,2,0,0,0,0|2,0,0]=4 6541 B12R1.121 C=CCOc1ccccc1CO 34a_100011216872_100015514636 [0,2,0,0,0,0|2,0,0]=4 6542 B12R1.121 C=CCOc1ccccc1NC 34a_100000033821_100015514636 [0,2,0,0,0,0|1,0,0]=3 6543 B12R1.121 C=CCOc1ccccc1OC 34a_100000210385_100015514636 [0,2,0,0,0,0|0,0,0]=2 6544 B12R1.121 C=CCOc1ccccc1OC 34a_200011262142_200000210301 [0,2,0,0,0,0|0,0,0]=2 6545 B12R1.121 C=CCOc1ccccc1OC 7a_200011262142_200000210301 [0,2,0,0,0,0|0,0,0]=2 6546 B12R1.121 C=CCOc1ccccc1O[13CH3] 34a_200011262142_200025704644 [0,2,0,0,0,0|0,0,0]=2 6547 B12R1.121 C=CCOc1ccccc1O[13CH3] 7a_200011262142_200025704644 [0,2,0,0,0,0|0,0,0]=2 6548 B12R1.121 C=CCOc1ccccc1SC 34a_100011216402_100015514636 [0,2,0,0,0,0|0,1,0]=3 6549 B12R1.121 C=CCOc1cccnc1OC 34a_100000698397_100015514636 [0,2,0,0,0,0|1,0,0]=3 6550 B12R1.121 C=CCOc1cccnc1OC 7a_100000698397_100015514636 [0,2,0,0,0,0|1,0,0]=3 6551 B12R1.121 C=CCOc1cnccc1OC 34a_100000101186_100015514636 [0,2,0,0,0,0|1,0,0]=3 6552 B12R1.121 C=CCOc1ncccc1OC 34a_100025773188_100015514636 [0,2,0,0,0,0|1,0,0]=3 6553 B12R1.121 C=CCSc1ccccc1CC 62a_100000210623_100011215823 [0,2,0,0,0,0|1,1,0]=4 6554 B12R1.121 C=CCSc1ccccc1CC 62a_100011215823_100000210623 [0,2,0,0,0,0|1,1,0]=4 6555 B12R1.121 C=CCSc1ccccc1NC 2230a_100000198565_200000210301 [0,2,0,0,0,0|1,1,0]=4 6556 B12R1.121 C=CCSc1ccccc1NC 62a_100000210623_100020606079 [0,2,0,0,0,0|1,1,0]=4 6557 B12R1.121 C=CCSc1ccccc1NC 62a_100020606079_100000210623 [0,2,0,0,0,0|1,1,0]=4 6558 B12R1.121 C=CCSc1ccccc1NC 7a_100000198565_200000210301 [0,2,0,0,0,0|1,1,0]=4 6559 B12R1.121 C=CCSc1ccccc1N[13CH3] 2230a_100000198565_200025704644 [0,2,0,0,0,0|1,1,0]=4 6560 B12R1.121 C=CCSc1ccccc1N[13CH3] 7a_100000198565_200025704644 [0,2,0,0,0,0|1,1,0]=4 6561 B12R1.121 C=CCSc1ccccc1OC 62a_100000210334_100000210623 [0,2,0,0,0,0|0,1,0]=3 6562 B12R1.121 C=CCSc1ccccc1OC 62a_100000210623_100000210334 [0,2,0,0,0,0|0,1,0]=3 6563 B12R1.121 C=CCSc1ccccc1SC 62a_100000210623_100011217816 [0,2,0,0,0,0|0,2,0]=4 6564 B12R1.121 C=CCSc1ccccc1SC 62a_100011217816_100000210623 [0,2,0,0,0,0|0,2,0]=4 6565 B12R1.121 C=CCSc1cccnc1OC 62a_100000047025_100000210623 [0,2,0,0,0,0|1,1,0]=4 6566 B12R1.121 C=CCSc1cccnc1OC 62a_100000210623_100000047025 [0,2,0,0,0,0|1,1,0]=4 6567 B12R1.121 C=CCSc1ccncc1OC 62a_100000210623_100016988167 [0,2,0,0,0,0|1,1,0]=4 6568 B12R1.121 C=CCSc1ccncc1OC 62a_100016988167_100000210623 [0,2,0,0,0,0|1,1,0]=4 6569 B12R1.121 C=CCSc1cnccc1OC 62a_100000210623_100011997281 [0,2,0,0,0,0|1,1,0]=4 6570 B12R1.121 C=CCSc1cnccc1OC 62a_100011997281_100000210623 [0,2,0,0,0,0|1,1,0]=4 6571 B12R1.121 C=CCSc1ncccc1OC 62a_100000210623_100000690851 [0,2,0,0,0,0|1,1,0]=4 6572 B12R1.121 C=CCSc1ncccc1OC 62a_100000767102_100000210623 [0,2,0,0,0,0|1,1,0]=4 6573 B12R1.121 C=Cc1ccccc1COCC 271570a_100011290941_200011493690 [0,2,0,0,0,0|1,0,1]=4 6574 B12R1.121 C=Cc1ccccc1COCC 34a_200010883148_100000210202 [0,2,0,0,0,0|1,0,1]=4 6575 B12R1.121 C=Cc1ccccc1COCC 7a_200010883148_100000210202 [0,2,0,0,0,0|1,0,1]=4 6576 B12R1.121 C=Cc1ccccc1COCF 34a_200010883148_100015361967 [0,2,0,0,0,0|1,0,1]=4 6577 B12R1.121 C=Cc1ccccc1COCF 7a_200010883148_100015361967 [0,2,0,0,0,0|1,0,1]=4 6578 B12R1.121 C=Cc1ccccc1OCC#N 271570a_100011290941_200000173881 [0,2,0,0,0,0|1,0,1]=4 6579 B12R1.121 C=Cc1ccccc1OCCC 271570a_100011290941_100000174042 [0,2,0,0,0,0|1,0,1]=4 6580 B12R1.121 C=Cc1ccccc1OCCN 271570a_100011290941_100000744007 [0,2,0,0,0,0|1,0,1]=4 6581 B12R1.121 C=Cc1ccccc1OCCO 271570a_100011290941_100000230753 [0,2,0,0,0,0|1,0,1]=4 6582 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [0,2,0,0,0,0|1,0,1]=4 6583 B12R1.121 C=Cc1ccccc1SCOC 62a_100000766300_100011218376 [0,2,0,0,0,0|1,0,1]=4 6584 B12R1.121 C=Cc1ccccc1SCOC 62a_100011218376_100000766300 [0,2,0,0,0,0|1,0,1]=4 6585 B12R1.121 CC=NNc1ccccc1CC 4a_100000737054_200000210099 [0,2,0,0,0,0|2,0,0]=4 6586 B12R1.121 CC=NNc1ccccc1OC 4a_100000751209_200000210099 [0,2,0,0,0,0|1,0,0]=3 6587 B12R1.121 CC=NNc1cccnc1OC 4a_100159270702_200000210099 [0,2,0,0,0,0|2,0,0]=4 6588 B12R1.121 CC=NNc1ncccc1OC 4a_100012020716_200000210099 [0,2,0,0,0,0|2,0,0]=4 6589 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [0,2,0,0,0,0|2,0,0]=4 6590 B12R1.121 CCCCc1ccccc1NC 2230a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 6591 B12R1.121 CCCCc1ccccc1NC 271570a_100020621405_100020606079 [0,2,0,0,0,0|2,0,0]=4 6592 B12R1.121 CCCCc1ccccc1NC 34a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 6593 B12R1.121 CCCCc1ccccc1NC 7a_200011217597_200000210301 [0,2,0,0,0,0|2,0,0]=4 6594 B12R1.121 CCCCc1ccccc1N[13CH3] 2230a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 6595 B12R1.121 CCCCc1ccccc1N[13CH3] 34a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 6596 B12R1.121 CCCCc1ccccc1N[13CH3] 7a_200011217597_200025704644 [0,2,0,0,0,0|2,0,0]=4 6597 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [0,2,0,0,0,0|1,0,0]=3 6598 B12R1.121 CCCCc1ccccc1SC 271570a_100020621405_100011217816 [0,2,0,0,0,0|1,1,0]=4 6599 B12R1.121 CCCCc1cccnc1OC 271570a_100020621405_100000047025 [0,2,0,0,0,0|2,0,0]=4 6600 B12R1.121 CCCCc1ccncc1OC 271570a_100020621405_100016988167 [0,2,0,0,0,0|2,0,0]=4 6601 B12R1.121 CCCCc1cnccc1OC 271570a_100020621405_100011997281 [0,2,0,0,0,0|2,0,0]=4 6602 B12R1.121 CCCCc1ncccc1OC 271570a_100020621405_100000690851 [0,2,0,0,0,0|2,0,0]=4 6603 B12R1.121 CCCNc1ccccc1CC 2230a_100000212081_100000210303 [0,2,0,0,0,0|2,0,0]=4 6604 B12R1.121 CCCNc1ccccc1CC 34a_100000212081_100000210303 [0,2,0,0,0,0|2,0,0]=4 6605 B12R1.121 CCCNc1ccccc1CC 7a_100000212081_100000210303 [0,2,0,0,0,0|2,0,0]=4 6606 B12R1.121 CCCNc1ccccc1OC 34a_100000210025_100000210303 [0,2,0,0,0,0|1,0,0]=3 6607 B12R1.121 CCCNc1ccccc1SC 34a_100000211160_100000210303 [0,2,0,0,0,0|1,1,0]=4 6608 B12R1.121 CCCOc1ccccc1C#N 34a_100000211048_100000210303 [0,2,0,0,0,0|2,0,0]=4 6609 B12R1.121 CCCOc1ccccc1C#N 7a_100000211048_100000210303 [0,2,0,0,0,0|2,0,0]=4 6610 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [0,2,0,0,0,0|1,0,0]=3 6611 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [0,2,0,0,0,0|1,0,0]=3 6612 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [0,2,0,0,0,0|2,0,0]=4 6613 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,2,0,0,0,0|2,0,0]=4 6614 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [0,2,0,0,0,0|1,0,0]=3 6615 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [0,2,0,0,0,0|1,0,0]=3 6616 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [0,2,0,0,0,0|1,0,0]=3 6617 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [0,2,0,0,0,0|1,0,0]=3 6618 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,2,0,0,0,0|0,0,0]=2 6619 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,2,0,0,0,0|0,0,0]=2 6620 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,2,0,0,0,0|0,0,0]=2 6621 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,2,0,0,0,0|0,0,0]=2 6622 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,2,0,0,0,0|0,0,0]=2 6623 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,2,0,0,0,0|0,1,0]=3 6624 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,2,0,0,0,0|0,1,0]=3 6625 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,2,0,0,0,0|0,1,0]=3 6626 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,2,0,0,0,0|0,1,0]=3 6627 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,2,0,0,0,0|0,1,0]=3 6628 B12R1.121 CCCOc1cccnc1OC 34a_100000698397_100000210303 [0,2,0,0,0,0|1,0,0]=3 6629 B12R1.121 CCCOc1cccnc1OC 7a_100000698397_100000210303 [0,2,0,0,0,0|1,0,0]=3 6630 B12R1.121 CCCOc1cnccc1OC 34a_100000101186_100000210303 [0,2,0,0,0,0|1,0,0]=3 6631 B12R1.121 CCCOc1ncccc1OC 34a_100025773188_100000210303 [0,2,0,0,0,0|1,0,0]=3 6632 B12R1.121 CCCOc1ncccc1SC 62a_200000210301_200011465209 [0,2,0,0,0,0|1,1,0]=4 6633 B12R1.121 CCCOc1ncccc1SC 62a_200011465209_200000210301 [0,2,0,0,0,0|1,1,0]=4 6634 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200011465209_200025704644 [0,2,0,0,0,0|1,1,0]=4 6635 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200025704644_200011465209 [0,2,0,0,0,0|1,1,0]=4 6636 B12R1.121 CCCSc1ccccc1CC 62a_100000210303_100011215823 [0,2,0,0,0,0|1,1,0]=4 6637 B12R1.121 CCCSc1ccccc1CC 62a_100011215823_100000210303 [0,2,0,0,0,0|1,1,0]=4 6638 B12R1.121 CCCSc1ccccc1NC 34a_100015184514_200000210301 [0,2,0,0,0,0|1,1,0]=4 6639 B12R1.121 CCCSc1ccccc1NC 62a_100000210303_100020606079 [0,2,0,0,0,0|1,1,0]=4 6640 B12R1.121 CCCSc1ccccc1NC 62a_100020606079_100000210303 [0,2,0,0,0,0|1,1,0]=4 6641 B12R1.121 CCCSc1ccccc1NC 7a_100015184514_200000210301 [0,2,0,0,0,0|1,1,0]=4 6642 B12R1.121 CCCSc1ccccc1N[13CH3] 34a_100015184514_200025704644 [0,2,0,0,0,0|1,1,0]=4 6643 B12R1.121 CCCSc1ccccc1N[13CH3] 7a_100015184514_200025704644 [0,2,0,0,0,0|1,1,0]=4 6644 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [0,2,0,0,0,0|0,1,0]=3 6645 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [0,2,0,0,0,0|0,1,0]=3 6646 B12R1.121 CCCSc1ccccc1SC 62a_100000210303_100011217816 [0,2,0,0,0,0|0,2,0]=4 6647 B12R1.121 CCCSc1ccccc1SC 62a_100011217816_100000210303 [0,2,0,0,0,0|0,2,0]=4 6648 B12R1.121 CCCSc1cccnc1OC 62a_100000047025_100000210303 [0,2,0,0,0,0|1,1,0]=4 6649 B12R1.121 CCCSc1cccnc1OC 62a_100000210303_100000047025 [0,2,0,0,0,0|1,1,0]=4 6650 B12R1.121 CCCSc1ccncc1OC 62a_100000210303_100016988167 [0,2,0,0,0,0|1,1,0]=4 6651 B12R1.121 CCCSc1ccncc1OC 62a_100016988167_100000210303 [0,2,0,0,0,0|1,1,0]=4 6652 B12R1.121 CCCSc1cnccc1OC 62a_100000210303_100011997281 [0,2,0,0,0,0|1,1,0]=4 6653 B12R1.121 CCCSc1cnccc1OC 62a_100011997281_100000210303 [0,2,0,0,0,0|1,1,0]=4 6654 B12R1.121 CCCSc1ncccc1OC 62a_100000210303_100000690851 [0,2,0,0,0,0|1,1,0]=4 6655 B12R1.121 CCCSc1ncccc1OC 62a_100000767102_100000210303 [0,2,0,0,0,0|1,1,0]=4 6656 B12R1.121 CCNCc1ccccc1CC 207a_100015525214_100011219594 [0,2,0,0,0,0|2,0,0]=4 6657 B12R1.121 CCNCc1ccccc1CC 270004a_100015525214_100011219594 [0,2,0,0,0,0|2,0,0]=4 6658 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [0,2,0,0,0,0|1,0,0]=3 6659 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [0,2,0,0,0,0|1,0,0]=3 6660 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [0,2,0,0,0,0|1,0,0]=3 6661 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [0,2,0,0,0,0|1,0,0]=3 6662 B12R1.121 CCNCc1ccccc1SC 207a_100015525214_100011217347 [0,2,0,0,0,0|1,1,0]=4 6663 B12R1.121 CCNCc1ccccc1SC 2230a_100015525214_100000699184 [0,2,0,0,0,0|1,1,0]=4 6664 B12R1.121 CCNCc1ccccc1SC 270004a_100015525214_100011217347 [0,2,0,0,0,0|1,1,0]=4 6665 B12R1.121 CCNCc1ccccc1SC 34a_102495365025_100000210202 [0,2,0,0,0,0|1,1,0]=4 6666 B12R1.121 CCNCc1cccnc1OC 207a_100015525214_100011290804 [0,2,0,0,0,0|2,0,0]=4 6667 B12R1.121 CCNCc1cccnc1OC 2230a_100015525214_100020631285 [0,2,0,0,0,0|2,0,0]=4 6668 B12R1.121 CCNCc1cccnc1OC 270004a_100015525214_100011290804 [0,2,0,0,0,0|2,0,0]=4 6669 B12R1.121 CCNCc1ccncc1OC 207a_100015525214_100011361505 [0,2,0,0,0,0|2,0,0]=4 6670 B12R1.121 CCNCc1ccncc1OC 2230a_100015525214_100020635607 [0,2,0,0,0,0|2,0,0]=4 6671 B12R1.121 CCNCc1ccncc1OC 270004a_100015525214_100011361505 [0,2,0,0,0,0|2,0,0]=4 6672 B12R1.121 CCNCc1cnccc1OC 207a_100015525214_200011997045 [0,2,0,0,0,0|2,0,0]=4 6673 B12R1.121 CCNCc1cnccc1OC 270004a_100015525214_200011997045 [0,2,0,0,0,0|2,0,0]=4 6674 B12R1.121 CCNCc1ncccc1OC 207a_100015525214_100011912573 [0,2,0,0,0,0|2,0,0]=4 6675 B12R1.121 CCNCc1ncccc1OC 270004a_100015525214_100011912573 [0,2,0,0,0,0|2,0,0]=4 6676 B12R1.121 CCOCc1ccccc1C#N 34a_100121572206_100000181865 [0,2,0,0,0,0|2,0,0]=4 6677 B12R1.121 CCOCc1ccccc1C#N 34a_200011269968_100000210202 [0,2,0,0,0,0|2,0,0]=4 6678 B12R1.121 CCOCc1ccccc1C#N 7a_200011269968_100000210202 [0,2,0,0,0,0|2,0,0]=4 6679 B12R1.121 CCOCc1ccccc1C=O 34a_100121572206_200009853537 [0,2,0,0,0,0|2,0,0]=4 6680 B12R1.121 CCOCc1ccccc1CBr 34a_100009816955_100000210202 [0,2,0,0,0,0|2,0,0]=4 6681 B12R1.121 CCOCc1ccccc1CBr 7a_100009816955_100000210202 [0,2,0,0,0,0|2,0,0]=4 6682 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [0,2,0,0,0,0|1,0,0]=3 6683 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [0,2,0,0,0,0|1,0,0]=3 6684 B12R1.121 CCOCc1ccccc1CN 34a_100000743596_100000210202 [0,2,0,0,0,0|2,0,0]=4 6685 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [0,2,0,0,0,0|2,0,0]=4 6686 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [0,2,0,0,0,0|0,0,0]=2 6687 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [0,2,0,0,0,0|0,0,0]=2 6688 B12R1.121 CCOCc1ccccc1SC 34a_100000699167_100000210202 [0,2,0,0,0,0|0,1,0]=3 6689 B12R1.121 CCOCc1ccccc1SC 34a_100121572206_100000699184 [0,2,0,0,0,0|0,1,0]=3 6690 B12R1.121 CCOCc1ccccc1SC 62a_200000210301_200011493690 [0,2,0,0,0,0|0,1,0]=3 6691 B12R1.121 CCOCc1ccccc1SC 62a_200011493690_200000210301 [0,2,0,0,0,0|0,1,0]=3 6692 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200011493690_200025704644 [0,2,0,0,0,0|0,1,0]=3 6693 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200025704644_200011493690 [0,2,0,0,0,0|0,1,0]=3 6694 B12R1.121 CCOCc1cccnc1OC 34a_100000717863_100000210202 [0,2,0,0,0,0|1,0,0]=3 6695 B12R1.121 CCOCc1cccnc1OC 34a_100121572206_100020631285 [0,2,0,0,0,0|1,0,0]=3 6696 B12R1.121 CCOCc1ncccc1OC 34a_100011998681_100000210202 [0,2,0,0,0,0|1,0,0]=3 6697 B12R1.121 CCSCc1ccccc1OC 62a_100000210004_100000210202 [0,2,0,0,0,0|0,1,0]=3 6698 B12R1.121 CCSCc1ccccc1OC 62a_100000210202_100000210004 [0,2,0,0,0,0|0,1,0]=3 6699 B12R1.121 CCSCc1ccccc1SC 62a_100000210202_100000699184 [0,2,0,0,0,0|0,2,0]=4 6700 B12R1.121 CCSCc1ccccc1SC 62a_100000699184_100000210202 [0,2,0,0,0,0|0,2,0]=4 6701 B12R1.121 CCSCc1ccccc1SC 62a_200000173030_200000210301 [0,2,0,0,0,0|0,2,0]=4 6702 B12R1.121 CCSCc1ccccc1SC 62a_200000210301_200000173030 [0,2,0,0,0,0|0,2,0]=4 6703 B12R1.121 CCSCc1ccccc1S[13CH3] 62a_200000173030_200025704644 [0,2,0,0,0,0|0,2,0]=4 6704 B12R1.121 CCSCc1ccccc1S[13CH3] 62a_200025704644_200000173030 [0,2,0,0,0,0|0,2,0]=4 6705 B12R1.121 CCSCc1cccnc1OC 62a_100000210202_100020631285 [0,2,0,0,0,0|1,1,0]=4 6706 B12R1.121 CCSCc1cccnc1OC 62a_100020631285_100000210202 [0,2,0,0,0,0|1,1,0]=4 6707 B12R1.121 CCSCc1ccncc1OC 62a_100000210202_100020635607 [0,2,0,0,0,0|1,1,0]=4 6708 B12R1.121 CCSCc1ccncc1OC 62a_100020635607_100000210202 [0,2,0,0,0,0|1,1,0]=4 6709 B12R1.121 CCc1ccccc1CCNC 2230a_100011663701_200000210301 [0,2,0,0,0,0|2,0,0]=4 6710 B12R1.121 CCc1ccccc1CCNC 34a_100011663701_200000210301 [0,2,0,0,0,0|2,0,0]=4 6711 B12R1.121 CCc1ccccc1CCN[13CH3] 2230a_100011663701_200025704644 [0,2,0,0,0,0|2,0,0]=4 6712 B12R1.121 CCc1ccccc1CCN[13CH3] 34a_100011663701_200025704644 [0,2,0,0,0,0|2,0,0]=4 6713 B12R1.121 CCc1ccccc1COCF 34a_100011663872_100015361967 [0,2,0,0,0,0|1,0,0]=3 6714 B12R1.121 CCc1ccccc1COCF 7a_100011663872_100015361967 [0,2,0,0,0,0|1,0,0]=3 6715 B12R1.121 CCc1ccccc1NCC#N 2230a_100000212081_100011215382 [0,2,0,0,0,0|2,0,0]=4 6716 B12R1.121 CCc1ccccc1NCC#N 7a_100000212081_100011215382 [0,2,0,0,0,0|2,0,0]=4 6717 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [0,2,0,0,0,0|2,0,0]=4 6718 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.121 CCc1ccccc1NCCF 2230a_100000212081_100011217306 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.121 CCc1ccccc1NCCF 34a_100000212081_100011217306 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.121 CCc1ccccc1NCCF 7a_100000212081_100011217306 [0,2,0,0,0,0|2,0,0]=4 6723 B12R1.121 CCc1ccccc1NCCO 2230a_100000212081_100000211926 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.121 CCc1ccccc1NCCO 34a_100000212081_100000211926 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.121 CCc1ccccc1NCCO 7a_100000212081_100000211926 [0,2,0,0,0,0|2,0,0]=4 6726 B12R1.121 CCc1ccccc1NCOC 2230a_100000212081_100000766300 [0,2,0,0,0,0|1,0,0]=3 6727 B12R1.121 CCc1ccccc1NCSC 2230a_100000212081_100011218213 [0,2,0,0,0,0|1,1,0]=4 6728 B12R1.121 CCc1ccccc1NCSC 34a_100000212081_100011218213 [0,2,0,0,0,0|1,1,0]=4 6729 B12R1.121 CCc1ccccc1OCC#N 7a_100000210936_100011215382 [0,2,0,0,0,0|1,0,0]=3 6730 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,2,0,0,0,0|1,0,0]=3 6731 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,2,0,0,0,0|1,0,0]=3 6732 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [0,2,0,0,0,0|1,0,0]=3 6733 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [0,2,0,0,0,0|1,0,0]=3 6734 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [0,2,0,0,0,0|1,0,0]=3 6735 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [0,2,0,0,0,0|1,0,0]=3 6736 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [0,2,0,0,0,0|1,0,0]=3 6737 B12R1.121 CCc1ccccc1SCC#N 62a_100011215382_100011215823 [0,2,0,0,0,0|1,1,0]=4 6738 B12R1.121 CCc1ccccc1SCC#N 62a_100011215823_100011215382 [0,2,0,0,0,0|1,1,0]=4 6739 B12R1.121 CCc1ccccc1SCC=O 62a_100011215823_200015260668 [0,2,0,0,0,0|1,1,0]=4 6740 B12R1.121 CCc1ccccc1SCC=O 62a_200015260668_100011215823 [0,2,0,0,0,0|1,1,0]=4 6741 B12R1.121 CCc1ccccc1SCCF 62a_100011215823_100011217306 [0,2,0,0,0,0|1,1,0]=4 6742 B12R1.121 CCc1ccccc1SCCF 62a_100011217306_100011215823 [0,2,0,0,0,0|1,1,0]=4 6743 B12R1.121 CCc1ccccc1SCCO 62a_100000211926_100011215823 [0,2,0,0,0,0|1,1,0]=4 6744 B12R1.121 CCc1ccccc1SCCO 62a_100011215823_100000211926 [0,2,0,0,0,0|1,1,0]=4 6745 B12R1.121 CCc1ccccc1SCOC 62a_100000766300_100011215823 [0,2,0,0,0,0|1,0,0]=3 6746 B12R1.121 CCc1ccccc1SCOC 62a_100011215823_100000766300 [0,2,0,0,0,0|1,0,0]=3 6747 B12R1.121 CCc1ccccc1SCSC 62a_100011215823_100011218213 [0,2,0,0,0,0|1,1,0]=4 6748 B12R1.121 CCc1ccccc1SCSC 62a_100011218213_100011215823 [0,2,0,0,0,0|1,1,0]=4 6749 B12R1.121 CCc1ccncc1SCOC 62a_100000766300_100009819861 [0,2,0,0,0,0|2,0,0]=4 6750 B12R1.121 CCc1ccncc1SCOC 62a_100009819861_100000766300 [0,2,0,0,0,0|2,0,0]=4 6751 B12R1.121 CCc1cnccc1SCOC 62a_100000766300_100025704421 [0,2,0,0,0,0|2,0,0]=4 6752 B12R1.121 CCc1cnccc1SCOC 62a_100025704421_100000766300 [0,2,0,0,0,0|2,0,0]=4 6753 B12R1.121 CCc1ncccc1SCOC 62a_100000766300_100009877225 [0,2,0,0,0,0|2,0,0]=4 6754 B12R1.121 CCc1ncccc1SCOC 62a_100009877225_100000766300 [0,2,0,0,0,0|2,0,0]=4 6755 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [0,2,0,0,0,0|1,0,0]=3 6756 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [0,2,0,0,0,0|1,0,0]=3 6757 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [0,2,0,0,0,0|1,0,0]=3 6758 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [0,2,0,0,0,0|1,0,0]=3 6759 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [0,2,0,0,0,0|1,0,0]=3 6760 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [0,2,0,0,0,0|1,0,0]=3 6761 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [0,2,0,0,0,0|1,0,0]=3 6762 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [0,2,0,0,0,0|1,0,0]=3 6763 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [0,2,0,0,0,0|1,0,0]=3 6764 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [0,2,0,0,0,0|1,0,0]=3 6765 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [0,2,0,0,0,0|1,0,0]=3 6766 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [0,2,0,0,0,0|1,0,0]=3 6767 B12R1.121 CNc1ccccc1SCC#N 62a_100011215382_100020606079 [0,2,0,0,0,0|1,1,0]=4 6768 B12R1.121 CNc1ccccc1SCC#N 62a_100020606079_100011215382 [0,2,0,0,0,0|1,1,0]=4 6769 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [0,2,0,0,0,0|1,1,0]=4 6770 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [0,2,0,0,0,0|1,1,0]=4 6771 B12R1.121 CNc1ccccc1SCCF 62a_100011217306_100020606079 [0,2,0,0,0,0|1,1,0]=4 6772 B12R1.121 CNc1ccccc1SCCF 62a_100020606079_100011217306 [0,2,0,0,0,0|1,1,0]=4 6773 B12R1.121 CNc1ccccc1SCCO 62a_100000211926_100020606079 [0,2,0,0,0,0|1,1,0]=4 6774 B12R1.121 CNc1ccccc1SCCO 62a_100020606079_100000211926 [0,2,0,0,0,0|1,1,0]=4 6775 B12R1.121 CNc1ccccc1SCOC 62a_100000766300_100020606079 [0,2,0,0,0,0|1,0,0]=3 6776 B12R1.121 CNc1ccccc1SCOC 62a_100020606079_100000766300 [0,2,0,0,0,0|1,0,0]=3 6777 B12R1.121 CNc1ccccc1SCSC 62a_100011218213_100020606079 [0,2,0,0,0,0|1,1,0]=4 6778 B12R1.121 CNc1ccccc1SCSC 62a_100020606079_100011218213 [0,2,0,0,0,0|1,1,0]=4 6779 B12R1.121 CNc1cccnc1SCOC 62a_100000766300_200011806188 [0,2,0,0,0,0|2,0,0]=4 6780 B12R1.121 CNc1ccncc1SCOC 62a_100000766300_100010069531 [0,2,0,0,0,0|2,0,0]=4 6781 B12R1.121 CNc1ccncc1SCOC 62a_100010069531_100000766300 [0,2,0,0,0,0|2,0,0]=4 6782 B12R1.121 CNc1ncccc1OCCF 27a_100102657272_100012814765 [0,2,0,0,0,0|2,0,0]=4 6783 B12R1.121 CNc1ncccc1SCOC 62a_100000700899_100000766300 [0,2,0,0,0,0|2,0,0]=4 6784 B12R1.121 CNc1ncccc1SCOC 62a_100000766300_100000700899 [0,2,0,0,0,0|2,0,0]=4 6785 B12R1.121 COCCc1ccccc1C#N 34a_100138415774_200013032965 [0,2,0,0,0,0|2,0,0]=4 6786 B12R1.121 COCCc1ccccc1C=O 34a_100138415774_100010186698 [0,2,0,0,0,0|2,0,0]=4 6787 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [0,2,0,0,0,0|0,0,0]=2 6788 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [0,2,0,0,0,0|0,0,0]=2 6789 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [0,2,0,0,0,0|0,0,0]=2 6790 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [0,2,0,0,0,0|0,0,0]=2 6791 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [0,2,0,0,0,0|0,0,0]=2 6792 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [0,2,0,0,0,0|0,0,0]=2 6793 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [0,2,0,0,0,0|0,0,0]=2 6794 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [0,2,0,0,0,0|0,1,0]=3 6795 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [0,2,0,0,0,0|0,1,0]=3 6796 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [0,2,0,0,0,0|0,1,0]=3 6797 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [0,2,0,0,0,0|0,1,0]=3 6798 B12R1.121 COCOc1cccnc1SC 62a_100011935308_200000210301 [0,2,0,0,0,0|1,1,0]=4 6799 B12R1.121 COCOc1cccnc1SC 62a_200000210301_100011935308 [0,2,0,0,0,0|1,1,0]=4 6800 B12R1.121 COCOc1cccnc1S[13CH3] 62a_100011935308_200025704644 [0,2,0,0,0,0|1,1,0]=4 6801 B12R1.121 COCOc1cccnc1S[13CH3] 62a_200025704644_100011935308 [0,2,0,0,0,0|1,1,0]=4 6802 B12R1.121 COCSc1ccccc1C#N 62a_100000766300_100000188569 [0,2,0,0,0,0|2,0,0]=4 6803 B12R1.121 COCSc1ccccc1C=O 62a_100000210073_100000766300 [0,2,0,0,0,0|2,0,0]=4 6804 B12R1.121 COCSc1ccccc1C=O 62a_100000766300_100000210073 [0,2,0,0,0,0|2,0,0]=4 6805 B12R1.121 COCSc1ccccc1CN 62a_100000689332_100000766300 [0,2,0,0,0,0|2,0,0]=4 6806 B12R1.121 COCSc1ccccc1CN 62a_100000766300_100000689332 [0,2,0,0,0,0|2,0,0]=4 6807 B12R1.121 COCSc1ccccc1CO 62a_100000187465_100000766300 [0,2,0,0,0,0|2,0,0]=4 6808 B12R1.121 COCSc1ccccc1CO 62a_100000766300_100000187465 [0,2,0,0,0,0|2,0,0]=4 6809 B12R1.121 COCSc1ccccc1NN 62a_100000241748_100000766300 [0,2,0,0,0,0|2,0,0]=4 6810 B12R1.121 COCSc1ccccc1NN 62a_100000766300_100000241748 [0,2,0,0,0,0|2,0,0]=4 6811 B12R1.121 COCSc1ccccc1OC 62a_100000210334_100000766300 [0,2,0,0,0,0|0,0,0]=2 6812 B12R1.121 COCSc1ccccc1OC 62a_100000766300_100000210334 [0,2,0,0,0,0|0,0,0]=2 6813 B12R1.121 COCSc1ccccc1SC 62a_100000766300_100011217816 [0,2,0,0,0,0|0,1,0]=3 6814 B12R1.121 COCSc1ccccc1SC 62a_100011217816_100000766300 [0,2,0,0,0,0|0,1,0]=3 6815 B12R1.121 COCSc1cccnc1OC 62a_100000047025_100000766300 [0,2,0,0,0,0|1,0,0]=3 6816 B12R1.121 COCSc1cccnc1OC 62a_100000766300_100000047025 [0,2,0,0,0,0|1,0,0]=3 6817 B12R1.121 COCSc1cccnc1SC 62a_100000766300_100011465278 [0,2,0,0,0,0|1,1,0]=4 6818 B12R1.121 COCSc1cccnc1SC 62a_100011465278_100000766300 [0,2,0,0,0,0|1,1,0]=4 6819 B12R1.121 COCSc1ccncc1OC 62a_100000766300_100016988167 [0,2,0,0,0,0|1,0,0]=3 6820 B12R1.121 COCSc1ccncc1OC 62a_100016988167_100000766300 [0,2,0,0,0,0|1,0,0]=3 6821 B12R1.121 COCSc1cnccc1OC 62a_100000766300_100011997281 [0,2,0,0,0,0|1,0,0]=3 6822 B12R1.121 COCSc1cnccc1OC 62a_100011997281_100000766300 [0,2,0,0,0,0|1,0,0]=3 6823 B12R1.121 COCSc1cncnc1OC 62a_100000719902_100000766300 [0,2,0,0,0,0|2,0,0]=4 6824 B12R1.121 COCSc1cncnc1OC 62a_100000766300_100000719902 [0,2,0,0,0,0|2,0,0]=4 6825 B12R1.121 COCSc1ncccc1OC 62a_100000766300_100000690851 [0,2,0,0,0,0|1,0,0]=3 6826 B12R1.121 COCSc1ncccc1OC 62a_100000767102_100000766300 [0,2,0,0,0,0|1,0,0]=3 6827 B12R1.121 COCSc1nccnc1OC 62a_100000766300_100000749998 [0,2,0,0,0,0|2,0,0]=4 6828 B12R1.121 COCSc1nccnc1OC 62a_100009858322_100000766300 [0,2,0,0,0,0|2,0,0]=4 6829 B12R1.121 COCSc1ncncc1OC 62a_100000766300_100012001275 [0,2,0,0,0,0|2,0,0]=4 6830 B12R1.121 COCSc1ncncc1OC 62a_100012001275_100000766300 [0,2,0,0,0,0|2,0,0]=4 6831 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [0,2,0,0,0,0|1,0,0]=3 6832 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [0,2,0,0,0,0|1,0,0]=3 6833 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [0,2,0,0,0,0|0,0,0]=2 6834 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [0,2,0,0,0,0|0,0,0]=2 6835 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [0,2,0,0,0,0|0,1,0]=3 6836 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [0,2,0,0,0,0|0,1,0]=3 6837 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [0,2,0,0,0,0|0,1,0]=3 6838 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [0,2,0,0,0,0|0,1,0]=3 6839 B12R1.121 COc1ccccc1CNCF 34a_100000188900_100015361967 [0,2,0,0,0,0|1,0,0]=3 6840 B12R1.121 COc1ccccc1COCF 34a_100000211301_100015361967 [0,2,0,0,0,0|0,0,0]=2 6841 B12R1.121 COc1ccccc1CSCF 62a_100000210004_100015361967 [0,2,0,0,0,0|0,1,0]=3 6842 B12R1.121 COc1ccccc1CSCF 62a_100015361967_100000210004 [0,2,0,0,0,0|0,1,0]=3 6843 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [0,2,0,0,0,0|1,0,0]=3 6844 B12R1.121 COc1ccccc1NCCF 34a_100000210025_100011217306 [0,2,0,0,0,0|1,0,0]=3 6845 B12R1.121 COc1ccccc1NCCO 34a_100000210025_100000211926 [0,2,0,0,0,0|1,0,0]=3 6846 B12R1.121 COc1ccccc1NCSC 34a_100000210025_100011218213 [0,2,0,0,0,0|0,1,0]=3 6847 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [0,2,0,0,0,0|0,0,0]=2 6848 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [0,2,0,0,0,0|0,0,0]=2 6849 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [0,2,0,0,0,0|0,0,0]=2 6850 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [0,2,0,0,0,0|0,0,0]=2 6851 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [0,2,0,0,0,0|0,0,0]=2 6852 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [0,2,0,0,0,0|0,0,0]=2 6853 B12R1.121 COc1ccccc1SCC#N 62a_100000210334_100011215382 [0,2,0,0,0,0|0,1,0]=3 6854 B12R1.121 COc1ccccc1SCC#N 62a_100011215382_100000210334 [0,2,0,0,0,0|0,1,0]=3 6855 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [0,2,0,0,0,0|0,1,0]=3 6856 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [0,2,0,0,0,0|0,1,0]=3 6857 B12R1.121 COc1ccccc1SCCF 62a_100000210334_100011217306 [0,2,0,0,0,0|0,1,0]=3 6858 B12R1.121 COc1ccccc1SCCF 62a_100011217306_100000210334 [0,2,0,0,0,0|0,1,0]=3 6859 B12R1.121 COc1ccccc1SCCO 62a_100000210334_100000211926 [0,2,0,0,0,0|0,1,0]=3 6860 B12R1.121 COc1ccccc1SCCO 62a_100000211926_100000210334 [0,2,0,0,0,0|0,1,0]=3 6861 B12R1.121 COc1ccccc1SCSC 62a_100000210334_100011218213 [0,2,0,0,0,0|0,1,0]=3 6862 B12R1.121 COc1ccccc1SCSC 62a_100011218213_100000210334 [0,2,0,0,0,0|0,1,0]=3 6863 B12R1.121 COc1cccnc1COCF 34a_100011998681_100015361967 [0,2,0,0,0,0|1,0,0]=3 6864 B12R1.121 COc1cccnc1OCC=O 34a_100025773188_200009817547 [0,2,0,0,0,0|1,0,0]=3 6865 B12R1.121 COc1cccnc1OCCF 34a_100025773188_100011217306 [0,2,0,0,0,0|1,0,0]=3 6866 B12R1.121 COc1cccnc1OCCO 34a_100025773188_100000211926 [0,2,0,0,0,0|1,0,0]=3 6867 B12R1.121 COc1cccnc1OCSC 34a_100025773188_100011218213 [0,2,0,0,0,0|1,0,0]=3 6868 B12R1.121 COc1cccnc1SCC#N 62a_100000767102_100011215382 [0,2,0,0,0,0|1,1,0]=4 6869 B12R1.121 COc1cccnc1SCC#N 62a_100011215382_100000690851 [0,2,0,0,0,0|1,1,0]=4 6870 B12R1.121 COc1cccnc1SCC=O 62a_100000767102_200015260668 [0,2,0,0,0,0|1,1,0]=4 6871 B12R1.121 COc1cccnc1SCC=O 62a_200015260668_100000690851 [0,2,0,0,0,0|1,1,0]=4 6872 B12R1.121 COc1cccnc1SCCF 62a_100000767102_100011217306 [0,2,0,0,0,0|1,1,0]=4 6873 B12R1.121 COc1cccnc1SCCF 62a_100011217306_100000690851 [0,2,0,0,0,0|1,1,0]=4 6874 B12R1.121 COc1cccnc1SCCO 62a_100000211926_100000690851 [0,2,0,0,0,0|1,1,0]=4 6875 B12R1.121 COc1cccnc1SCCO 62a_100000767102_100000211926 [0,2,0,0,0,0|1,1,0]=4 6876 B12R1.121 COc1cccnc1SCSC 62a_100000767102_100011218213 [0,2,0,0,0,0|1,1,0]=4 6877 B12R1.121 COc1cccnc1SCSC 62a_100011218213_100000690851 [0,2,0,0,0,0|1,1,0]=4 6878 B12R1.121 COc1ccncc1OCC=O 34a_100000101186_200009817547 [0,2,0,0,0,0|1,0,0]=3 6879 B12R1.121 COc1ccncc1OCCF 34a_100000101186_100011217306 [0,2,0,0,0,0|1,0,0]=3 6880 B12R1.121 COc1ccncc1OCCO 34a_100000101186_100000211926 [0,2,0,0,0,0|1,0,0]=3 6881 B12R1.121 COc1ccncc1OCSC 34a_100000101186_100011218213 [0,2,0,0,0,0|1,0,0]=3 6882 B12R1.121 COc1ccncc1SCC#N 62a_100011215382_100011997281 [0,2,0,0,0,0|1,1,0]=4 6883 B12R1.121 COc1ccncc1SCC#N 62a_100011997281_100011215382 [0,2,0,0,0,0|1,1,0]=4 6884 B12R1.121 COc1ccncc1SCC=O 62a_100011997281_200015260668 [0,2,0,0,0,0|1,1,0]=4 6885 B12R1.121 COc1ccncc1SCC=O 62a_200015260668_100011997281 [0,2,0,0,0,0|1,1,0]=4 6886 B12R1.121 COc1ccncc1SCCF 62a_100011217306_100011997281 [0,2,0,0,0,0|1,1,0]=4 6887 B12R1.121 COc1ccncc1SCCF 62a_100011997281_100011217306 [0,2,0,0,0,0|1,1,0]=4 6888 B12R1.121 COc1ccncc1SCCO 62a_100000211926_100011997281 [0,2,0,0,0,0|1,1,0]=4 6889 B12R1.121 COc1ccncc1SCCO 62a_100011997281_100000211926 [0,2,0,0,0,0|1,1,0]=4 6890 B12R1.121 COc1ccncc1SCSC 62a_100011218213_100011997281 [0,2,0,0,0,0|1,1,0]=4 6891 B12R1.121 COc1ccncc1SCSC 62a_100011997281_100011218213 [0,2,0,0,0,0|1,1,0]=4 6892 B12R1.121 COc1cnccc1CSCF 62a_100015361967_100020635607 [0,2,0,0,0,0|1,1,0]=4 6893 B12R1.121 COc1cnccc1CSCF 62a_100020635607_100015361967 [0,2,0,0,0,0|1,1,0]=4 6894 B12R1.121 COc1cnccc1SCC#N 62a_100011215382_100016988167 [0,2,0,0,0,0|1,1,0]=4 6895 B12R1.121 COc1cnccc1SCC#N 62a_100016988167_100011215382 [0,2,0,0,0,0|1,1,0]=4 6896 B12R1.121 COc1cnccc1SCC=O 62a_100016988167_200015260668 [0,2,0,0,0,0|1,1,0]=4 6897 B12R1.121 COc1cnccc1SCC=O 62a_200015260668_100016988167 [0,2,0,0,0,0|1,1,0]=4 6898 B12R1.121 COc1cnccc1SCCF 62a_100011217306_100016988167 [0,2,0,0,0,0|1,1,0]=4 6899 B12R1.121 COc1cnccc1SCCF 62a_100016988167_100011217306 [0,2,0,0,0,0|1,1,0]=4 6900 B12R1.121 COc1cnccc1SCCO 62a_100000211926_100016988167 [0,2,0,0,0,0|1,1,0]=4 6901 B12R1.121 COc1cnccc1SCCO 62a_100016988167_100000211926 [0,2,0,0,0,0|1,1,0]=4 6902 B12R1.121 COc1cnccc1SCSC 62a_100011218213_100016988167 [0,2,0,0,0,0|1,1,0]=4 6903 B12R1.121 COc1cnccc1SCSC 62a_100016988167_100011218213 [0,2,0,0,0,0|1,1,0]=4 6904 B12R1.121 COc1ncccc1COCF 34a_100000717863_100015361967 [0,2,0,0,0,0|1,0,0]=3 6905 B12R1.121 COc1ncccc1CSCF 62a_100015361967_100020631285 [0,2,0,0,0,0|1,1,0]=4 6906 B12R1.121 COc1ncccc1CSCF 62a_100020631285_100015361967 [0,2,0,0,0,0|1,1,0]=4 6907 B12R1.121 COc1ncccc1OCC#N 7a_100000698397_100011215382 [0,2,0,0,0,0|1,0,0]=3 6908 B12R1.121 COc1ncccc1OCC=O 34a_100000698397_200009817547 [0,2,0,0,0,0|1,0,0]=3 6909 B12R1.121 COc1ncccc1OCC=O 7a_100000698397_200015260668 [0,2,0,0,0,0|1,0,0]=3 6910 B12R1.121 COc1ncccc1OCCF 34a_100000698397_100011217306 [0,2,0,0,0,0|1,0,0]=3 6911 B12R1.121 COc1ncccc1OCCF 7a_100000698397_100011217306 [0,2,0,0,0,0|1,0,0]=3 6912 B12R1.121 COc1ncccc1OCCO 34a_100000698397_100000211926 [0,2,0,0,0,0|1,0,0]=3 6913 B12R1.121 COc1ncccc1OCCO 7a_100000698397_100000211926 [0,2,0,0,0,0|1,0,0]=3 6914 B12R1.121 COc1ncccc1OCSC 34a_100000698397_100011218213 [0,2,0,0,0,0|1,0,0]=3 6915 B12R1.121 COc1ncccc1SCC#N 62a_100000047025_100011215382 [0,2,0,0,0,0|1,1,0]=4 6916 B12R1.121 COc1ncccc1SCC#N 62a_100011215382_100000047025 [0,2,0,0,0,0|1,1,0]=4 6917 B12R1.121 COc1ncccc1SCC=O 62a_100000047025_200015260668 [0,2,0,0,0,0|1,1,0]=4 6918 B12R1.121 COc1ncccc1SCC=O 62a_200015260668_100000047025 [0,2,0,0,0,0|1,1,0]=4 6919 B12R1.121 COc1ncccc1SCCF 62a_100000047025_100011217306 [0,2,0,0,0,0|1,1,0]=4 6920 B12R1.121 COc1ncccc1SCCF 62a_100011217306_100000047025 [0,2,0,0,0,0|1,1,0]=4 6921 B12R1.121 COc1ncccc1SCCO 62a_100000047025_100000211926 [0,2,0,0,0,0|1,1,0]=4 6922 B12R1.121 COc1ncccc1SCCO 62a_100000211926_100000047025 [0,2,0,0,0,0|1,1,0]=4 6923 B12R1.121 COc1ncccc1SCSC 62a_100000047025_100011218213 [0,2,0,0,0,0|1,1,0]=4 6924 B12R1.121 COc1ncccc1SCSC 62a_100011218213_100000047025 [0,2,0,0,0,0|1,1,0]=4 6925 B12R1.121 CSCNc1ccccc1SC 34a_100000211160_100011218213 [0,2,0,0,0,0|0,2,0]=4 6926 B12R1.121 CSCOc1ccccc1C#N 34a_100000211048_100011218213 [0,2,0,0,0,0|2,0,0]=4 6927 B12R1.121 CSCOc1ccccc1CN 34a_100000185550_100011218213 [0,2,0,0,0,0|2,0,0]=4 6928 B12R1.121 CSCOc1ccccc1CO 34a_100011216872_100011218213 [0,2,0,0,0,0|2,0,0]=4 6929 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [0,2,0,0,0,0|0,1,0]=3 6930 B12R1.121 CSCSc1ccccc1SC 62a_100011217816_100011218213 [0,2,0,0,0,0|0,2,0]=4 6931 B12R1.121 CSCSc1ccccc1SC 62a_100011218213_100011217816 [0,2,0,0,0,0|0,2,0]=4 6932 B12R1.121 CSc1ccccc1C#CCO 62a_100009814404_200000210301 [0,2,0,0,0,0|1,1,0]=4 6933 B12R1.121 CSc1ccccc1C#CCO 62a_200000210301_100009814404 [0,2,0,0,0,0|1,1,0]=4 6934 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [0,2,0,0,0,0|1,1,0]=4 6935 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [0,2,0,0,0,0|1,1,0]=4 6936 B12R1.121 CSc1ccccc1CCCO 62a_100000699526_200000210301 [0,2,0,0,0,0|1,1,0]=4 6937 B12R1.121 CSc1ccccc1CCCO 62a_200000210301_100000699526 [0,2,0,0,0,0|1,1,0]=4 6938 B12R1.121 CSc1ccccc1CNCF 34a_102495365025_100015361967 [0,2,0,0,0,0|1,1,0]=4 6939 B12R1.121 CSc1ccccc1COCF 34a_100000699167_100015361967 [0,2,0,0,0,0|0,1,0]=3 6940 B12R1.121 CSc1ccccc1CSCF 62a_100000699184_100015361967 [0,2,0,0,0,0|0,2,0]=4 6941 B12R1.121 CSc1ccccc1CSCF 62a_100015361967_100000699184 [0,2,0,0,0,0|0,2,0]=4 6942 B12R1.121 CSc1ccccc1NCC=O 34a_100000211160_200009817547 [0,2,0,0,0,0|1,1,0]=4 6943 B12R1.121 CSc1ccccc1NCCF 34a_100000211160_100011217306 [0,2,0,0,0,0|1,1,0]=4 6944 B12R1.121 CSc1ccccc1NCCO 34a_100000211160_100000211926 [0,2,0,0,0,0|1,1,0]=4 6945 B12R1.121 CSc1ccccc1OCC#N 62a_200000173881_200000210301 [0,2,0,0,0,0|0,1,0]=3 6946 B12R1.121 CSc1ccccc1OCC#N 62a_200000210301_200000173881 [0,2,0,0,0,0|0,1,0]=3 6947 B12R1.121 CSc1ccccc1OCC=O 34a_100011216402_200009817547 [0,2,0,0,0,0|0,1,0]=3 6948 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [0,2,0,0,0,0|0,1,0]=3 6949 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,2,0,0,0,0|0,1,0]=3 6950 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,2,0,0,0,0|0,1,0]=3 6951 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [0,2,0,0,0,0|0,1,0]=3 6952 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [0,2,0,0,0,0|0,1,0]=3 6953 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [0,2,0,0,0,0|0,1,0]=3 6954 B12R1.121 CSc1ccccc1SCC#N 62a_100011215382_100011217816 [0,2,0,0,0,0|0,2,0]=4 6955 B12R1.121 CSc1ccccc1SCC#N 62a_100011217816_100011215382 [0,2,0,0,0,0|0,2,0]=4 6956 B12R1.121 CSc1ccccc1SCC=O 62a_100011217816_200015260668 [0,2,0,0,0,0|0,2,0]=4 6957 B12R1.121 CSc1ccccc1SCC=O 62a_200015260668_100011217816 [0,2,0,0,0,0|0,2,0]=4 6958 B12R1.121 CSc1ccccc1SCCF 62a_100011217306_100011217816 [0,2,0,0,0,0|0,2,0]=4 6959 B12R1.121 CSc1ccccc1SCCF 62a_100011217816_100011217306 [0,2,0,0,0,0|0,2,0]=4 6960 B12R1.121 CSc1ccccc1SCCO 62a_100000211926_100011217816 [0,2,0,0,0,0|0,2,0]=4 6961 B12R1.121 CSc1ccccc1SCCO 62a_100011217816_100000211926 [0,2,0,0,0,0|0,2,0]=4 6962 B12R1.121 CSc1ccccc1SCCO 62a_200000210301_200000230852 [0,2,0,0,0,0|0,2,0]=4 6963 B12R1.121 CSc1ccccc1SCCO 62a_200000230852_200000210301 [0,2,0,0,0,0|0,2,0]=4 6964 B12R1.121 CSc1ncccc1OCCF 62a_100012814765_200000210301 [0,2,0,0,0,0|1,1,0]=4 6965 B12R1.121 CSc1ncccc1OCCF 62a_200000210301_100012814765 [0,2,0,0,0,0|1,1,0]=4 6966 B12R1.121 FCOCc1ccccc1CBr 34a_100009816955_100015361967 [0,2,0,0,0,0|2,0,0]=4 6967 B12R1.121 FCOCc1ccccc1CBr 7a_100009816955_100015361967 [0,2,0,0,0,0|2,0,0]=4 6968 B12R1.121 N#CCOc1ccccc1C#N 7a_100000211048_100011215382 [0,2,0,0,0,0|2,0,0]=4 6969 B12R1.121 N#Cc1ccccc1COCF 34a_200011269968_100015361967 [0,2,0,0,0,0|2,0,0]=4 6970 B12R1.121 N#Cc1ccccc1COCF 7a_200011269968_100015361967 [0,2,0,0,0,0|2,0,0]=4 6971 B12R1.121 N#Cc1ccccc1OCC=O 34a_100000211048_200009817547 [0,2,0,0,0,0|2,0,0]=4 6972 B12R1.121 N#Cc1ccccc1OCC=O 7a_100000211048_200015260668 [0,2,0,0,0,0|2,0,0]=4 6973 B12R1.121 N#Cc1ccccc1OCCF 34a_100000211048_100011217306 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.121 N#Cc1ccccc1OCCF 7a_100000211048_100011217306 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.121 N#Cc1ccccc1OCCO 34a_100000211048_100000211926 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.121 N#Cc1ccccc1OCCO 7a_100000211048_100000211926 [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.121 NCc1ccccc1COCF 34a_100000743596_100015361967 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.121 NCc1ccccc1OCC=O 34a_100000185550_200009817547 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.121 NCc1ccccc1OCCF 34a_100000185550_100011217306 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.121 OCc1ccccc1OCCF 34a_100011216872_100011217306 [0,2,0,0,0,0|2,0,0]=4 6984 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [0,2,0,0,0,0|1,0,0]=3 6985 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [0,2,0,0,0,0|1,0,0]=3 6986 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [0,2,0,0,0,0|0,0,0]=2 6987 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [0,2,0,0,0,0|0,0,0]=2 6988 B12R1.121 [13CH3]Sc1ccccc1C#CCO 62a_100009814404_200025704644 [0,2,0,0,0,0|1,1,0]=4 6989 B12R1.121 [13CH3]Sc1ccccc1C#CCO 62a_200025704644_100009814404 [0,2,0,0,0,0|1,1,0]=4 6990 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [0,2,0,0,0,0|1,1,0]=4 6991 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [0,2,0,0,0,0|1,1,0]=4 6992 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_100000699526_200025704644 [0,2,0,0,0,0|1,1,0]=4 6993 B12R1.121 [13CH3]Sc1ccccc1CCCO 62a_200025704644_100000699526 [0,2,0,0,0,0|1,1,0]=4 6994 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200000173881_200025704644 [0,2,0,0,0,0|0,1,0]=3 6995 B12R1.121 [13CH3]Sc1ccccc1OCC#N 62a_200025704644_200000173881 [0,2,0,0,0,0|0,1,0]=3 6996 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,2,0,0,0,0|0,1,0]=3 6997 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,2,0,0,0,0|0,1,0]=3 6998 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [0,2,0,0,0,0|0,1,0]=3 6999 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [0,2,0,0,0,0|0,1,0]=3 7000 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200000230852_200025704644 [0,2,0,0,0,0|0,2,0]=4 7001 B12R1.121 [13CH3]Sc1ccccc1SCCO 62a_200025704644_200000230852 [0,2,0,0,0,0|0,2,0]=4 7002 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_100012814765_200025704644 [0,2,0,0,0,0|1,1,0]=4 7003 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_200025704644_100012814765 [0,2,0,0,0,0|1,1,0]=4 7004 B12R1.169 C/C=C/c1ccccc1OCC 34a_200000189419_100000210202 [0,2,0,0,0,0|1,0,0]=3 7005 B12R1.169 C/C=C/c1ccccc1OCC 7a_200000189419_100000210202 [0,2,0,0,0,0|1,0,0]=3 7006 B12R1.169 C/C=C/c1ccccc1OCF 34a_200000189419_100015361967 [0,2,0,0,0,0|1,0,0]=3 7007 B12R1.169 C/C=C/c1ccccc1OCF 7a_200000189419_100015361967 [0,2,0,0,0,0|1,0,0]=3 7008 B12R1.169 C=C=Cc1ccccc1COC 271570a_100015277604_100011493684 [0,2,0,0,0,0|1,0,1]=4 7009 B12R1.169 C=C=Cc1ccccc1OCC 271570a_100015277604_100000230754 [0,2,0,0,0,0|1,0,1]=4 7010 B12R1.169 C=CCc1ccccc1OCC 34a_100000211836_100000210202 [0,2,0,0,0,0|1,0,1]=4 7011 B12R1.169 C=CCc1ccccc1OCC 7a_100000211836_100000210202 [0,2,0,0,0,0|1,0,1]=4 7012 B12R1.169 C=CCc1ccccc1OCF 34a_100000211836_100015361967 [0,2,0,0,0,0|1,0,1]=4 7013 B12R1.169 C=CCc1ccccc1OCF 7a_100000211836_100015361967 [0,2,0,0,0,0|1,0,1]=4 7014 B12R1.169 CC=Cc1ccccc1CCN 271570a_100016259895_100000747383 [0,2,0,0,0,0|2,0,0]=4 7015 B12R1.169 CC=Cc1ccccc1CCO 271570a_100016259895_100000731337 [0,2,0,0,0,0|2,0,0]=4 7016 B12R1.169 CC=Cc1ccccc1CNC 271570a_100016259895_100000184654 [0,2,0,0,0,0|2,0,0]=4 7017 B12R1.169 CC=Cc1ccccc1COC 271570a_100016259895_100011493684 [0,2,0,0,0,0|1,0,0]=3 7018 B12R1.169 CC=Cc1ccccc1CSC 271570a_100016259895_100000148299 [0,2,0,0,0,0|1,1,0]=4 7019 B12R1.169 CC=Cc1ccccc1NCC 271570a_100016259895_114873767003 [0,2,0,0,0,0|2,0,0]=4 7020 B12R1.169 CC=Cc1ccccc1OCC 271570a_100016259895_100000230754 [0,2,0,0,0,0|1,0,0]=3 7021 B12R1.169 CC=Cc1ccccc1SCC 271570a_100016259895_100000230856 [0,2,0,0,0,0|1,1,0]=4 7022 B12R1.169 CC=Cc1cccnc1OCC 271570a_100016259895_100011465154 [0,2,0,0,0,0|2,0,0]=4 7023 B12R1.169 CC=Cc1ncccc1OCC 271570a_100016259895_100011597540 [0,2,0,0,0,0|2,0,0]=4 7024 B12R1.169 CCCc1ccccc1CNC 26a_100102657272_100011217252 [0,2,0,0,0,0|2,0,0]=4 7025 B12R1.169 CCCc1ccccc1NCC 2230a_100000737634_100000210202 [0,2,0,0,0,0|2,0,0]=4 7026 B12R1.169 CCCc1ccccc1NCC 34a_100000737634_100000210202 [0,2,0,0,0,0|2,0,0]=4 7027 B12R1.169 CCCc1ccccc1NCC 7a_100000737634_100000210202 [0,2,0,0,0,0|2,0,0]=4 7028 B12R1.169 CCCc1ccccc1NCF 34a_100000737634_100015361967 [0,2,0,0,0,0|2,0,0]=4 7029 B12R1.169 CCCc1ccccc1NCF 7a_100000737634_100015361967 [0,2,0,0,0,0|2,0,0]=4 7030 B12R1.169 CCCc1ccccc1OCC 34a_100011217252_100000210202 [0,2,0,0,0,0|1,0,0]=3 7031 B12R1.169 CCCc1ccccc1OCC 7a_100011217252_100000210202 [0,2,0,0,0,0|1,0,0]=3 7032 B12R1.169 CCCc1ccccc1OCF 34a_100011217252_100015361967 [0,2,0,0,0,0|1,0,0]=3 7033 B12R1.169 CCCc1ccccc1OCF 7a_100011217252_100015361967 [0,2,0,0,0,0|1,0,0]=3 7034 B12R1.169 CCNc1ccccc1CCO 2230a_100011215289_100000210202 [0,2,0,0,0,0|2,0,0]=4 7035 B12R1.169 CCNc1ccccc1CCO 34a_100011215289_100000210202 [0,2,0,0,0,0|2,0,0]=4 7036 B12R1.169 CCNc1ccccc1OCC 34a_100000211218_100000210202 [0,2,0,0,0,0|1,0,0]=3 7037 B12R1.169 CCNc1ccccc1OCC 34a_103624766699_100000210202 [0,2,0,0,0,0|1,0,0]=3 7038 B12R1.169 CCNc1ccccc1OCC 7a_103624766699_100000210202 [0,2,0,0,0,0|1,0,0]=3 7039 B12R1.169 CCNc1ccccc1OCF 34a_103624766699_100015361967 [0,2,0,0,0,0|1,0,0]=3 7040 B12R1.169 CCNc1ccccc1OCF 7a_103624766699_100015361967 [0,2,0,0,0,0|1,0,0]=3 7041 B12R1.169 CCNc1ccccc1SCC 34a_100011223125_100000210202 [0,2,0,0,0,0|1,1,0]=4 7042 B12R1.169 CCNc1ccccc1SCC 62a_100000210202_114873767003 [0,2,0,0,0,0|1,1,0]=4 7043 B12R1.169 CCNc1ccccc1SCC 62a_114873767003_100000210202 [0,2,0,0,0,0|1,1,0]=4 7044 B12R1.169 CCNc1ccccc1SCF 62a_100015361967_114873767003 [0,2,0,0,0,0|1,1,0]=4 7045 B12R1.169 CCNc1ccccc1SCF 62a_114873767003_100015361967 [0,2,0,0,0,0|1,1,0]=4 7046 B12R1.169 CCOc1ccccc1CC#N 34a_100000043107_100000210202 [0,2,0,0,0,0|1,0,1]=4 7047 B12R1.169 CCOc1ccccc1CC#N 7a_100000043107_100000210202 [0,2,0,0,0,0|1,0,1]=4 7048 B12R1.169 CCOc1ccccc1CCBr 34a_100000722297_100000210202 [0,2,0,0,0,0|1,0,0]=3 7049 B12R1.169 CCOc1ccccc1CCBr 7a_100000722297_100000210202 [0,2,0,0,0,0|1,0,0]=3 7050 B12R1.169 CCOc1ccccc1CCN 34a_100011207237_100000210202 [0,2,0,0,0,0|1,0,0]=3 7051 B12R1.169 CCOc1ccccc1CCO 34a_100000719421_100000210202 [0,2,0,0,0,0|1,0,0]=3 7052 B12R1.169 CCOc1ccccc1CCO 7a_100000719421_100000210202 [0,2,0,0,0,0|1,0,0]=3 7053 B12R1.169 CCOc1ccccc1CNC 207a_100102657272_100000169843 [0,2,0,0,0,0|1,0,0]=3 7054 B12R1.169 CCOc1ccccc1CNC 270004a_106832991635_100000169843 [0,2,0,0,0,0|1,0,0]=3 7055 B12R1.169 CCOc1ccccc1CNC 34a_100015189988_100000210202 [0,2,0,0,0,0|1,0,0]=3 7056 B12R1.169 CCOc1ccccc1COC 34a_100000708577_200000210301 [0,2,0,0,0,0|0,0,0]=2 7057 B12R1.169 CCOc1ccccc1COC 34a_100011488565_100000210202 [0,2,0,0,0,0|0,0,0]=2 7058 B12R1.169 CCOc1ccccc1COC 7a_100000708577_200000210301 [0,2,0,0,0,0|0,0,0]=2 7059 B12R1.169 CCOc1ccccc1COC 7a_100011488565_100000210202 [0,2,0,0,0,0|0,0,0]=2 7060 B12R1.169 CCOc1ccccc1CO[13CH3] 34a_100000708577_200025704644 [0,2,0,0,0,0|0,0,0]=2 7061 B12R1.169 CCOc1ccccc1CO[13CH3] 7a_100000708577_200025704644 [0,2,0,0,0,0|0,0,0]=2 7062 B12R1.169 CCOc1ccccc1NCF 34a_100000211218_100015361967 [0,2,0,0,0,0|1,0,0]=3 7063 B12R1.169 CCOc1ccccc1OCC 34a_100000211404_100000210202 [0,2,0,0,0,0|0,0,0]=2 7064 B12R1.169 CCOc1ccccc1OCC 7a_100000211404_100000210202 [0,2,0,0,0,0|0,0,0]=2 7065 B12R1.169 CCOc1ccccc1OCF 34a_100000211404_100015361967 [0,2,0,0,0,0|0,0,0]=2 7066 B12R1.169 CCOc1ccccc1OCF 7a_100000211404_100015361967 [0,2,0,0,0,0|0,0,0]=2 7067 B12R1.169 CCOc1ccccc1SCC 62a_100000210202_100000230754 [0,2,0,0,0,0|0,1,0]=3 7068 B12R1.169 CCOc1ccccc1SCC 62a_100000230754_100000210202 [0,2,0,0,0,0|0,1,0]=3 7069 B12R1.169 CCOc1ccccc1SCF 62a_100000230754_100015361967 [0,2,0,0,0,0|0,1,0]=3 7070 B12R1.169 CCOc1ccccc1SCF 62a_100015361967_100000230754 [0,2,0,0,0,0|0,1,0]=3 7071 B12R1.169 CCOc1cccnc1CNC 207a_100102657272_100009876934 [0,2,0,0,0,0|2,0,0]=4 7072 B12R1.169 CCOc1cccnc1CNC 270004a_106832991635_100009876934 [0,2,0,0,0,0|2,0,0]=4 7073 B12R1.169 CCOc1cccnc1OCC 34a_100011998697_100000210202 [0,2,0,0,0,0|1,0,0]=3 7074 B12R1.169 CCOc1cccnc1SCC 62a_100000210202_100011597540 [0,2,0,0,0,0|1,1,0]=4 7075 B12R1.169 CCOc1cccnc1SCC 62a_100011597540_100000210202 [0,2,0,0,0,0|1,1,0]=4 7076 B12R1.169 CCOc1cccnc1SCF 62a_100011597540_100015361967 [0,2,0,0,0,0|1,1,0]=4 7077 B12R1.169 CCOc1cccnc1SCF 62a_100015361967_100011597540 [0,2,0,0,0,0|1,1,0]=4 7078 B12R1.169 CCOc1ccncc1CNC 270004a_106832991635_200011935332 [0,2,0,0,0,0|2,0,0]=4 7079 B12R1.169 CCOc1ncccc1CNC 207a_100102657272_100011290805 [0,2,0,0,0,0|2,0,0]=4 7080 B12R1.169 CCOc1ncccc1CNC 270004a_106832991635_100011290805 [0,2,0,0,0,0|2,0,0]=4 7081 B12R1.169 CCOc1ncccc1OCF 34a_100011998697_100015361967 [0,2,0,0,0,0|1,0,0]=3 7082 B12R1.169 CCOc1ncccc1SCC 62a_100000210202_100011465154 [0,2,0,0,0,0|1,1,0]=4 7083 B12R1.169 CCOc1ncccc1SCC 62a_100011465154_100000210202 [0,2,0,0,0,0|1,1,0]=4 7084 B12R1.169 CCOc1ncccc1SCF 62a_100011465154_100015361967 [0,2,0,0,0,0|1,1,0]=4 7085 B12R1.169 CCOc1ncccc1SCF 62a_100015361967_100011465154 [0,2,0,0,0,0|1,1,0]=4 7086 B12R1.169 CCSc1ccccc1CCN 62a_100000210202_100000747383 [0,2,0,0,0,0|1,1,0]=4 7087 B12R1.169 CCSc1ccccc1CCN 62a_100000747383_100000210202 [0,2,0,0,0,0|1,1,0]=4 7088 B12R1.169 CCSc1ccccc1CCO 62a_100000210202_100000731337 [0,2,0,0,0,0|1,1,0]=4 7089 B12R1.169 CCSc1ccccc1CCO 62a_100000731337_100000210202 [0,2,0,0,0,0|1,1,0]=4 7090 B12R1.169 CCSc1ccccc1CNC 62a_100000184654_100000210202 [0,2,0,0,0,0|1,1,0]=4 7091 B12R1.169 CCSc1ccccc1CNC 62a_100000210202_100000184654 [0,2,0,0,0,0|1,1,0]=4 7092 B12R1.169 CCSc1ccccc1COC 62a_100000210202_100011493684 [0,2,0,0,0,0|0,1,0]=3 7093 B12R1.169 CCSc1ccccc1COC 62a_100011493684_100000210202 [0,2,0,0,0,0|0,1,0]=3 7094 B12R1.169 CCSc1ccccc1CSC 62a_100000148299_100000210202 [0,2,0,0,0,0|0,2,0]=4 7095 B12R1.169 CCSc1ccccc1CSC 62a_100000210202_100000148299 [0,2,0,0,0,0|0,2,0]=4 7096 B12R1.169 CCSc1ccccc1NCF 34a_100011223125_100015361967 [0,2,0,0,0,0|1,1,0]=4 7097 B12R1.169 CCSc1ccccc1SCC 62a_100000210202_100000230856 [0,2,0,0,0,0|0,2,0]=4 7098 B12R1.169 CCSc1ccccc1SCC 62a_100000230856_100000210202 [0,2,0,0,0,0|0,2,0]=4 7099 B12R1.169 CCSc1ccccc1SCF 62a_100000230856_100015361967 [0,2,0,0,0,0|0,2,0]=4 7100 B12R1.169 CCSc1ccccc1SCF 62a_100015361967_100000230856 [0,2,0,0,0,0|0,2,0]=4 7101 B12R1.169 CNCc1ccccc1CCBr 26a_100102657272_100000722297 [0,2,0,0,0,0|2,0,0]=4 7102 B12R1.169 CNCc1ccccc1OCF 34a_100015189988_100015361967 [0,2,0,0,0,0|1,0,0]=3 7103 B12R1.169 CNCc1ccccc1SCF 62a_100000184654_100015361967 [0,2,0,0,0,0|1,1,0]=4 7104 B12R1.169 CNCc1ccccc1SCF 62a_100015361967_100000184654 [0,2,0,0,0,0|1,1,0]=4 7105 B12R1.169 COCc1ccccc1OCF 34a_100011488565_100015361967 [0,2,0,0,0,0|0,0,0]=2 7106 B12R1.169 COCc1ccccc1OCF 7a_100011488565_100015361967 [0,2,0,0,0,0|0,0,0]=2 7107 B12R1.169 COCc1ccccc1SCF 62a_100011493684_100015361967 [0,2,0,0,0,0|0,1,0]=3 7108 B12R1.169 COCc1ccccc1SCF 62a_100015361967_100011493684 [0,2,0,0,0,0|0,1,0]=3 7109 B12R1.169 CSCc1ccccc1SCF 62a_100000148299_100015361967 [0,2,0,0,0,0|0,2,0]=4 7110 B12R1.169 CSCc1ccccc1SCF 62a_100015361967_100000148299 [0,2,0,0,0,0|0,2,0]=4 7111 B12R1.169 FCOc1ccccc1CCBr 34a_100000722297_100015361967 [0,2,0,0,0,0|1,0,0]=3 7112 B12R1.169 FCOc1ccccc1CCBr 7a_100000722297_100015361967 [0,2,0,0,0,0|1,0,0]=3 7113 B12R1.169 N#CCc1ccccc1OCF 34a_100000043107_100015361967 [0,2,0,0,0,0|1,0,1]=4 7114 B12R1.169 N#CCc1ccccc1OCF 7a_100000043107_100015361967 [0,2,0,0,0,0|1,0,1]=4 7115 B12R1.169 NCCc1ccccc1OCF 34a_100011207237_100015361967 [0,2,0,0,0,0|1,0,0]=3 7116 B12R1.169 NCCc1ccccc1SCF 62a_100000747383_100015361967 [0,2,0,0,0,0|1,1,0]=4 7117 B12R1.169 NCCc1ccccc1SCF 62a_100015361967_100000747383 [0,2,0,0,0,0|1,1,0]=4 7118 B12R1.169 OCCc1ccccc1NCF 34a_100011215289_100015361967 [0,2,0,0,0,0|2,0,0]=4 7119 B12R1.169 OCCc1ccccc1OCF 34a_100000719421_100015361967 [0,2,0,0,0,0|1,0,0]=3 7120 B12R1.169 OCCc1ccccc1OCF 7a_100000719421_100015361967 [0,2,0,0,0,0|1,0,0]=3 7121 B12R1.169 OCCc1ccccc1SCF 62a_100000731337_100015361967 [0,2,0,0,0,0|1,1,0]=4 7122 B12R1.169 OCCc1ccccc1SCF 62a_100015361967_100000731337 [0,2,0,0,0,0|1,1,0]=4 7123 B12R1.283 C=C(C)c1ccccc1CCN 271570a_100000694244_100000747383 [0,2,0,0,0,0|2,0,0]=4 7124 B12R1.283 C=C(C)c1ccccc1CCO 271570a_100000694244_100000731337 [0,2,0,0,0,0|2,0,0]=4 7125 B12R1.283 C=C(C)c1ccccc1CNC 271570a_100000694244_100000184654 [0,2,0,0,0,0|2,0,0]=4 7126 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [0,2,0,0,0,0|1,0,0]=3 7127 B12R1.283 C=C(C)c1ccccc1CSC 271570a_100000694244_100000148299 [0,2,0,0,0,0|1,1,0]=4 7128 B12R1.283 C=C(C)c1ccccc1NCC 271570a_100000694244_114873767003 [0,2,0,0,0,0|2,0,0]=4 7129 B12R1.283 C=C(C)c1ccccc1NCC 34a_100000037685_100000210202 [0,2,0,0,0,0|2,0,0]=4 7130 B12R1.283 C=C(C)c1ccccc1NCF 34a_100000037685_100015361967 [0,2,0,0,0,0|2,0,0]=4 7131 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,2,0,0,0,0|1,0,0]=3 7132 B12R1.283 C=C(C)c1ccccc1SCC 271570a_100000694244_100000230856 [0,2,0,0,0,0|1,1,0]=4 7133 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,2,0,0,0,0|2,0,0]=4 7134 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,2,0,0,0,0|2,0,0]=4 7135 B12R1.283 CC(=O)c1ccccc1SCF 62a_100000751169_100015361967 [0,2,0,0,0,0|1,1,0]=4 7136 B12R1.283 CC(=O)c1ccncc1OCF 7a_100009872882_100015361967 [0,2,0,0,0,0|2,0,0]=4 7137 B12R1.283 CC(=O)c1ncccc1OCF 34a_100000087166_100015361967 [0,2,0,0,0,0|2,0,0]=4 7138 B12R1.283 CC(=O)c1ncccc1OCF 7a_100000087166_100015361967 [0,2,0,0,0,0|2,0,0]=4 7139 B12R1.283 CC(C)c1ccccc1NCF 34a_100000210643_100015361967 [0,2,0,0,0,0|2,0,0]=4 7140 B12R1.283 CC(C)c1ccccc1NCF 7a_100000210643_100015361967 [0,2,0,0,0,0|2,0,0]=4 7141 B12R1.283 CC(C)c1ccccc1OCF 34a_100000211617_100015361967 [0,2,0,0,0,0|1,0,0]=3 7142 B12R1.283 CC(C)c1ccccc1OCF 7a_100000211617_100015361967 [0,2,0,0,0,0|1,0,0]=3 7143 B12R1.283 CC(C)c1ccccc1SCF 62a_100000708600_100015361967 [0,2,0,0,0,0|1,1,0]=4 7144 B12R1.283 CC(C)c1ccccc1SCF 62a_100015361967_100000708600 [0,2,0,0,0,0|1,1,0]=4 7145 B12R1.283 CC(C)c1cccnc1CO[13CH3] 34a_200009878718_200025704644 [0,2,0,0,0,0|2,0,0]=4 7146 B12R1.283 CC(C)c1ncccc1OCF 34a_100012183336_100015361967 [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.283 CC(C)c1ncccc1OCF 7a_100012183336_100015361967 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.283 CC(N)c1ccccc1SCF 62a_100000181357_100015361967 [0,2,0,0,0,0|1,1,0]=4 7149 B12R1.283 CC(N)c1ccccc1SCF 62a_100015361967_100000181357 [0,2,0,0,0,0|1,1,0]=4 7150 B12R1.283 CC(O)c1ccccc1OCF 34a_200011232679_100015361967 [0,2,0,0,0,0|1,0,0]=3 7151 B12R1.283 CC(O)c1ccccc1OCF 7a_200011232679_100015361967 [0,2,0,0,0,0|1,0,0]=3 7152 B12R1.283 CC(O)c1ccccc1SCF 62a_100000702211_100015361967 [0,2,0,0,0,0|1,1,0]=4 7153 B12R1.283 CC(O)c1ccccc1SCF 62a_100015361967_100000702211 [0,2,0,0,0,0|1,1,0]=4 7154 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,2,0,0,0,0|2,0,0]=4 7155 B12R1.283 CC=Cc1ccccc1C(C)C 271570a_100016259895_100011218076 [0,2,0,0,0,0|2,0,0]=4 7156 B12R1.283 CC=Cc1ccccc1C(C)N 271570a_100016259895_100000181357 [0,2,0,0,0,0|2,0,0]=4 7157 B12R1.283 CC=Cc1ccccc1C(C)O 271570a_100016259895_100000702211 [0,2,0,0,0,0|2,0,0]=4 7158 B12R1.283 CC=Cc1ccccc1N(C)C 271570a_100016259895_100011290883 [0,2,0,0,0,0|2,0,0]=4 7159 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [0,2,0,0,0,0|1,1,0]=4 7160 B12R1.283 CCNc1ccccc1C(C)C 2230a_100000210643_100000210202 [0,2,0,0,0,0|2,0,0]=4 7161 B12R1.283 CCNc1ccccc1C(C)C 34a_100000210643_100000210202 [0,2,0,0,0,0|2,0,0]=4 7162 B12R1.283 CCNc1ccccc1C(C)C 7a_100000210643_100000210202 [0,2,0,0,0,0|2,0,0]=4 7163 B12R1.283 CCNc1ccccc1C(C)O 2230a_100011405641_100000210202 [0,2,0,0,0,0|2,0,0]=4 7164 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,2,0,0,0,0|1,0,0]=3 7165 B12R1.283 CCOc1ccccc1C(=O)N 34a_100000192804_100000210202 [0,2,0,0,0,0|2,0,0]=4 7166 B12R1.283 CCOc1ccccc1C(=O)N 7a_100000192804_100000210202 [0,2,0,0,0,0|2,0,0]=4 7167 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,2,0,0,0,0|1,0,0]=3 7168 B12R1.283 CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210202 [0,2,0,0,0,0|2,0,0]=4 7169 B12R1.283 CCOc1ccccc1C(=S)N 7a_100000745089_100000210202 [0,2,0,0,0,0|2,0,0]=4 7170 B12R1.283 CCOc1ccccc1C(C)C 34a_100000211617_100000210202 [0,2,0,0,0,0|1,0,0]=3 7171 B12R1.283 CCOc1ccccc1C(C)C 7a_100000211617_100000210202 [0,2,0,0,0,0|1,0,0]=3 7172 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [0,2,0,0,0,0|1,0,0]=3 7173 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [0,2,0,0,0,0|1,0,0]=3 7174 B12R1.283 CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210202 [0,2,0,0,0,0|1,0,0]=3 7175 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210202 [0,2,0,0,0,0|2,0,0]=4 7176 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210202 [0,2,0,0,0,0|2,0,0]=4 7177 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,2,0,0,0,0|2,0,0]=4 7178 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,2,0,0,0,0|2,0,0]=4 7179 B12R1.283 CCOc1cccnc1C(C)C 34a_100012183336_100000210202 [0,2,0,0,0,0|2,0,0]=4 7180 B12R1.283 CCOc1cccnc1C(C)C 7a_100012183336_100000210202 [0,2,0,0,0,0|2,0,0]=4 7181 B12R1.283 CCOc1cnccc1C(=O)C 7a_100009872882_100000210202 [0,2,0,0,0,0|2,0,0]=4 7182 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [0,2,0,0,0,0|1,1,0]=4 7183 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [0,2,0,0,0,0|1,1,0]=4 7184 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [0,2,0,0,0,0|1,1,0]=4 7185 B12R1.283 CCSc1ccccc1C(C)C 62a_100000210202_100000708600 [0,2,0,0,0,0|1,1,0]=4 7186 B12R1.283 CCSc1ccccc1C(C)C 62a_100000708600_100000210202 [0,2,0,0,0,0|1,1,0]=4 7187 B12R1.283 CCSc1ccccc1C(C)N 62a_100000181357_100000210202 [0,2,0,0,0,0|1,1,0]=4 7188 B12R1.283 CCSc1ccccc1C(C)N 62a_100000210202_100000181357 [0,2,0,0,0,0|1,1,0]=4 7189 B12R1.283 CCSc1ccccc1C(C)O 62a_100000210202_100000702211 [0,2,0,0,0,0|1,1,0]=4 7190 B12R1.283 CCSc1ccccc1C(C)O 62a_100000702211_100000210202 [0,2,0,0,0,0|1,1,0]=4 7191 B12R1.283 CCSc1ccccc1N(C)C 62a_100000210202_100011290883 [0,2,0,0,0,0|1,1,0]=4 7192 B12R1.283 CCSc1ccccc1N(C)C 62a_100011290883_100000210202 [0,2,0,0,0,0|1,1,0]=4 7193 B12R1.283 CCSc1ccccc1S(=O)C 62a_100000734199_100000210202 [0,2,0,0,0,0|0,2,0]=4 7194 B12R1.283 CN(C)c1ccccc1SCF 62a_100011290883_100015361967 [0,2,0,0,0,0|1,1,0]=4 7195 B12R1.283 CN(C)c1ccccc1SCF 62a_100015361967_100011290883 [0,2,0,0,0,0|1,1,0]=4 7196 B12R1.283 CNCc1ccccc1C(C)C 207a_100102657272_100011361515 [0,2,0,0,0,0|2,0,0]=4 7197 B12R1.283 CNCc1ccccc1C(C)C 26a_100102657272_100000211617 [0,2,0,0,0,0|2,0,0]=4 7198 B12R1.283 CNCc1ccccc1C(C)C 270004a_106832991635_100011361515 [0,2,0,0,0,0|2,0,0]=4 7199 B12R1.283 CNCc1ccccc1N(C)C 207a_100102657272_100000750901 [0,2,0,0,0,0|2,0,0]=4 7200 B12R1.283 CNCc1ccccc1N(C)C 270004a_106832991635_100000750901 [0,2,0,0,0,0|2,0,0]=4 7201 B12R1.283 COCc1ccccc1B(O)O 34a_100138415774_100009814197 [0,2,0,0,0,0|2,0,0]=4 7202 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [0,2,0,0,0,0|1,0,0]=3 7203 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [0,2,0,0,0,0|1,0,0]=3 7204 B12R1.283 COCc1ccccc1[N+](=O)[O-] 34a_100138415774_100000181388 [0,2,0,0,0,0|2,0,0]=4 7205 B12R1.283 COCc1ccccc1[N+](=O)[O-] 7a_100011218404_200000210301 [0,2,0,0,0,0|2,0,0]=4 7206 B12R1.283 COCc1ncccc1C(C)C 34a_100138415774_200134614246 [0,2,0,0,0,0|2,0,0]=4 7207 B12R1.283 COCc1ncccc1C(C)C 34a_200009878718_200000210301 [0,2,0,0,0,0|2,0,0]=4 7208 B12R1.283 CS(=O)c1ccccc1SCF 62a_100000734199_100015361967 [0,2,0,0,0,0|0,2,0]=4 7209 B12R1.283 C[C@@H](N)c1ccccc1OCF 34a_100025703389_100015361967 [0,2,0,0,0,0|1,0,0]=3 7210 B12R1.283 NC(=O)c1ccccc1OCF 34a_100000192804_100015361967 [0,2,0,0,0,0|2,0,0]=4 7211 B12R1.283 NC(=O)c1ccccc1OCF 7a_100000192804_100015361967 [0,2,0,0,0,0|2,0,0]=4 7212 B12R1.283 NC(=S)c1ccccc1OCF 7a_100000745089_100015361967 [0,2,0,0,0,0|2,0,0]=4 7213 B12R1.283 O=C([O-])c1ccccc1OCF 7a_100015234032_100015361967 [0,2,0,0,0,0|2,0,0]=4 7214 B12R1.283 O=[N+]([O-])c1ccccc1OCF 34a_100000186319_100015361967 [0,2,0,0,0,0|2,0,0]=4 7215 B12R1.283 O=[N+]([O-])c1ccccc1OCF 7a_100000186319_100015361967 [0,2,0,0,0,0|2,0,0]=4 7216 B12R1.283 [13CH3]OCc1ccccc1[N+](=O)[O-] 7a_100011218404_200025704644 [0,2,0,0,0,0|2,0,0]=4 7217 B12R1.542 C=C=Cc1cccc(c1OC)Br 271570a_100015277604_100010146560 [0,2,0,0,0,0|1,0,1]=4 7218 B12R1.542 C=C=Cc1cccc(c1OC)C 271570a_100015277604_100010141385 [0,2,0,0,0,0|1,0,1]=4 7219 B12R1.542 C=C=Cc1cccc(c1OC)Cl 271570a_100015277604_100010147678 [0,2,0,0,0,0|1,0,1]=4 7220 B12R1.542 C=C=Cc1cccc(c1OC)F 271570a_100015277604_100009816759 [0,2,0,0,0,0|1,0,1]=4 7221 B12R1.542 C=C=Cc1cccc(c1OC)N 271570a_100015277604_100011935253 [0,2,0,0,0,0|1,0,1]=4 7222 B12R1.542 C=C=Cc1cccc(c1OC)O 271570a_100015277604_100010234590 [0,2,0,0,0,0|1,0,1]=4 7223 B12R1.542 C=CCc1cccc(c1OC)C 34a_200011218211_200000210301 [0,2,0,0,0,0|1,0,1]=4 7224 B12R1.542 C=CCc1cccc(c1OC)C 7a_200011218211_200000210301 [0,2,0,0,0,0|1,0,1]=4 7225 B12R1.542 C=CCc1cccc(c1O[13CH3])C 34a_200011218211_200025704644 [0,2,0,0,0,0|1,0,1]=4 7226 B12R1.542 C=CCc1cccc(c1O[13CH3])C 7a_200011218211_200025704644 [0,2,0,0,0,0|1,0,1]=4 7227 B12R1.542 CC=Cc1cccc(c1NC)N 271570a_100016259895_100010510394 [0,2,0,0,0,0|2,0,0]=4 7228 B12R1.542 CC=Cc1cccc(c1OC)Br 271570a_100016259895_100010146560 [0,2,0,0,0,0|1,0,0]=3 7229 B12R1.542 CC=Cc1cccc(c1OC)C 271570a_100016259895_100010141385 [0,2,0,0,0,0|1,0,0]=3 7230 B12R1.542 CC=Cc1cccc(c1OC)Cl 271570a_100016259895_100010147678 [0,2,0,0,0,0|1,0,0]=3 7231 B12R1.542 CC=Cc1cccc(c1OC)F 271570a_100016259895_100009816759 [0,2,0,0,0,0|1,0,0]=3 7232 B12R1.542 CC=Cc1cccc(c1OC)N 271570a_100016259895_100011935253 [0,2,0,0,0,0|1,0,0]=3 7233 B12R1.542 CC=Cc1cccc(c1OC)O 271570a_100016259895_100010234590 [0,2,0,0,0,0|1,0,0]=3 7234 B12R1.542 CC=Cc1cccc(c1SC)F 271570a_100016259895_200010709249 [0,2,0,0,0,0|1,1,0]=4 7235 B12R1.542 CC=Cc1ccnc(c1OC)C 271570a_100016259895_100000685116 [0,2,0,0,0,0|2,0,0]=4 7236 B12R1.542 CC=Cc1ccnc(c1OC)Cl 271570a_100016259895_100010068014 [0,2,0,0,0,0|2,0,0]=4 7237 B12R1.542 CC=Cc1ccnc(c1OC)N 271570a_100016259895_100009880012 [0,2,0,0,0,0|2,0,0]=4 7238 B12R1.542 CC=Cc1cncc(c1OC)N 271570a_100016259895_100012359933 [0,2,0,0,0,0|2,0,0]=4 7239 B12R1.542 CC=Cc1nccc(c1OC)N 271570a_100016259895_100000104429 [0,2,0,0,0,0|2,0,0]=4 7240 B12R1.542 CC=Cc1nccc(c1OC)O 271570a_100016259895_100000104430 [0,2,0,0,0,0|2,0,0]=4 7241 B12R1.542 CCNc1cccc(c1OC)Br 34a_100011935253_100000210202 [0,2,0,0,0,0|1,0,0]=3 7242 B12R1.542 CCNc1cccc(c1OC)C 34a_100012017360_100000210202 [0,2,0,0,0,0|1,0,0]=3 7243 B12R1.542 CCNc1cccc(c1OC)Cl 2230a_100000743799_100000210202 [0,2,0,0,0,0|1,0,0]=3 7244 B12R1.542 CCNc1cccc(c1OC)Cl 34a_100000743799_100000210202 [0,2,0,0,0,0|1,0,0]=3 7245 B12R1.542 CCNc1cccc(c1OC)F 34a_100011215007_100000210202 [0,2,0,0,0,0|1,0,0]=3 7246 B12R1.542 CCOc1cccc(c1C#N)Br 34a_100012180507_100000210202 [0,2,0,0,0,0|2,0,0]=4 7247 B12R1.542 CCOc1cccc(c1C#N)Br 7a_100012180507_100000210202 [0,2,0,0,0,0|2,0,0]=4 7248 B12R1.542 CCOc1cccc(c1C#N)C 34a_100000079363_100000210202 [0,2,0,0,0,0|2,0,0]=4 7249 B12R1.542 CCOc1cccc(c1C#N)C 7a_100000079363_100000210202 [0,2,0,0,0,0|2,0,0]=4 7250 B12R1.542 CCOc1cccc(c1C#N)Cl 34a_100000764475_100000210202 [0,2,0,0,0,0|2,0,0]=4 7251 B12R1.542 CCOc1cccc(c1C#N)Cl 7a_100000764475_100000210202 [0,2,0,0,0,0|2,0,0]=4 7252 B12R1.542 CCOc1cccc(c1C#N)F 34a_100000741147_100000210202 [0,2,0,0,0,0|2,0,0]=4 7253 B12R1.542 CCOc1cccc(c1C#N)F 7a_100000741147_100000210202 [0,2,0,0,0,0|2,0,0]=4 7254 B12R1.542 CCOc1cccc(c1CO)C 34a_200009874777_100000210202 [0,2,0,0,0,0|2,0,0]=4 7255 B12R1.542 CCOc1cccc(c1CO)C 7a_200009874777_100000210202 [0,2,0,0,0,0|2,0,0]=4 7256 B12R1.542 CCOc1cccc(c1NC)Br 34a_200103155331_200000210301 [0,2,0,0,0,0|1,0,0]=3 7257 B12R1.542 CCOc1cccc(c1NC)Cl 34a_100012284057_200000210301 [0,2,0,0,0,0|1,0,0]=3 7258 B12R1.542 CCOc1cccc(c1N[13CH3])Br 34a_200103155331_200025704644 [0,2,0,0,0,0|1,0,0]=3 7259 B12R1.542 CCOc1cccc(c1N[13CH3])Cl 34a_100012284057_200025704644 [0,2,0,0,0,0|1,0,0]=3 7260 B12R1.542 CCOc1cccc(c1OC)Br 34a_100010234590_100000210202 [0,2,0,0,0,0|0,0,0]=2 7261 B12R1.542 CCOc1cccc(c1OC)Cl 34a_200009886253_100000210202 [0,2,0,0,0,0|0,0,0]=2 7262 B12R1.542 CCOc1cccc(c1OC)Cl 7a_200009886253_100000210202 [0,2,0,0,0,0|0,0,0]=2 7263 B12R1.542 CCOc1cccc(c1SC)C 34a_200000099257_100000210202 [0,2,0,0,0,0|0,1,0]=3 7264 B12R1.542 CCOc1cccc(c1SC)C 7a_200000099257_100000210202 [0,2,0,0,0,0|0,1,0]=3 7265 B12R1.542 CCOc1ccnc(c1OC)Cl 34a_100000104430_100000210202 [0,2,0,0,0,0|1,0,0]=3 7266 B12R1.542 CCSc1cccc(c1NC)N 62a_100010510394_100000210202 [0,2,0,0,0,0|1,1,0]=4 7267 B12R1.542 CCSc1cccc(c1OC)Br 62a_100000210202_100010146560 [0,2,0,0,0,0|0,1,0]=3 7268 B12R1.542 CCSc1cccc(c1OC)Br 62a_100010146560_100000210202 [0,2,0,0,0,0|0,1,0]=3 7269 B12R1.542 CCSc1cccc(c1OC)C 62a_100000210202_100010141385 [0,2,0,0,0,0|0,1,0]=3 7270 B12R1.542 CCSc1cccc(c1OC)C 62a_100010141385_100000210202 [0,2,0,0,0,0|0,1,0]=3 7271 B12R1.542 CCSc1cccc(c1OC)Cl 62a_100000210202_100010147678 [0,2,0,0,0,0|0,1,0]=3 7272 B12R1.542 CCSc1cccc(c1OC)Cl 62a_100010147678_100000210202 [0,2,0,0,0,0|0,1,0]=3 7273 B12R1.542 CCSc1cccc(c1OC)F 62a_100000210202_100009816759 [0,2,0,0,0,0|0,1,0]=3 7274 B12R1.542 CCSc1cccc(c1OC)F 62a_100009816759_100000210202 [0,2,0,0,0,0|0,1,0]=3 7275 B12R1.542 CCSc1cccc(c1OC)N 62a_100011935253_100000210202 [0,2,0,0,0,0|0,1,0]=3 7276 B12R1.542 CCSc1cccc(c1OC)O 62a_100000210202_100010234590 [0,2,0,0,0,0|0,1,0]=3 7277 B12R1.542 CCSc1cccc(c1SC)F 62a_100000210202_200010709249 [0,2,0,0,0,0|0,2,0]=4 7278 B12R1.542 CCSc1cccc(c1SC)F 62a_200010709249_100000210202 [0,2,0,0,0,0|0,2,0]=4 7279 B12R1.542 CCSc1ccnc(c1OC)C 62a_100000210202_100000685116 [0,2,0,0,0,0|1,1,0]=4 7280 B12R1.542 CCSc1ccnc(c1OC)C 62a_100000685116_100000210202 [0,2,0,0,0,0|1,1,0]=4 7281 B12R1.542 CCSc1ccnc(c1OC)Cl 62a_100000210202_100010068014 [0,2,0,0,0,0|1,1,0]=4 7282 B12R1.542 CCSc1ccnc(c1OC)Cl 62a_100010068014_100000210202 [0,2,0,0,0,0|1,1,0]=4 7283 B12R1.542 CCSc1ccnc(c1OC)N 62a_100000210202_100009880012 [0,2,0,0,0,0|1,1,0]=4 7284 B12R1.542 CCSc1ccnc(c1OC)N 62a_100009880012_100000210202 [0,2,0,0,0,0|1,1,0]=4 7285 B12R1.542 CCSc1cncc(c1OC)N 62a_100000210202_100012359933 [0,2,0,0,0,0|1,1,0]=4 7286 B12R1.542 CCSc1cncc(c1OC)N 62a_100012359933_100000210202 [0,2,0,0,0,0|1,1,0]=4 7287 B12R1.542 CCSc1nccc(c1OC)N 62a_100000104429_100000210202 [0,2,0,0,0,0|1,1,0]=4 7288 B12R1.542 CCSc1nccc(c1OC)N 62a_100000210202_100000104429 [0,2,0,0,0,0|1,1,0]=4 7289 B12R1.542 CCSc1nccc(c1OC)O 62a_100000210202_100000104430 [0,2,0,0,0,0|1,1,0]=4 7290 B12R1.542 CNCc1cccc(c1OC)Br 207a_100102657272_100000692592 [0,2,0,0,0,0|1,0,0]=3 7291 B12R1.542 CNCc1cccc(c1OC)Br 2230a_106832991635_100011470457 [0,2,0,0,0,0|1,0,0]=3 7292 B12R1.542 CNCc1cccc(c1OC)Br 26a_100102657272_100010234590 [0,2,0,0,0,0|1,0,0]=3 7293 B12R1.542 CNCc1cccc(c1OC)Br 270004a_106832991635_100000692592 [0,2,0,0,0,0|1,0,0]=3 7294 B12R1.542 CNCc1cccc(c1OC)Br 34a_100102657272_100011470457 [0,2,0,0,0,0|1,0,0]=3 7295 B12R1.542 CNCc1cccc(c1OC)Br 7a_106832991635_100011470457 [0,2,0,0,0,0|1,0,0]=3 7296 B12R1.542 CNCc1cccc(c1OC)C 207a_100102657272_100011361485 [0,2,0,0,0,0|1,0,0]=3 7297 B12R1.542 CNCc1cccc(c1OC)C 2230a_106832991635_100012349798 [0,2,0,0,0,0|1,0,0]=3 7298 B12R1.542 CNCc1cccc(c1OC)C 270004a_106832991635_100011361485 [0,2,0,0,0,0|1,0,0]=3 7299 B12R1.542 CNCc1cccc(c1OC)C 34a_100102657272_100012349798 [0,2,0,0,0,0|1,0,0]=3 7300 B12R1.542 CNCc1cccc(c1OC)C 7a_106832991635_100012349798 [0,2,0,0,0,0|1,0,0]=3 7301 B12R1.542 CNCc1cccc(c1OC)Cl 207a_100102657272_100011466644 [0,2,0,0,0,0|1,0,0]=3 7302 B12R1.542 CNCc1cccc(c1OC)Cl 26a_100102657272_200009886253 [0,2,0,0,0,0|1,0,0]=3 7303 B12R1.542 CNCc1cccc(c1OC)Cl 270004a_106832991635_100011466644 [0,2,0,0,0,0|1,0,0]=3 7304 B12R1.542 CNCc1cccc(c1OC)F 207a_100102657272_100011830294 [0,2,0,0,0,0|1,0,0]=3 7305 B12R1.542 CNCc1cccc(c1OC)F 270004a_106832991635_100011830294 [0,2,0,0,0,0|1,0,0]=3 7306 B12R1.542 CNCc1cccc(c1OC)F 34a_100137345168_200000210301 [0,2,0,0,0,0|1,0,0]=3 7307 B12R1.542 CNCc1ccnc(c1OC)Br 270004a_106832991635_200009814792 [0,2,0,0,0,0|2,0,0]=4 7308 B12R1.542 CNCc1ccnc(c1OC)Cl 207a_100102657272_100009863717 [0,2,0,0,0,0|2,0,0]=4 7309 B12R1.542 CNCc1ccnc(c1OC)Cl 270004a_106832991635_100009863717 [0,2,0,0,0,0|2,0,0]=4 7310 B12R1.542 CNCc1cncc(c1OC)Br 207a_100102657272_100015834815 [0,2,0,0,0,0|2,0,0]=4 7311 B12R1.542 CNCc1cncc(c1OC)Br 270004a_106832991635_100015834815 [0,2,0,0,0,0|2,0,0]=4 7312 B12R1.542 CNCc1nccc(c1OC)Cl 2230a_106832991635_100015371371 [0,2,0,0,0,0|2,0,0]=4 7313 B12R1.542 CNCc1nccc(c1OC)Cl 34a_100102657272_100015371371 [0,2,0,0,0,0|2,0,0]=4 7314 B12R1.542 CNCc1nccc(c1OC)Cl 7a_106832991635_100015371371 [0,2,0,0,0,0|2,0,0]=4 7315 B12R1.542 CNc1c(cccc1SCF)N 62a_100010510394_100015361967 [0,2,0,0,0,0|1,1,0]=4 7316 B12R1.542 COCc1cccc(c1C#N)Br 34a_100138415774_200010145453 [0,2,0,0,0,0|2,0,0]=4 7317 B12R1.542 COCc1cccc(c1C#N)F 34a_100138415774_100000707650 [0,2,0,0,0,0|2,0,0]=4 7318 B12R1.542 COCc1cccc(c1OC)Br 34a_100000704359_200000210301 [0,2,0,0,0,0|0,0,0]=2 7319 B12R1.542 COCc1cccc(c1OC)Br 34a_100138415774_100011470457 [0,2,0,0,0,0|0,0,0]=2 7320 B12R1.542 COCc1cccc(c1OC)Br 7a_100000704359_200000210301 [0,2,0,0,0,0|0,0,0]=2 7321 B12R1.542 COCc1cccc(c1OC)C 34a_100012184769_200000210301 [0,2,0,0,0,0|0,0,0]=2 7322 B12R1.542 COCc1cccc(c1OC)C 34a_100138415774_100012349798 [0,2,0,0,0,0|0,0,0]=2 7323 B12R1.542 COCc1cccc(c1OC)C 7a_100012184769_200000210301 [0,2,0,0,0,0|0,0,0]=2 7324 B12R1.542 COCc1cccc(c1OC)F 34a_100011830279_200000210301 [0,2,0,0,0,0|0,0,0]=2 7325 B12R1.542 COCc1cccc(c1OC)F 7a_100011830279_200000210301 [0,2,0,0,0,0|0,0,0]=2 7326 B12R1.542 COCc1nccc(c1OC)Cl 34a_100009869429_200000210301 [0,2,0,0,0,0|1,0,0]=3 7327 B12R1.542 COCc1nccc(c1OC)Cl 34a_100138415774_100015371371 [0,2,0,0,0,0|1,0,0]=3 7328 B12R1.542 COc1c(cccc1CC#N)O 271570a_203496583355_100010146820 [0,2,0,0,0,0|1,0,1]=4 7329 B12R1.542 COc1c(cccc1CN[13CH3])F 34a_100137345168_200025704644 [0,2,0,0,0,0|1,0,0]=3 7330 B12R1.542 COc1c(cccc1CO[13CH3])Br 34a_100000704359_200025704644 [0,2,0,0,0,0|0,0,0]=2 7331 B12R1.542 COc1c(cccc1CO[13CH3])Br 7a_100000704359_200025704644 [0,2,0,0,0,0|0,0,0]=2 7332 B12R1.542 COc1c(cccc1CO[13CH3])C 34a_100012184769_200025704644 [0,2,0,0,0,0|0,0,0]=2 7333 B12R1.542 COc1c(cccc1CO[13CH3])C 7a_100012184769_200025704644 [0,2,0,0,0,0|0,0,0]=2 7334 B12R1.542 COc1c(cccc1CO[13CH3])F 34a_100011830279_200025704644 [0,2,0,0,0,0|0,0,0]=2 7335 B12R1.542 COc1c(cccc1CO[13CH3])F 7a_100011830279_200025704644 [0,2,0,0,0,0|0,0,0]=2 7336 B12R1.542 COc1c(cccc1CSC)Br 62a_100011470457_200000210301 [0,2,0,0,0,0|0,1,0]=3 7337 B12R1.542 COc1c(cccc1CSC)Br 62a_200000210301_100011470457 [0,2,0,0,0,0|0,1,0]=3 7338 B12R1.542 COc1c(cccc1CSC)C 62a_100012349798_200000210301 [0,2,0,0,0,0|0,1,0]=3 7339 B12R1.542 COc1c(cccc1CSC)C 62a_200000210301_100012349798 [0,2,0,0,0,0|0,1,0]=3 7340 B12R1.542 COc1c(cccc1CS[13CH3])Br 62a_100011470457_200025704644 [0,2,0,0,0,0|0,1,0]=3 7341 B12R1.542 COc1c(cccc1CS[13CH3])Br 62a_200025704644_100011470457 [0,2,0,0,0,0|0,1,0]=3 7342 B12R1.542 COc1c(cccc1CS[13CH3])C 62a_100012349798_200025704644 [0,2,0,0,0,0|0,1,0]=3 7343 B12R1.542 COc1c(cccc1CS[13CH3])C 62a_200025704644_100012349798 [0,2,0,0,0,0|0,1,0]=3 7344 B12R1.542 COc1c(cccc1NCF)Br 34a_100011935253_100015361967 [0,2,0,0,0,0|1,0,0]=3 7345 B12R1.542 COc1c(cccc1NCF)C 34a_100012017360_100015361967 [0,2,0,0,0,0|1,0,0]=3 7346 B12R1.542 COc1c(cccc1NCF)Cl 34a_100000743799_100015361967 [0,2,0,0,0,0|1,0,0]=3 7347 B12R1.542 COc1c(cccc1NCF)F 34a_100011215007_100015361967 [0,2,0,0,0,0|1,0,0]=3 7348 B12R1.542 COc1c(cccc1OCF)Br 34a_100010234590_100015361967 [0,2,0,0,0,0|0,0,0]=2 7349 B12R1.542 COc1c(cccc1OCF)Cl 34a_200009886253_100015361967 [0,2,0,0,0,0|0,0,0]=2 7350 B12R1.542 COc1c(cccc1OCF)Cl 7a_200009886253_100015361967 [0,2,0,0,0,0|0,0,0]=2 7351 B12R1.542 COc1c(cccc1SCF)Br 62a_100010146560_100015361967 [0,2,0,0,0,0|0,1,0]=3 7352 B12R1.542 COc1c(cccc1SCF)Br 62a_100015361967_100010146560 [0,2,0,0,0,0|0,1,0]=3 7353 B12R1.542 COc1c(cccc1SCF)C 62a_100010141385_100015361967 [0,2,0,0,0,0|0,1,0]=3 7354 B12R1.542 COc1c(cccc1SCF)C 62a_100015361967_100010141385 [0,2,0,0,0,0|0,1,0]=3 7355 B12R1.542 COc1c(cccc1SCF)Cl 62a_100010147678_100015361967 [0,2,0,0,0,0|0,1,0]=3 7356 B12R1.542 COc1c(cccc1SCF)Cl 62a_100015361967_100010147678 [0,2,0,0,0,0|0,1,0]=3 7357 B12R1.542 COc1c(cccc1SCF)F 62a_100009816759_100015361967 [0,2,0,0,0,0|0,1,0]=3 7358 B12R1.542 COc1c(cccc1SCF)F 62a_100015361967_100009816759 [0,2,0,0,0,0|0,1,0]=3 7359 B12R1.542 COc1c(cccc1SCF)N 62a_100011935253_100015361967 [0,2,0,0,0,0|0,1,0]=3 7360 B12R1.542 COc1c(cccc1SCF)O 62a_100015361967_100010234590 [0,2,0,0,0,0|0,1,0]=3 7361 B12R1.542 COc1c(ccnc1C)SCF 62a_100000685116_100015361967 [0,2,0,0,0,0|1,1,0]=4 7362 B12R1.542 COc1c(ccnc1C)SCF 62a_100015361967_100000685116 [0,2,0,0,0,0|1,1,0]=4 7363 B12R1.542 COc1c(ccnc1CO[13CH3])Cl 34a_100009869429_200025704644 [0,2,0,0,0,0|1,0,0]=3 7364 B12R1.542 COc1c(ccnc1CSC)Cl 62a_100015371371_200000210301 [0,2,0,0,0,0|1,1,0]=4 7365 B12R1.542 COc1c(ccnc1CSC)Cl 62a_200000210301_100015371371 [0,2,0,0,0,0|1,1,0]=4 7366 B12R1.542 COc1c(ccnc1CS[13CH3])Cl 62a_100015371371_200025704644 [0,2,0,0,0,0|1,1,0]=4 7367 B12R1.542 COc1c(ccnc1CS[13CH3])Cl 62a_200025704644_100015371371 [0,2,0,0,0,0|1,1,0]=4 7368 B12R1.542 COc1c(ccnc1Cl)OCF 34a_100000104430_100015361967 [0,2,0,0,0,0|1,0,0]=3 7369 B12R1.542 COc1c(ccnc1Cl)SCF 62a_100010068014_100015361967 [0,2,0,0,0,0|1,1,0]=4 7370 B12R1.542 COc1c(ccnc1Cl)SCF 62a_100015361967_100010068014 [0,2,0,0,0,0|1,1,0]=4 7371 B12R1.542 COc1c(ccnc1N)SCF 62a_100009880012_100015361967 [0,2,0,0,0,0|1,1,0]=4 7372 B12R1.542 COc1c(ccnc1N)SCF 62a_100015361967_100009880012 [0,2,0,0,0,0|1,1,0]=4 7373 B12R1.542 COc1c(ccnc1SCF)N 62a_100000104429_100015361967 [0,2,0,0,0,0|1,1,0]=4 7374 B12R1.542 COc1c(ccnc1SCF)N 62a_100015361967_100000104429 [0,2,0,0,0,0|1,1,0]=4 7375 B12R1.542 COc1c(ccnc1SCF)O 62a_100015361967_100000104430 [0,2,0,0,0,0|1,1,0]=4 7376 B12R1.542 COc1c(cncc1SCF)N 62a_100012359933_100015361967 [0,2,0,0,0,0|1,1,0]=4 7377 B12R1.542 COc1c(cncc1SCF)N 62a_100015361967_100012359933 [0,2,0,0,0,0|1,1,0]=4 7378 B12R1.542 CSc1c(cccc1OCF)C 34a_200000099257_100015361967 [0,2,0,0,0,0|0,1,0]=3 7379 B12R1.542 CSc1c(cccc1OCF)C 7a_200000099257_100015361967 [0,2,0,0,0,0|0,1,0]=3 7380 B12R1.542 CSc1c(cccc1SCF)F 62a_100015361967_200010709249 [0,2,0,0,0,0|0,2,0]=4 7381 B12R1.542 CSc1c(cccc1SCF)F 62a_200010709249_100015361967 [0,2,0,0,0,0|0,2,0]=4 7382 B12R1.542 Cc1cccc(c1C#N)OCF 34a_100000079363_100015361967 [0,2,0,0,0,0|2,0,0]=4 7383 B12R1.542 Cc1cccc(c1C#N)OCF 7a_100000079363_100015361967 [0,2,0,0,0,0|2,0,0]=4 7384 B12R1.542 Cc1cccc(c1CO)OCF 34a_200009874777_100015361967 [0,2,0,0,0,0|2,0,0]=4 7385 B12R1.542 Cc1cccc(c1CO)OCF 7a_200009874777_100015361967 [0,2,0,0,0,0|2,0,0]=4 7386 B12R1.542 N#Cc1c(cccc1OCF)Br 34a_100012180507_100015361967 [0,2,0,0,0,0|2,0,0]=4 7387 B12R1.542 N#Cc1c(cccc1OCF)Br 7a_100012180507_100015361967 [0,2,0,0,0,0|2,0,0]=4 7388 B12R1.542 N#Cc1c(cccc1OCF)Cl 34a_100000764475_100015361967 [0,2,0,0,0,0|2,0,0]=4 7389 B12R1.542 N#Cc1c(cccc1OCF)Cl 7a_100000764475_100015361967 [0,2,0,0,0,0|2,0,0]=4 7390 B12R1.542 N#Cc1c(cccc1OCF)F 34a_100000741147_100015361967 [0,2,0,0,0,0|2,0,0]=4 7391 B12R1.542 N#Cc1c(cccc1OCF)F 7a_100000741147_100015361967 [0,2,0,0,0,0|2,0,0]=4 7392 B12R1.1112 C=C=Cc1c(cccc1OC)Br 271570a_100015277604_100010131421 [0,2,0,0,0,0|1,0,1]=4 7393 B12R1.1112 C=C=Cc1c(cccc1OC)F 271570a_100015277604_100000041735 [0,2,0,0,0,0|1,0,1]=4 7394 B12R1.1112 C=C=Cc1c(cccc1OC)N 271570a_100015277604_100000703447 [0,2,0,0,0,0|1,0,1]=4 7395 B12R1.1112 C=C=Cc1c(cccc1OC)O 271570a_100015277604_100010202623 [0,2,0,0,0,0|1,0,1]=4 7396 B12R1.1112 C=Cc1cccc(c1OCC)F 271570a_100011290941_100010232518 [0,2,0,0,0,0|1,0,1]=4 7397 B12R1.1112 CC=Cc1c(cccc1CC)C 271570a_100016259895_100000036235 [0,2,0,0,0,0|2,0,0]=4 7398 B12R1.1112 CC=Cc1c(cccc1OC)Br 271570a_100016259895_100010131421 [0,2,0,0,0,0|1,0,0]=3 7399 B12R1.1112 CC=Cc1c(cccc1OC)F 271570a_100016259895_100000041735 [0,2,0,0,0,0|1,0,0]=3 7400 B12R1.1112 CC=Cc1c(cccc1OC)N 271570a_100016259895_100000703447 [0,2,0,0,0,0|1,0,0]=3 7401 B12R1.1112 CC=Cc1c(cccc1OC)O 271570a_100016259895_100010202623 [0,2,0,0,0,0|1,0,0]=3 7402 B12R1.1112 CC=Cc1c(ccnc1OC)C 271570a_100016259895_100012353928 [0,2,0,0,0,0|2,0,0]=4 7403 B12R1.1112 CC=Cc1c(ccnc1OC)N 271570a_100016259895_100010243811 [0,2,0,0,0,0|2,0,0]=4 7404 B12R1.1112 CCNc1c(cccc1CC)C 2230a_100000210048_100000210202 [0,2,0,0,0,0|2,0,0]=4 7405 B12R1.1112 CCNc1c(cccc1CC)C 34a_100000210048_100000210202 [0,2,0,0,0,0|2,0,0]=4 7406 B12R1.1112 CCNc1c(cccc1CC)C 7a_100000210048_100000210202 [0,2,0,0,0,0|2,0,0]=4 7407 B12R1.1112 CCNc1c(cccc1OC)Br 34a_100000708083_100000210202 [0,2,0,0,0,0|1,0,0]=3 7408 B12R1.1112 CCNc1c(cccc1OC)C 2230a_100000758225_100000210202 [0,2,0,0,0,0|1,0,0]=3 7409 B12R1.1112 CCNc1c(cccc1OC)C 34a_100000758225_100000210202 [0,2,0,0,0,0|1,0,0]=3 7410 B12R1.1112 CCNc1c(cccc1OC)Cl 34a_100011309317_100000210202 [0,2,0,0,0,0|1,0,0]=3 7411 B12R1.1112 CCNc1c(cccc1OC)F 34a_100000686744_100000210202 [0,2,0,0,0,0|1,0,0]=3 7412 B12R1.1112 CCNc1c(cccc1OC)O 34a_100012022766_100000210202 [0,2,0,0,0,0|1,0,0]=3 7413 B12R1.1112 CCOc1c(cccc1C#N)Br 34a_100009817103_100000210202 [0,2,0,0,0,0|2,0,0]=4 7414 B12R1.1112 CCOc1c(cccc1C#N)C 34a_100011659161_100000210202 [0,2,0,0,0,0|2,0,0]=4 7415 B12R1.1112 CCOc1c(cccc1C#N)C 7a_100011659161_100000210202 [0,2,0,0,0,0|2,0,0]=4 7416 B12R1.1112 CCOc1c(cccc1C#N)Cl 34a_100009866432_100000210202 [0,2,0,0,0,0|2,0,0]=4 7417 B12R1.1112 CCOc1c(cccc1C#N)Cl 7a_100009866432_100000210202 [0,2,0,0,0,0|2,0,0]=4 7418 B12R1.1112 CCOc1c(cccc1C#N)F 34a_100000117915_100000210202 [0,2,0,0,0,0|2,0,0]=4 7419 B12R1.1112 CCOc1c(cccc1C#N)F 7a_100000117915_100000210202 [0,2,0,0,0,0|2,0,0]=4 7420 B12R1.1112 CCOc1c(cccc1CC)Br 34a_200010001580_100000210202 [0,2,0,0,0,0|1,0,0]=3 7421 B12R1.1112 CCOc1c(cccc1CC)Br 7a_200010001580_100000210202 [0,2,0,0,0,0|1,0,0]=3 7422 B12R1.1112 CCOc1c(cccc1CC)C 34a_100000034007_100000210202 [0,2,0,0,0,0|1,0,0]=3 7423 B12R1.1112 CCOc1c(cccc1CC)C 7a_100000034007_100000210202 [0,2,0,0,0,0|1,0,0]=3 7424 B12R1.1112 CCOc1c(cccc1CN)C 34a_100020639391_100000210202 [0,2,0,0,0,0|2,0,0]=4 7425 B12R1.1112 CCOc1c(cccc1CO)F 34a_100011997349_100000210202 [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.1112 CCOc1c(cccc1CO)F 7a_100011997349_100000210202 [0,2,0,0,0,0|2,0,0]=4 7427 B12R1.1112 CCOc1c(cccc1NC)Cl 2230a_100000744310_200000210301 [0,2,0,0,0,0|1,0,0]=3 7428 B12R1.1112 CCOc1c(cccc1NC)Cl 34a_100000744310_200000210301 [0,2,0,0,0,0|1,0,0]=3 7429 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 2230a_100000744310_200025704644 [0,2,0,0,0,0|1,0,0]=3 7430 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 34a_100000744310_200025704644 [0,2,0,0,0,0|1,0,0]=3 7431 B12R1.1112 CCOc1c(cccc1OC)Br 34a_100000686866_100000210202 [0,2,0,0,0,0|0,0,0]=2 7432 B12R1.1112 CCOc1c(cccc1OC)C 34a_100011219253_100000210202 [0,2,0,0,0,0|0,0,0]=2 7433 B12R1.1112 CCOc1c(cccc1OC)C 7a_100011219253_100000210202 [0,2,0,0,0,0|0,0,0]=2 7434 B12R1.1112 CCOc1c(cccc1OC)Cl 34a_100009851661_100000210202 [0,2,0,0,0,0|0,0,0]=2 7435 B12R1.1112 CCOc1c(cccc1OC)Cl 7a_100009851661_100000210202 [0,2,0,0,0,0|0,0,0]=2 7436 B12R1.1112 CCOc1c(cccc1OC)F 34a_100000036725_100000210202 [0,2,0,0,0,0|0,0,0]=2 7437 B12R1.1112 CCOc1c(cccc1OC)F 7a_100000036725_100000210202 [0,2,0,0,0,0|0,0,0]=2 7438 B12R1.1112 CCOc1c(cccc1OC)N 34a_100000123586_100000210202 [0,2,0,0,0,0|0,0,0]=2 7439 B12R1.1112 CCOc1c(cccc1SC)F 62a_100010232518_200000210301 [0,2,0,0,0,0|0,1,0]=3 7440 B12R1.1112 CCOc1c(cccc1SC)F 62a_200000210301_100010232518 [0,2,0,0,0,0|0,1,0]=3 7441 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_100010232518_200025704644 [0,2,0,0,0,0|0,1,0]=3 7442 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_200025704644_100010232518 [0,2,0,0,0,0|0,1,0]=3 7443 B12R1.1112 CCOc1c(occc1=O)CC 34a_100000033269_100000210202 [0,2,0,0,0,0|2,0,0]=4 7444 B12R1.1112 CCSc1c(cccc1CC)C 62a_100000036235_100000210202 [0,2,0,0,0,0|1,1,0]=4 7445 B12R1.1112 CCSc1c(cccc1CC)C 62a_100000210202_100000036235 [0,2,0,0,0,0|1,1,0]=4 7446 B12R1.1112 CCSc1c(cccc1OC)Br 62a_100000210202_100010131421 [0,2,0,0,0,0|0,1,0]=3 7447 B12R1.1112 CCSc1c(cccc1OC)Br 62a_100010131421_100000210202 [0,2,0,0,0,0|0,1,0]=3 7448 B12R1.1112 CCSc1c(cccc1OC)C 62a_100000210202_100010191535 [0,2,0,0,0,0|0,1,0]=3 7449 B12R1.1112 CCSc1c(cccc1OC)C 62a_100010191535_100000210202 [0,2,0,0,0,0|0,1,0]=3 7450 B12R1.1112 CCSc1c(cccc1OC)F 62a_100000210202_100000703912 [0,2,0,0,0,0|0,1,0]=3 7451 B12R1.1112 CCSc1c(cccc1OC)F 62a_100000703912_100000210202 [0,2,0,0,0,0|0,1,0]=3 7452 B12R1.1112 CCSc1c(cccc1OC)N 62a_100000210202_100000703447 [0,2,0,0,0,0|0,1,0]=3 7453 B12R1.1112 CCSc1c(cccc1OC)N 62a_100000703447_100000210202 [0,2,0,0,0,0|0,1,0]=3 7454 B12R1.1112 CCSc1c(cccc1OC)O 62a_100000210202_100010202623 [0,2,0,0,0,0|0,1,0]=3 7455 B12R1.1112 CCSc1c(ccnc1Cl)OC 62a_100000210202_100010154655 [0,2,0,0,0,0|1,1,0]=4 7456 B12R1.1112 CCSc1c(ccnc1Cl)OC 62a_100010154655_100000210202 [0,2,0,0,0,0|1,1,0]=4 7457 B12R1.1112 CCSc1c(ccnc1OC)C 62a_100000210202_100012353928 [0,2,0,0,0,0|1,1,0]=4 7458 B12R1.1112 CCSc1c(ccnc1OC)C 62a_100012353928_100000210202 [0,2,0,0,0,0|1,1,0]=4 7459 B12R1.1112 CCSc1c(ccnc1OC)N 62a_100000210202_100010243811 [0,2,0,0,0,0|1,1,0]=4 7460 B12R1.1112 CCSc1c(ccnc1OC)N 62a_100010243811_100000210202 [0,2,0,0,0,0|1,1,0]=4 7461 B12R1.1112 CCc1cccc(c1CNC)Br 26a_100102657272_200010001580 [0,2,0,0,0,0|2,0,0]=4 7462 B12R1.1112 CCc1cccc(c1NCF)C 34a_100000210048_100015361967 [0,2,0,0,0,0|2,0,0]=4 7463 B12R1.1112 CCc1cccc(c1NCF)C 7a_100000210048_100015361967 [0,2,0,0,0,0|2,0,0]=4 7464 B12R1.1112 CCc1cccc(c1OCF)Br 34a_200010001580_100015361967 [0,2,0,0,0,0|1,0,0]=3 7465 B12R1.1112 CCc1cccc(c1OCF)Br 7a_200010001580_100015361967 [0,2,0,0,0,0|1,0,0]=3 7466 B12R1.1112 CCc1cccc(c1OCF)C 34a_100000034007_100015361967 [0,2,0,0,0,0|1,0,0]=3 7467 B12R1.1112 CCc1cccc(c1OCF)C 7a_100000034007_100015361967 [0,2,0,0,0,0|1,0,0]=3 7468 B12R1.1112 CCc1cccc(c1SCF)C 62a_100000036235_100015361967 [0,2,0,0,0,0|1,1,0]=4 7469 B12R1.1112 CCc1cccc(c1SCF)C 62a_100015361967_100000036235 [0,2,0,0,0,0|1,1,0]=4 7470 B12R1.1112 CCc1occc(=O)c1OCF 34a_100000033269_100015361967 [0,2,0,0,0,0|2,0,0]=4 7471 B12R1.1112 CNCc1c(cccc1OC)Br 207a_100102657272_100009814803 [0,2,0,0,0,0|1,0,0]=3 7472 B12R1.1112 CNCc1c(cccc1OC)Br 26a_100102657272_100000686866 [0,2,0,0,0,0|1,0,0]=3 7473 B12R1.1112 CNCc1c(cccc1OC)Br 270004a_106832991635_100009814803 [0,2,0,0,0,0|1,0,0]=3 7474 B12R1.1112 CNCc1c(cccc1OC)C 207a_100102657272_100000050978 [0,2,0,0,0,0|1,0,0]=3 7475 B12R1.1112 CNCc1c(cccc1OC)C 270004a_106832991635_100000050978 [0,2,0,0,0,0|1,0,0]=3 7476 B12R1.1112 CNCc1c(cccc1OC)Cl 207a_100102657272_100000757644 [0,2,0,0,0,0|1,0,0]=3 7477 B12R1.1112 CNCc1c(cccc1OC)Cl 2230a_106832991635_100012349678 [0,2,0,0,0,0|1,0,0]=3 7478 B12R1.1112 CNCc1c(cccc1OC)Cl 270004a_106832991635_100000757644 [0,2,0,0,0,0|1,0,0]=3 7479 B12R1.1112 CNCc1c(cccc1OC)Cl 34a_100102657272_100012349678 [0,2,0,0,0,0|1,0,0]=3 7480 B12R1.1112 CNCc1c(cccc1OC)Cl 7a_106832991635_100012349678 [0,2,0,0,0,0|1,0,0]=3 7481 B12R1.1112 CNCc1c(cccc1OC)F 207a_100102657272_100011216730 [0,2,0,0,0,0|1,0,0]=3 7482 B12R1.1112 CNCc1c(cccc1OC)F 2230a_106832991635_100011216731 [0,2,0,0,0,0|1,0,0]=3 7483 B12R1.1112 CNCc1c(cccc1OC)F 270004a_106832991635_100011216730 [0,2,0,0,0,0|1,0,0]=3 7484 B12R1.1112 CNCc1c(cccc1OC)F 34a_100016992011_200000210301 [0,2,0,0,0,0|1,0,0]=3 7485 B12R1.1112 CNCc1c(cccc1OC)F 34a_100102657272_100011216731 [0,2,0,0,0,0|1,0,0]=3 7486 B12R1.1112 CNCc1c(cccc1OC)F 7a_106832991635_100011216731 [0,2,0,0,0,0|1,0,0]=3 7487 B12R1.1112 CNCc1c(cccc1SC)F 62a_106744473292_200000210301 [0,2,0,0,0,0|1,1,0]=4 7488 B12R1.1112 CNCc1c(cccc1SC)F 62a_200000210301_106744473292 [0,2,0,0,0,0|1,1,0]=4 7489 B12R1.1112 CNCc1c(cccc1S[13CH3])F 62a_106744473292_200025704644 [0,2,0,0,0,0|1,1,0]=4 7490 B12R1.1112 CNCc1c(cccc1S[13CH3])F 62a_200025704644_106744473292 [0,2,0,0,0,0|1,1,0]=4 7491 B12R1.1112 CNCc1c(ccnc1OC)Cl 207a_100102657272_100009849443 [0,2,0,0,0,0|2,0,0]=4 7492 B12R1.1112 CNCc1c(ccnc1OC)Cl 270004a_106832991635_100009849443 [0,2,0,0,0,0|2,0,0]=4 7493 B12R1.1112 CNCc1c(ccnc1OC)I 207a_100102657272_100010160771 [0,2,0,0,0,0|2,0,0]=4 7494 B12R1.1112 COCc1c(cccc1C#N)Br 34a_100138415774_100010145454 [0,2,0,0,0,0|2,0,0]=4 7495 B12R1.1112 COCc1c(cccc1C#N)Cl 34a_100138415774_100010254528 [0,2,0,0,0,0|2,0,0]=4 7496 B12R1.1112 COCc1c(cccc1C#N)F 34a_100138415774_100010254529 [0,2,0,0,0,0|2,0,0]=4 7497 B12R1.1112 COCc1c(cccc1C=O)F 34a_100138415774_100010132767 [0,2,0,0,0,0|2,0,0]=4 7498 B12R1.1112 COCc1c(cccc1OC)Cl 34a_100138415774_100012349678 [0,2,0,0,0,0|0,0,0]=2 7499 B12R1.1112 COCc1c(cccc1OC)F 34a_100011216733_200000210301 [0,2,0,0,0,0|0,0,0]=2 7500 B12R1.1112 COCc1c(cccc1OC)F 34a_100138415774_100011216731 [0,2,0,0,0,0|0,0,0]=2 7501 B12R1.1112 COCc1c(cccc1OC)F 7a_100011216733_200000210301 [0,2,0,0,0,0|0,0,0]=2 7502 B12R1.1112 COc1cccc(c1CN[13CH3])F 34a_100016992011_200025704644 [0,2,0,0,0,0|1,0,0]=3 7503 B12R1.1112 COc1cccc(c1CO[13CH3])F 34a_100011216733_200025704644 [0,2,0,0,0,0|0,0,0]=2 7504 B12R1.1112 COc1cccc(c1CO[13CH3])F 7a_100011216733_200025704644 [0,2,0,0,0,0|0,0,0]=2 7505 B12R1.1112 COc1cccc(c1CSC)Cl 62a_100012349678_200000210301 [0,2,0,0,0,0|0,1,0]=3 7506 B12R1.1112 COc1cccc(c1CSC)Cl 62a_200000210301_100012349678 [0,2,0,0,0,0|0,1,0]=3 7507 B12R1.1112 COc1cccc(c1CSC)F 62a_100011216731_200000210301 [0,2,0,0,0,0|0,1,0]=3 7508 B12R1.1112 COc1cccc(c1CSC)F 62a_200000210301_100011216731 [0,2,0,0,0,0|0,1,0]=3 7509 B12R1.1112 COc1cccc(c1CS[13CH3])Cl 62a_100012349678_200025704644 [0,2,0,0,0,0|0,1,0]=3 7510 B12R1.1112 COc1cccc(c1CS[13CH3])Cl 62a_200025704644_100012349678 [0,2,0,0,0,0|0,1,0]=3 7511 B12R1.1112 COc1cccc(c1CS[13CH3])F 62a_100011216731_200025704644 [0,2,0,0,0,0|0,1,0]=3 7512 B12R1.1112 COc1cccc(c1CS[13CH3])F 62a_200025704644_100011216731 [0,2,0,0,0,0|0,1,0]=3 7513 B12R1.1112 COc1cccc(c1NCF)Br 34a_100000708083_100015361967 [0,2,0,0,0,0|1,0,0]=3 7514 B12R1.1112 COc1cccc(c1NCF)C 34a_100000758225_100015361967 [0,2,0,0,0,0|1,0,0]=3 7515 B12R1.1112 COc1cccc(c1NCF)Cl 34a_100011309317_100015361967 [0,2,0,0,0,0|1,0,0]=3 7516 B12R1.1112 COc1cccc(c1NCF)F 34a_100000686744_100015361967 [0,2,0,0,0,0|1,0,0]=3 7517 B12R1.1112 COc1cccc(c1NCF)O 34a_100012022766_100015361967 [0,2,0,0,0,0|1,0,0]=3 7518 B12R1.1112 COc1cccc(c1OCF)Br 34a_100000686866_100015361967 [0,2,0,0,0,0|0,0,0]=2 7519 B12R1.1112 COc1cccc(c1OCF)C 34a_100011219253_100015361967 [0,2,0,0,0,0|0,0,0]=2 7520 B12R1.1112 COc1cccc(c1OCF)C 7a_100011219253_100015361967 [0,2,0,0,0,0|0,0,0]=2 7521 B12R1.1112 COc1cccc(c1OCF)Cl 34a_100009851661_100015361967 [0,2,0,0,0,0|0,0,0]=2 7522 B12R1.1112 COc1cccc(c1OCF)Cl 7a_100009851661_100015361967 [0,2,0,0,0,0|0,0,0]=2 7523 B12R1.1112 COc1cccc(c1OCF)F 34a_100000036725_100015361967 [0,2,0,0,0,0|0,0,0]=2 7524 B12R1.1112 COc1cccc(c1OCF)F 7a_100000036725_100015361967 [0,2,0,0,0,0|0,0,0]=2 7525 B12R1.1112 COc1cccc(c1OCF)N 34a_100000123586_100015361967 [0,2,0,0,0,0|0,0,0]=2 7526 B12R1.1112 COc1cccc(c1SCF)Br 62a_100010131421_100015361967 [0,2,0,0,0,0|0,1,0]=3 7527 B12R1.1112 COc1cccc(c1SCF)Br 62a_100015361967_100010131421 [0,2,0,0,0,0|0,1,0]=3 7528 B12R1.1112 COc1cccc(c1SCF)C 62a_100010191535_100015361967 [0,2,0,0,0,0|0,1,0]=3 7529 B12R1.1112 COc1cccc(c1SCF)C 62a_100015361967_100010191535 [0,2,0,0,0,0|0,1,0]=3 7530 B12R1.1112 COc1cccc(c1SCF)F 62a_100000703912_100015361967 [0,2,0,0,0,0|0,1,0]=3 7531 B12R1.1112 COc1cccc(c1SCF)F 62a_100015361967_100000703912 [0,2,0,0,0,0|0,1,0]=3 7532 B12R1.1112 COc1cccc(c1SCF)N 62a_100000703447_100015361967 [0,2,0,0,0,0|0,1,0]=3 7533 B12R1.1112 COc1cccc(c1SCF)N 62a_100015361967_100000703447 [0,2,0,0,0,0|0,1,0]=3 7534 B12R1.1112 COc1cccc(c1SCF)O 62a_100015361967_100010202623 [0,2,0,0,0,0|0,1,0]=3 7535 B12R1.1112 COc1ccnc(c1SCF)Cl 62a_100010154655_100015361967 [0,2,0,0,0,0|1,1,0]=4 7536 B12R1.1112 COc1ccnc(c1SCF)Cl 62a_100015361967_100010154655 [0,2,0,0,0,0|1,1,0]=4 7537 B12R1.1112 COc1nccc(c1SCF)C 62a_100012353928_100015361967 [0,2,0,0,0,0|1,1,0]=4 7538 B12R1.1112 COc1nccc(c1SCF)C 62a_100015361967_100012353928 [0,2,0,0,0,0|1,1,0]=4 7539 B12R1.1112 COc1nccc(c1SCF)N 62a_100010243811_100015361967 [0,2,0,0,0,0|1,1,0]=4 7540 B12R1.1112 COc1nccc(c1SCF)N 62a_100015361967_100010243811 [0,2,0,0,0,0|1,1,0]=4 7541 B12R1.1112 Cc1cccc(c1OCF)C#N 34a_100011659161_100015361967 [0,2,0,0,0,0|2,0,0]=4 7542 B12R1.1112 Cc1cccc(c1OCF)C#N 7a_100011659161_100015361967 [0,2,0,0,0,0|2,0,0]=4 7543 B12R1.1112 Cc1cccc(c1OCF)CN 34a_100020639391_100015361967 [0,2,0,0,0,0|2,0,0]=4 7544 B12R1.1112 N#Cc1cccc(c1OCF)Br 34a_100009817103_100015361967 [0,2,0,0,0,0|2,0,0]=4 7545 B12R1.1112 N#Cc1cccc(c1OCF)Cl 34a_100009866432_100015361967 [0,2,0,0,0,0|2,0,0]=4 7546 B12R1.1112 N#Cc1cccc(c1OCF)Cl 7a_100009866432_100015361967 [0,2,0,0,0,0|2,0,0]=4 7547 B12R1.1112 N#Cc1cccc(c1OCF)F 34a_100000117915_100015361967 [0,2,0,0,0,0|2,0,0]=4 7548 B12R1.1112 N#Cc1cccc(c1OCF)F 7a_100000117915_100015361967 [0,2,0,0,0,0|2,0,0]=4 7549 B12R1.1112 OCc1cccc(c1OCF)F 34a_100011997349_100015361967 [0,2,0,0,0,0|2,0,0]=4 7550 B12R1.1112 OCc1cccc(c1OCF)F 7a_100011997349_100015361967 [0,2,0,0,0,0|2,0,0]=4 7551 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 2230a_100000211005_200025704644 [0,2,0,0,0,0|2,0,0]=4 7552 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 34a_100000211005_200025704644 [0,2,0,0,0,0|2,0,0]=4 7553 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 7a_100000211005_200025704644 [0,2,0,0,0,0|2,0,0]=4 7554 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 34a_100000211619_200025704644 [0,2,0,0,0,0|1,0,0]=3 7555 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 7a_100000211619_200025704644 [0,2,0,0,0,0|1,0,0]=3 7556 B12R1.76 CC(C)(C)c1ccccc1S[13CH3] 62a_100012339570_200025704644 [0,2,0,0,0,0|1,1,0]=4 7557 B12R1.76 CC(C)(C)c1ccccc1S[13CH3] 62a_200025704644_100012339570 [0,2,0,0,0,0|1,1,0]=4 7558 B12R1.76 CC(C)(N)c1ccccc1S[13CH3] 62a_100020606264_200025704644 [0,2,0,0,0,0|1,1,0]=4 7559 B12R1.76 CC(C)(N)c1ccccc1S[13CH3] 62a_200025704644_100020606264 [0,2,0,0,0,0|1,1,0]=4 7560 B12R1.76 CC(C)(O)c1ccccc1N[13CH3] 34a_100000081495_200025704644 [0,2,0,0,0,0|2,0,0]=4 7561 B12R1.76 CC(C)(O)c1ccccc1N[13CH3] 7a_100000081495_200025704644 [0,2,0,0,0,0|2,0,0]=4 7562 B12R1.76 CC(C)(O)c1ccccc1S[13CH3] 62a_100011346021_200025704644 [0,2,0,0,0,0|1,1,0]=4 7563 B12R1.76 CC(C)(O)c1ccccc1S[13CH3] 62a_200025704644_100011346021 [0,2,0,0,0,0|1,1,0]=4 7564 B12R1.76 CC(F)(F)c1ccccc1S[13CH3] 62a_100010220483_200025704644 [0,2,0,0,0,0|1,1,0]=4 7565 B12R1.76 CC(F)(F)c1ccccc1S[13CH3] 62a_200025704644_100010220483 [0,2,0,0,0,0|1,1,0]=4 7566 B12R1.76 CNc1ccccc1C(C)(C)C 2230a_100000211005_200000210301 [0,2,0,0,0,0|2,0,0]=4 7567 B12R1.76 CNc1ccccc1C(C)(C)C 34a_100000211005_200000210301 [0,2,0,0,0,0|2,0,0]=4 7568 B12R1.76 CNc1ccccc1C(C)(C)C 7a_100000211005_200000210301 [0,2,0,0,0,0|2,0,0]=4 7569 B12R1.76 CNc1ccccc1C(C)(C)O 34a_100000081495_200000210301 [0,2,0,0,0,0|2,0,0]=4 7570 B12R1.76 CNc1ccccc1C(C)(C)O 7a_100000081495_200000210301 [0,2,0,0,0,0|2,0,0]=4 7571 B12R1.76 CNc1ccccc1P(=O)(C)C 2230a_100010749338_200000210301 [0,2,0,0,0,0|2,0,0]=4 7572 B12R1.76 CNc1ccccc1P(=O)(C)C 34a_100010749338_200000210301 [0,2,0,0,0,0|2,0,0]=4 7573 B12R1.76 CNc1ccccc1S(=O)(=O)C 34a_100000241000_200000210301 [0,2,0,0,0,0|1,1,0]=4 7574 B12R1.76 CNc1ccccc1S(=O)(=O)C 7a_100000241000_200000210301 [0,2,0,0,0,0|1,1,0]=4 7575 B12R1.76 COc1ccccc1C(C)(C)C 34a_100000211619_200000210301 [0,2,0,0,0,0|1,0,0]=3 7576 B12R1.76 COc1ccccc1C(C)(C)C 7a_100000211619_200000210301 [0,2,0,0,0,0|1,0,0]=3 7577 B12R1.76 COc1ccccc1C(F)(F)F 34a_100000236976_200000210301 [0,2,0,0,0,0|2,0,0]=4 7578 B12R1.76 COc1ccccc1C(F)(F)F 7a_100000236976_200000210301 [0,2,0,0,0,0|2,0,0]=4 7579 B12R1.76 COc1ccccc1S(=O)(=O)C 34a_100000054562_200000210301 [0,2,0,0,0,0|0,1,0]=3 7580 B12R1.76 COc1ccccc1S(=O)(=O)C 7a_100000054562_200000210301 [0,2,0,0,0,0|0,1,0]=3 7581 B12R1.76 COc1ccccc1[Si](C)(C)C 7a_100000095915_200000210301 [0,2,0,0,0,0|1,0,0]=3 7582 B12R1.76 CP(=O)(C)c1ccccc1N[13CH3] 2230a_100010749338_200025704644 [0,2,0,0,0,0|2,0,0]=4 7583 B12R1.76 CP(=O)(C)c1ccccc1N[13CH3] 34a_100010749338_200025704644 [0,2,0,0,0,0|2,0,0]=4 7584 B12R1.76 CS(=O)(=O)c1ccccc1N[13CH3] 34a_100000241000_200025704644 [0,2,0,0,0,0|1,1,0]=4 7585 B12R1.76 CS(=O)(=O)c1ccccc1N[13CH3] 7a_100000241000_200025704644 [0,2,0,0,0,0|1,1,0]=4 7586 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 34a_100000054562_200025704644 [0,2,0,0,0,0|0,1,0]=3 7587 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 7a_100000054562_200025704644 [0,2,0,0,0,0|0,1,0]=3 7588 B12R1.76 CS(=O)(=O)c1ccccc1S[13CH3] 62a_100000751929_200025704644 [0,2,0,0,0,0|0,2,0]=4 7589 B12R1.76 CS(=O)(=O)c1ccccc1S[13CH3] 62a_200025704644_100000751929 [0,2,0,0,0,0|0,2,0]=4 7590 B12R1.76 CSc1ccccc1C(C)(C)C 62a_100012339570_200000210301 [0,2,0,0,0,0|1,1,0]=4 7591 B12R1.76 CSc1ccccc1C(C)(C)C 62a_200000210301_100012339570 [0,2,0,0,0,0|1,1,0]=4 7592 B12R1.76 CSc1ccccc1C(C)(C)N 62a_100020606264_200000210301 [0,2,0,0,0,0|1,1,0]=4 7593 B12R1.76 CSc1ccccc1C(C)(C)N 62a_200000210301_100020606264 [0,2,0,0,0,0|1,1,0]=4 7594 B12R1.76 CSc1ccccc1C(C)(C)O 62a_100011346021_200000210301 [0,2,0,0,0,0|1,1,0]=4 7595 B12R1.76 CSc1ccccc1C(C)(C)O 62a_200000210301_100011346021 [0,2,0,0,0,0|1,1,0]=4 7596 B12R1.76 CSc1ccccc1C(C)(F)F 62a_100010220483_200000210301 [0,2,0,0,0,0|1,1,0]=4 7597 B12R1.76 CSc1ccccc1C(C)(F)F 62a_200000210301_100010220483 [0,2,0,0,0,0|1,1,0]=4 7598 B12R1.76 CSc1ccccc1S(=O)(=O)C 62a_100000751929_200000210301 [0,2,0,0,0,0|0,2,0]=4 7599 B12R1.76 CSc1ccccc1S(=O)(=O)C 62a_200000210301_100000751929 [0,2,0,0,0,0|0,2,0]=4 7600 B12R1.76 C[Si](C)(C)c1ccccc1O[13CH3] 7a_100000095915_200025704644 [0,2,0,0,0,0|1,0,0]=3 7601 B12R1.76 [13CH3]Oc1ccccc1C(F)(F)F 34a_100000236976_200025704644 [0,2,0,0,0,0|2,0,0]=4 7602 B12R1.76 [13CH3]Oc1ccccc1C(F)(F)F 7a_100000236976_200025704644 [0,2,0,0,0,0|2,0,0]=4 7603 B12R1.87 C=C(C)c1cccc(c1NC)N 271570a_100000694244_100010510394 [0,2,0,0,0,0|2,0,0]=4 7604 B12R1.87 C=C(C)c1cccc(c1OC)Br 271570a_100000694244_100010146560 [0,2,0,0,0,0|1,0,0]=3 7605 B12R1.87 C=C(C)c1cccc(c1OC)C 271570a_100000694244_100010141385 [0,2,0,0,0,0|1,0,0]=3 7606 B12R1.87 C=C(C)c1cccc(c1OC)Cl 271570a_100000694244_100010147678 [0,2,0,0,0,0|1,0,0]=3 7607 B12R1.87 C=C(C)c1cccc(c1OC)F 271570a_100000694244_100009816759 [0,2,0,0,0,0|1,0,0]=3 7608 B12R1.87 C=C(C)c1cccc(c1OC)N 271570a_100000694244_100011935253 [0,2,0,0,0,0|1,0,0]=3 7609 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [0,2,0,0,0,0|1,0,0]=3 7610 B12R1.87 C=C(C)c1cccc(c1SC)F 271570a_100000694244_200010709249 [0,2,0,0,0,0|1,1,0]=4 7611 B12R1.87 C=C(C)c1ccnc(c1OC)C 271570a_100000694244_100000685116 [0,2,0,0,0,0|2,0,0]=4 7612 B12R1.87 C=C(C)c1ccnc(c1OC)Cl 271570a_100000694244_100010068014 [0,2,0,0,0,0|2,0,0]=4 7613 B12R1.87 C=C(C)c1ccnc(c1OC)N 271570a_100000694244_100009880012 [0,2,0,0,0,0|2,0,0]=4 7614 B12R1.87 C=C(C)c1cncc(c1OC)N 271570a_100000694244_100012359933 [0,2,0,0,0,0|2,0,0]=4 7615 B12R1.87 C=C(C)c1nccc(c1OC)N 271570a_100000694244_100000104429 [0,2,0,0,0,0|2,0,0]=4 7616 B12R1.87 C=C(C)c1nccc(c1OC)O 271570a_100000694244_100000104430 [0,2,0,0,0,0|2,0,0]=4 7617 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,2,0,0,0,0|1,0,0]=3 7618 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,2,0,0,0,0|1,0,0]=3 7619 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [0,2,0,0,0,0|1,0,0]=3 7620 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [0,2,0,0,0,0|1,0,0]=3 7621 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [0,2,0,0,0,0|1,0,0]=3 7622 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [0,2,0,0,0,0|1,0,0]=3 7623 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [0,2,0,0,0,0|1,1,0]=4 7624 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [0,2,0,0,0,0|1,1,0]=4 7625 B12R1.87 CC(C)c1cccc(c1N[13CH3])Br 2230a_100010571509_200025704644 [0,2,0,0,0,0|2,0,0]=4 7626 B12R1.87 CC(C)c1cccc(c1N[13CH3])Br 34a_100010571509_200025704644 [0,2,0,0,0,0|2,0,0]=4 7627 B12R1.87 CC(C)c1cccc(c1N[13CH3])Br 7a_100010571509_200025704644 [0,2,0,0,0,0|2,0,0]=4 7628 B12R1.87 CC(C)c1cccc(c1N[13CH3])Cl 2230a_200009958663_200025704644 [0,2,0,0,0,0|2,0,0]=4 7629 B12R1.87 CC(C)c1cccc(c1N[13CH3])Cl 34a_200009958663_200025704644 [0,2,0,0,0,0|2,0,0]=4 7630 B12R1.87 CC(C)c1cccc(c1N[13CH3])Cl 7a_200009958663_200025704644 [0,2,0,0,0,0|2,0,0]=4 7631 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [0,2,0,0,0,0|2,0,0]=4 7632 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [0,2,0,0,0,0|2,0,0]=4 7633 B12R1.87 CNc1c(cccc1C(C)C)Br 2230a_100010571509_200000210301 [0,2,0,0,0,0|2,0,0]=4 7634 B12R1.87 CNc1c(cccc1C(C)C)Br 34a_100010571509_200000210301 [0,2,0,0,0,0|2,0,0]=4 7635 B12R1.87 CNc1c(cccc1C(C)C)Br 7a_100010571509_200000210301 [0,2,0,0,0,0|2,0,0]=4 7636 B12R1.87 CNc1c(cccc1C(C)C)C 2230a_100138557336_200000210301 [0,2,0,0,0,0|2,0,0]=4 7637 B12R1.87 CNc1c(cccc1C(C)C)C 34a_100138557336_200000210301 [0,2,0,0,0,0|2,0,0]=4 7638 B12R1.87 CNc1c(cccc1C(C)C)C 7a_100138557336_200000210301 [0,2,0,0,0,0|2,0,0]=4 7639 B12R1.87 CNc1c(cccc1C(C)C)Cl 2230a_200009958663_200000210301 [0,2,0,0,0,0|2,0,0]=4 7640 B12R1.87 CNc1c(cccc1C(C)C)Cl 34a_200009958663_200000210301 [0,2,0,0,0,0|2,0,0]=4 7641 B12R1.87 CNc1c(cccc1C(C)C)Cl 7a_200009958663_200000210301 [0,2,0,0,0,0|2,0,0]=4 7642 B12R1.87 COc1c(cccc1B(O)O)O 271570a_203496583355_100010078571 [0,2,0,0,0,0|2,0,0]=4 7643 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [0,2,0,0,0,0|1,0,0]=3 7644 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,2,0,0,0,0|1,0,0]=3 7645 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,2,0,0,0,0|1,0,0]=3 7646 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,2,0,0,0,0|1,0,0]=3 7647 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [0,2,0,0,0,0|1,0,0]=3 7648 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [0,2,0,0,0,0|1,0,0]=3 7649 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [0,2,0,0,0,0|1,0,0]=3 7650 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [0,2,0,0,0,0|1,0,0]=3 7651 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [0,2,0,0,0,0|1,0,0]=3 7652 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [0,2,0,0,0,0|1,0,0]=3 7653 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [0,2,0,0,0,0|1,0,0]=3 7654 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [0,2,0,0,0,0|1,0,0]=3 7655 B12R1.87 COc1c(cccc1C(=O)N)Cl 34a_100009868166_200000210301 [0,2,0,0,0,0|2,0,0]=4 7656 B12R1.87 COc1c(cccc1C(=O)N)Cl 7a_100009868166_200000210301 [0,2,0,0,0,0|2,0,0]=4 7657 B12R1.87 COc1c(cccc1C(=O)N)F 34a_100009886295_200000210301 [0,2,0,0,0,0|2,0,0]=4 7658 B12R1.87 COc1c(cccc1C(=O)N)F 7a_100009886295_200000210301 [0,2,0,0,0,0|2,0,0]=4 7659 B12R1.87 COc1c(cccc1C(=O)N)O 271570a_203496583355_100010146779 [0,2,0,0,0,0|2,0,0]=4 7660 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [0,2,0,0,0,0|1,0,0]=3 7661 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,2,0,0,0,0|1,0,0]=3 7662 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [0,2,0,0,0,0|1,0,0]=3 7663 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [0,2,0,0,0,0|1,0,0]=3 7664 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [0,2,0,0,0,0|1,0,0]=3 7665 B12R1.87 COc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200000210301 [0,2,0,0,0,0|2,0,0]=4 7666 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 34a_100000763257_200000210301 [0,2,0,0,0,0|2,0,0]=4 7667 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 7a_100000763257_200000210301 [0,2,0,0,0,0|2,0,0]=4 7668 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200000210301 [0,2,0,0,0,0|2,0,0]=4 7669 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200000210301 [0,2,0,0,0,0|2,0,0]=4 7670 B12R1.87 COc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200000210301 [0,2,0,0,0,0|2,0,0]=4 7671 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [0,2,0,0,0,0|1,1,0]=4 7672 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [0,2,0,0,0,0|1,1,0]=4 7673 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 2230a_100138557336_200025704644 [0,2,0,0,0,0|2,0,0]=4 7674 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 34a_100138557336_200025704644 [0,2,0,0,0,0|2,0,0]=4 7675 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 7a_100138557336_200025704644 [0,2,0,0,0,0|2,0,0]=4 7676 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 34a_100000763257_200025704644 [0,2,0,0,0,0|2,0,0]=4 7677 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 7a_100000763257_200025704644 [0,2,0,0,0,0|2,0,0]=4 7678 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200025704644 [0,2,0,0,0,0|2,0,0]=4 7679 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200025704644 [0,2,0,0,0,0|2,0,0]=4 7680 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 34a_100009886295_200025704644 [0,2,0,0,0,0|2,0,0]=4 7681 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 7a_100009886295_200025704644 [0,2,0,0,0,0|2,0,0]=4 7682 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200025704644 [0,2,0,0,0,0|2,0,0]=4 7683 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200025704644 [0,2,0,0,0,0|2,0,0]=4 7684 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200025704644 [0,2,0,0,0,0|2,0,0]=4 7685 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200025704644 [0,2,0,0,0,0|2,0,0]=4 7686 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [0,2,0,0,0,0|2,0,0]=4 7687 B12R1.261 C=C(C)c1ccccc1C(C)C 271570a_100000694244_100011218076 [0,2,0,0,0,0|2,0,0]=4 7688 B12R1.261 C=C(C)c1ccccc1C(C)N 271570a_100000694244_100000181357 [0,2,0,0,0,0|2,0,0]=4 7689 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [0,2,0,0,0,0|2,0,0]=4 7690 B12R1.261 C=C(C)c1ccccc1N(C)C 271570a_100000694244_100011290883 [0,2,0,0,0,0|2,0,0]=4 7691 B12R1.261 C=C(C)c1ccccc1S(=O)C 271570a_100000694244_100000734199 [0,2,0,0,0,0|1,1,0]=4 7692 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [0,2,0,0,0,0|2,0,0]=4 7693 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [0,2,0,0,0,0|2,0,0]=4 7694 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [0,2,0,0,0,0|1,1,0]=4 7695 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [0,2,0,0,0,0|2,0,0]=4 7696 B12R1.261 CC(C)c1ccccc1N(C)C 2230a_106256037369_200000210301 [0,2,0,0,0,0|2,0,0]=4 7697 B12R1.261 CC(C)c1ccccc1N(C)C 269982a_106256037369_200000210301 [0,2,0,0,0,0|2,0,0]=4 7698 B12R1.261 CC(C)c1ccccc1N(C)C 34a_106256037369_200000210301 [0,2,0,0,0,0|2,0,0]=4 7699 B12R1.261 CC(C)c1ccccc1N(C)C 38a_106256037369_200000210301 [0,2,0,0,0,0|2,0,0]=4 7700 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 2230a_106256037369_200025704644 [0,2,0,0,0,0|2,0,0]=4 7701 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 269982a_106256037369_200025704644 [0,2,0,0,0,0|2,0,0]=4 7702 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 34a_106256037369_200025704644 [0,2,0,0,0,0|2,0,0]=4 7703 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 38a_106256037369_200025704644 [0,2,0,0,0,0|2,0,0]=4 7704 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [0,2,0,0,0,0|2,0,0]=4 7705 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [0,2,0,0,0,0|1,1,0]=4 7706 B12R1.437 C=C(C)c1c(cccc1CC)C 271570a_100000694244_100000036235 [0,2,0,0,0,0|2,0,0]=4 7707 B12R1.437 C=C(C)c1c(cccc1OC)Br 271570a_100000694244_100010131421 [0,2,0,0,0,0|1,0,0]=3 7708 B12R1.437 C=C(C)c1c(cccc1OC)F 271570a_100000694244_100000041735 [0,2,0,0,0,0|1,0,0]=3 7709 B12R1.437 C=C(C)c1c(cccc1OC)N 271570a_100000694244_100000703447 [0,2,0,0,0,0|1,0,0]=3 7710 B12R1.437 C=C(C)c1c(cccc1OC)O 271570a_100000694244_100010202623 [0,2,0,0,0,0|1,0,0]=3 7711 B12R1.437 C=C(C)c1c(ccnc1OC)C 271570a_100000694244_100012353928 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.437 C=C(C)c1c(ccnc1OC)N 271570a_100000694244_100010243811 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 34a_100010174959_200025704644 [0,2,0,0,0,0|1,0,0]=3 7714 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 7a_100010174959_200025704644 [0,2,0,0,0,0|1,0,0]=3 7715 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 34a_100009860897_200025704644 [0,2,0,0,0,0|1,0,0]=3 7716 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 7a_100009860897_200025704644 [0,2,0,0,0,0|1,0,0]=3 7717 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 34a_100000730630_200025704644 [0,2,0,0,0,0|1,0,0]=3 7718 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 7a_100000730630_200025704644 [0,2,0,0,0,0|1,0,0]=3 7719 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 34a_100011216272_200025704644 [0,2,0,0,0,0|1,0,0]=3 7720 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 7a_100011216272_200025704644 [0,2,0,0,0,0|1,0,0]=3 7721 B12R1.437 CC(=O)c1c(cccc1S[13CH3])F 62a_100012351873_200025704644 [0,2,0,0,0,0|1,1,0]=4 7722 B12R1.437 CC(O)c1c(cccc1S[13CH3])F 62a_100013085324_200025704644 [0,2,0,0,0,0|1,1,0]=4 7723 B12R1.437 CC(O)c1c(cccc1S[13CH3])F 62a_200025704644_100013085324 [0,2,0,0,0,0|1,1,0]=4 7724 B12R1.437 COc1cccc(c1C(=O)C)Br 1458a_100011593405_200000210301 [0,2,0,0,0,0|1,0,0]=3 7725 B12R1.437 COc1cccc(c1C(=O)C)Br 34a_100010174959_200000210301 [0,2,0,0,0,0|1,0,0]=3 7726 B12R1.437 COc1cccc(c1C(=O)C)Br 7a_100010174959_200000210301 [0,2,0,0,0,0|1,0,0]=3 7727 B12R1.437 COc1cccc(c1C(=O)C)C 1458a_100000066212_200000210301 [0,2,0,0,0,0|1,0,0]=3 7728 B12R1.437 COc1cccc(c1C(=O)C)C 34a_100009860897_200000210301 [0,2,0,0,0,0|1,0,0]=3 7729 B12R1.437 COc1cccc(c1C(=O)C)C 7a_100009860897_200000210301 [0,2,0,0,0,0|1,0,0]=3 7730 B12R1.437 COc1cccc(c1C(=O)C)Cl 1458a_100000743539_200000210301 [0,2,0,0,0,0|1,0,0]=3 7731 B12R1.437 COc1cccc(c1C(=O)C)Cl 34a_100000730630_200000210301 [0,2,0,0,0,0|1,0,0]=3 7732 B12R1.437 COc1cccc(c1C(=O)C)Cl 7a_100000730630_200000210301 [0,2,0,0,0,0|1,0,0]=3 7733 B12R1.437 COc1cccc(c1C(=O)C)F 1458a_100000759380_200000210301 [0,2,0,0,0,0|1,0,0]=3 7734 B12R1.437 COc1cccc(c1C(=O)C)F 34a_100011216272_200000210301 [0,2,0,0,0,0|1,0,0]=3 7735 B12R1.437 COc1cccc(c1C(=O)C)F 7a_100011216272_200000210301 [0,2,0,0,0,0|1,0,0]=3 7736 B12R1.437 COc1cccc(c1C(=O)C)I 1458a_100010179659_200000210301 [0,2,0,0,0,0|1,0,0]=3 7737 B12R1.437 COc1cccc(c1C(=O)C)O 1458a_100000043310_200000210301 [0,2,0,0,0,0|1,0,0]=3 7738 B12R1.437 COc1cccc(c1C(=O)C)O 271570a_203496583355_100010725609 [0,2,0,0,0,0|1,0,0]=3 7739 B12R1.437 COc1cccc(c1C(=O)N)F 34a_100000701607_200000210301 [0,2,0,0,0,0|2,0,0]=4 7740 B12R1.437 COc1cccc(c1C(=O)N)F 7a_100000701607_200000210301 [0,2,0,0,0,0|2,0,0]=4 7741 B12R1.437 COc1cccc(c1C(=O)N)O 271570a_203496583355_200010146778 [0,2,0,0,0,0|2,0,0]=4 7742 B12R1.437 COc1cccc(c1C(=O)[13CH3])Br 1458a_100011593405_200025704644 [0,2,0,0,0,0|1,0,0]=3 7743 B12R1.437 COc1cccc(c1C(=O)[13CH3])C 1458a_100000066212_200025704644 [0,2,0,0,0,0|1,0,0]=3 7744 B12R1.437 COc1cccc(c1C(=O)[13CH3])Cl 1458a_100000743539_200025704644 [0,2,0,0,0,0|1,0,0]=3 7745 B12R1.437 COc1cccc(c1C(=O)[13CH3])F 1458a_100000759380_200025704644 [0,2,0,0,0,0|1,0,0]=3 7746 B12R1.437 COc1cccc(c1C(=O)[13CH3])I 1458a_100010179659_200025704644 [0,2,0,0,0,0|1,0,0]=3 7747 B12R1.437 COc1cccc(c1C(=O)[13CH3])O 1458a_100000043310_200025704644 [0,2,0,0,0,0|1,0,0]=3 7748 B12R1.437 COc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_200000210301 [0,2,0,0,0,0|2,0,0]=4 7749 B12R1.437 COc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_200000210301 [0,2,0,0,0,0|2,0,0]=4 7750 B12R1.437 COc1cccc(c1[N+](=O)[O-])C 34a_100000740142_200000210301 [0,2,0,0,0,0|2,0,0]=4 7751 B12R1.437 COc1cccc(c1[N+](=O)[O-])C 7a_100000740142_200000210301 [0,2,0,0,0,0|2,0,0]=4 7752 B12R1.437 COc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_200000210301 [0,2,0,0,0,0|2,0,0]=4 7753 B12R1.437 COc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_200000210301 [0,2,0,0,0,0|2,0,0]=4 7754 B12R1.437 COc1cccc(c1[N+](=O)[O-])F 34a_100011217962_200000210301 [0,2,0,0,0,0|2,0,0]=4 7755 B12R1.437 COc1cccc(c1[N+](=O)[O-])F 7a_100011217962_200000210301 [0,2,0,0,0,0|2,0,0]=4 7756 B12R1.437 COc1cccc(c1[N+](=O)[O-])I 7a_100010150324_200000210301 [0,2,0,0,0,0|2,0,0]=4 7757 B12R1.437 CSc1cccc(c1C(=O)C)F 62a_100012351873_200000210301 [0,2,0,0,0,0|1,1,0]=4 7758 B12R1.437 CSc1cccc(c1C(C)O)F 62a_100013085324_200000210301 [0,2,0,0,0,0|1,1,0]=4 7759 B12R1.437 CSc1cccc(c1C(C)O)F 62a_200000210301_100013085324 [0,2,0,0,0,0|1,1,0]=4 7760 B12R1.437 Cc1cccc(c1[N+](=O)[O-])O[13CH3] 34a_100000740142_200025704644 [0,2,0,0,0,0|2,0,0]=4 7761 B12R1.437 Cc1cccc(c1[N+](=O)[O-])O[13CH3] 7a_100000740142_200025704644 [0,2,0,0,0,0|2,0,0]=4 7762 B12R1.437 [13CH3]Oc1cccc(c1C(=O)N)F 34a_100000701607_200025704644 [0,2,0,0,0,0|2,0,0]=4 7763 B12R1.437 [13CH3]Oc1cccc(c1C(=O)N)F 7a_100000701607_200025704644 [0,2,0,0,0,0|2,0,0]=4 7764 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_200025704644 [0,2,0,0,0,0|2,0,0]=4 7765 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_200025704644 [0,2,0,0,0,0|2,0,0]=4 7766 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_200025704644 [0,2,0,0,0,0|2,0,0]=4 7767 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_200025704644 [0,2,0,0,0,0|2,0,0]=4 7768 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])F 34a_100011217962_200025704644 [0,2,0,0,0,0|2,0,0]=4 7769 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])F 7a_100011217962_200025704644 [0,2,0,0,0,0|2,0,0]=4 7770 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])I 7a_100010150324_200025704644 [0,2,0,0,0,0|2,0,0]=4 7771 B12R1.741 C=Cc1c(ccc(c1OC)Br)F 271570a_100011290941_200034458476 [0,2,0,0,0,0|1,0,1]=4 7772 B12R1.741 C=Cc1c(ccc(c1OC)F)F 271570a_100011290941_100010254772 [0,2,0,0,0,0|1,0,1]=4 7773 B12R1.741 C=Cc1c(ccc(c1OC)N)F 271570a_100011290941_102516457224 [0,2,0,0,0,0|1,0,1]=4 7774 B12R1.741 CNc1c(ccc(c1OC)F)F 34a_100009873038_200000210301 [0,2,0,0,0,0|1,0,0]=3 7775 B12R1.741 COc1c(ccc(c1C=O)F)O 271570a_203496583355_100010204292 [0,2,0,0,0,0|2,0,0]=4 7776 B12R1.741 COc1c(ccc(c1N[13CH3])F)F 34a_100009873038_200025704644 [0,2,0,0,0,0|1,0,0]=3 7777 B12R1.741 COc1c(ccc(c1OC)Br)F 34a_200010167157_200000210301 [0,2,0,0,0,0|0,0,0]=2 7778 B12R1.741 COc1c(ccc(c1OC)F)F 34a_100000118042_200000210301 [0,2,0,0,0,0|0,0,0]=2 7779 B12R1.741 COc1c(ccc(c1OC)F)F 7a_100000118042_200000210301 [0,2,0,0,0,0|0,0,0]=2 7780 B12R1.741 COc1c(ccc(c1O[13CH3])F)Br 34a_200010167157_200025704644 [0,2,0,0,0,0|0,0,0]=2 7781 B12R1.741 COc1c(ccc(c1O[13CH3])F)F 34a_100000118042_200025704644 [0,2,0,0,0,0|0,0,0]=2 7782 B12R1.741 COc1c(ccc(c1O[13CH3])F)F 7a_100000118042_200025704644 [0,2,0,0,0,0|0,0,0]=2 7783 B12R1.741 COc1c(ccc(c1SC)F)Br 62a_200000210301_200034458476 [0,2,0,0,0,0|0,1,0]=3 7784 B12R1.741 COc1c(ccc(c1SC)F)Br 62a_200034458476_200000210301 [0,2,0,0,0,0|0,1,0]=3 7785 B12R1.741 COc1c(ccc(c1SC)F)F 62a_100010254772_200000210301 [0,2,0,0,0,0|0,1,0]=3 7786 B12R1.741 COc1c(ccc(c1SC)F)F 62a_200000210301_100010254772 [0,2,0,0,0,0|0,1,0]=3 7787 B12R1.741 COc1c(ccc(c1SC)F)N 62a_102516457224_200000210301 [0,2,0,0,0,0|0,1,0]=3 7788 B12R1.741 COc1c(ccc(c1SC)F)N 62a_200000210301_102516457224 [0,2,0,0,0,0|0,1,0]=3 7789 B12R1.741 COc1c(ccc(c1S[13CH3])F)Br 62a_200025704644_200034458476 [0,2,0,0,0,0|0,1,0]=3 7790 B12R1.741 COc1c(ccc(c1S[13CH3])F)Br 62a_200034458476_200025704644 [0,2,0,0,0,0|0,1,0]=3 7791 B12R1.741 COc1c(ccc(c1S[13CH3])F)F 62a_100010254772_200025704644 [0,2,0,0,0,0|0,1,0]=3 7792 B12R1.741 COc1c(ccc(c1S[13CH3])F)F 62a_200025704644_100010254772 [0,2,0,0,0,0|0,1,0]=3 7793 B12R1.741 COc1c(ccc(c1S[13CH3])F)N 62a_102516457224_200025704644 [0,2,0,0,0,0|0,1,0]=3 7794 B12R1.741 COc1c(ccc(c1S[13CH3])F)N 62a_200025704644_102516457224 [0,2,0,0,0,0|0,1,0]=3 7795 B12R1.1879 C=Cc1c(cccc1OC)CO 271570a_100011290941_100010236476 [0,2,0,0,0,0|1,0,1]=4 7796 B12R1.1879 C=Cc1c(cccc1OC)OC 271570a_100011290941_100000050062 [0,2,0,0,0,0|1,0,1]=4 7797 B12R1.1879 C=Cc1cccc(c1C#N)OC 271570a_100011290941_100012356440 [0,2,0,0,0,0|2,0,0]=4 7798 B12R1.1879 C=Cc1cccc(c1C=O)OC 271570a_100011290941_100009814803 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.1879 C=Cc1cccc(c1OC)C#N 271570a_100011290941_100009817008 [0,2,0,0,0,0|1,0,1]=4 7800 B12R1.1879 C=Cc1cccc(c1OC)C=O 271570a_100011290941_100000692592 [0,2,0,0,0,0|1,0,1]=4 7801 B12R1.1879 C=Cc1cccc(c1OC)CO 271570a_100011290941_100000704359 [0,2,0,0,0,0|1,0,1]=4 7802 B12R1.1879 C=Cc1cccc(c1OC)OC 271570a_100011290941_100009815961 [0,2,0,0,0,0|0,0,0]=2 7803 B12R1.1879 C=Cc1ncnc(c1OC)OC 271570a_100011290941_100012964862 [0,2,0,0,0,0|2,0,0]=4 7804 B12R1.1879 CCc1cccc(c1NC)CC 2230a_100000211307_200000210301 [0,2,0,0,0,0|2,0,0]=4 7805 B12R1.1879 CCc1cccc(c1NC)CC 34a_100000211307_200000210301 [0,2,0,0,0,0|2,0,0]=4 7806 B12R1.1879 CCc1cccc(c1NC)CC 7a_100000211307_200000210301 [0,2,0,0,0,0|2,0,0]=4 7807 B12R1.1879 CCc1cccc(c1N[13CH3])CC 2230a_100000211307_200025704644 [0,2,0,0,0,0|2,0,0]=4 7808 B12R1.1879 CCc1cccc(c1N[13CH3])CC 34a_100000211307_200025704644 [0,2,0,0,0,0|2,0,0]=4 7809 B12R1.1879 CCc1cccc(c1N[13CH3])CC 7a_100000211307_200025704644 [0,2,0,0,0,0|2,0,0]=4 7810 B12R1.1879 CCc1cccc(c1OC)CC 34a_100000078057_200000210301 [0,2,0,0,0,0|1,0,0]=3 7811 B12R1.1879 CCc1cccc(c1OC)CC 7a_100000078057_200000210301 [0,2,0,0,0,0|1,0,0]=3 7812 B12R1.1879 CCc1cccc(c1O[13CH3])CC 34a_100000078057_200025704644 [0,2,0,0,0,0|1,0,0]=3 7813 B12R1.1879 CCc1cccc(c1O[13CH3])CC 7a_100000078057_200025704644 [0,2,0,0,0,0|1,0,0]=3 7814 B12R1.1879 CCc1cccc(c1SC)CC 62a_100010212195_200000210301 [0,2,0,0,0,0|1,1,0]=4 7815 B12R1.1879 CCc1cccc(c1SC)CC 62a_200000210301_100010212195 [0,2,0,0,0,0|1,1,0]=4 7816 B12R1.1879 CCc1cccc(c1S[13CH3])CC 62a_100010212195_200025704644 [0,2,0,0,0,0|1,1,0]=4 7817 B12R1.1879 CCc1cccc(c1S[13CH3])CC 62a_200025704644_100010212195 [0,2,0,0,0,0|1,1,0]=4 7818 B12R1.1879 CNc1c(cccc1OC)C#N 2230a_100000722693_200000210301 [0,2,0,0,0,0|1,0,0]=3 7819 B12R1.1879 CNc1c(cccc1OC)CO 34a_100011999522_200000210301 [0,2,0,0,0,0|1,0,0]=3 7820 B12R1.1879 CNc1c(cccc1OC)OC 2230a_100011218430_200000210301 [0,2,0,0,0,0|1,0,0]=3 7821 B12R1.1879 CNc1c(cccc1OC)OC 34a_100011218430_200000210301 [0,2,0,0,0,0|1,0,0]=3 7822 B12R1.1879 CNc1c(cccc1SC)OC 2230a_200012283368_200000210301 [0,2,0,0,0,0|1,0,0]=3 7823 B12R1.1879 CNc1c(cccc1SC)OC 34a_200012283368_200000210301 [0,2,0,0,0,0|1,0,0]=3 7824 B12R1.1879 CNc1cccc(c1OC)C#N 34a_100000128487_200000210301 [0,2,0,0,0,0|1,0,0]=3 7825 B12R1.1879 CNc1cccc(c1OC)OC 34a_100011217386_200000210301 [0,2,0,0,0,0|0,0,0]=2 7826 B12R1.1879 CNc1ncnc(c1OC)OC 27a_100102657272_100012964862 [0,2,0,0,0,0|2,0,0]=4 7827 B12R1.1879 COc1c(cccc1N[13CH3])C#N 34a_100000128487_200025704644 [0,2,0,0,0,0|1,0,0]=3 7828 B12R1.1879 COc1c(cccc1O[13CH3])C#N 34a_200009874251_200025704644 [0,2,0,0,0,0|0,0,0]=2 7829 B12R1.1879 COc1c(cccc1SC)C#N 62a_200000210301_100009817008 [0,2,0,0,0,0|0,1,0]=3 7830 B12R1.1879 COc1c(cccc1SC)C=O 62a_100000692592_200000210301 [0,2,0,0,0,0|0,1,0]=3 7831 B12R1.1879 COc1c(cccc1SC)C=O 62a_200000210301_100000692592 [0,2,0,0,0,0|0,1,0]=3 7832 B12R1.1879 COc1c(cccc1SC)CO 62a_100000704359_200000210301 [0,2,0,0,0,0|0,1,0]=3 7833 B12R1.1879 COc1c(cccc1SC)CO 62a_200000210301_100000704359 [0,2,0,0,0,0|0,1,0]=3 7834 B12R1.1879 COc1c(cccc1S[13CH3])C#N 62a_200025704644_100009817008 [0,2,0,0,0,0|0,1,0]=3 7835 B12R1.1879 COc1c(cccc1S[13CH3])C=O 62a_100000692592_200025704644 [0,2,0,0,0,0|0,1,0]=3 7836 B12R1.1879 COc1c(cccc1S[13CH3])C=O 62a_200025704644_100000692592 [0,2,0,0,0,0|0,1,0]=3 7837 B12R1.1879 COc1c(cccc1S[13CH3])CO 62a_100000704359_200025704644 [0,2,0,0,0,0|0,1,0]=3 7838 B12R1.1879 COc1c(cccc1S[13CH3])CO 62a_200025704644_100000704359 [0,2,0,0,0,0|0,1,0]=3 7839 B12R1.1879 COc1c(ccnc1CO)SC 62a_100009869429_200000210301 [0,2,0,0,0,0|1,1,0]=4 7840 B12R1.1879 COc1c(ccnc1CO)SC 62a_200000210301_100009869429 [0,2,0,0,0,0|1,1,0]=4 7841 B12R1.1879 COc1c(ccnc1CO)S[13CH3] 62a_100009869429_200025704644 [0,2,0,0,0,0|1,1,0]=4 7842 B12R1.1879 COc1c(ccnc1CO)S[13CH3] 62a_200025704644_100009869429 [0,2,0,0,0,0|1,1,0]=4 7843 B12R1.1879 COc1c(ccnc1SC)C=O 62a_200000210301_100009863717 [0,2,0,0,0,0|1,1,0]=4 7844 B12R1.1879 COc1c(ccnc1SC)C=O 62a_200009814792_200000210301 [0,2,0,0,0,0|1,1,0]=4 7845 B12R1.1879 COc1c(ccnc1S[13CH3])C=O 62a_200009814792_200025704644 [0,2,0,0,0,0|1,1,0]=4 7846 B12R1.1879 COc1c(ccnc1S[13CH3])C=O 62a_200025704644_100009863717 [0,2,0,0,0,0|1,1,0]=4 7847 B12R1.1879 COc1c(cncc1SC)C#N 62a_200000210301_100016142170 [0,2,0,0,0,0|1,1,0]=4 7848 B12R1.1879 COc1c(cncc1SC)C=O 62a_100015834815_200000210301 [0,2,0,0,0,0|1,1,0]=4 7849 B12R1.1879 COc1c(cncc1SC)C=O 62a_200000210301_100015834815 [0,2,0,0,0,0|1,1,0]=4 7850 B12R1.1879 COc1c(cncc1S[13CH3])C#N 62a_200025704644_100016142170 [0,2,0,0,0,0|1,1,0]=4 7851 B12R1.1879 COc1c(cncc1S[13CH3])C=O 62a_100015834815_200025704644 [0,2,0,0,0,0|1,1,0]=4 7852 B12R1.1879 COc1c(cncc1S[13CH3])C=O 62a_200025704644_100015834815 [0,2,0,0,0,0|1,1,0]=4 7853 B12R1.1879 COc1cccc(c1C#N)SC 62a_200000210301_100012356440 [0,2,0,0,0,0|2,0,0]=4 7854 B12R1.1879 COc1cccc(c1C#N)S[13CH3] 62a_200025704644_100012356440 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.1879 COc1cccc(c1C=O)SC 62a_100009814803_200000210301 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.1879 COc1cccc(c1C=O)S[13CH3] 62a_100009814803_200025704644 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.1879 COc1cccc(c1N[13CH3])C#N 2230a_100000722693_200025704644 [0,2,0,0,0,0|1,0,0]=3 7858 B12R1.1879 COc1cccc(c1N[13CH3])CO 34a_100011999522_200025704644 [0,2,0,0,0,0|1,0,0]=3 7859 B12R1.1879 COc1cccc(c1N[13CH3])OC 2230a_100011218430_200025704644 [0,2,0,0,0,0|1,0,0]=3 7860 B12R1.1879 COc1cccc(c1N[13CH3])OC 34a_100011218430_200025704644 [0,2,0,0,0,0|1,0,0]=3 7861 B12R1.1879 COc1cccc(c1N[13CH3])SC 2230a_200012283368_200025704644 [0,2,0,0,0,0|1,0,0]=3 7862 B12R1.1879 COc1cccc(c1N[13CH3])SC 34a_200012283368_200025704644 [0,2,0,0,0,0|1,0,0]=3 7863 B12R1.1879 COc1cccc(c1OC)C#N 34a_100011934230_200000210301 [0,2,0,0,0,0|0,0,0]=2 7864 B12R1.1879 COc1cccc(c1OC)C#N 34a_200009874251_200000210301 [0,2,0,0,0,0|0,0,0]=2 7865 B12R1.1879 COc1cccc(c1OC)CO 34a_100011218668_200000210301 [0,2,0,0,0,0|0,0,0]=2 7866 B12R1.1879 COc1cccc(c1OC)N[13CH3] 34a_100011217386_200025704644 [0,2,0,0,0,0|0,0,0]=2 7867 B12R1.1879 COc1cccc(c1OC)OC 34a_100000032319_200000210301 [0,2,0,0,0,0|0,0,0]=2 7868 B12R1.1879 COc1cccc(c1OC)OC 34a_100000211025_200000210301 [0,2,0,0,0,0|0,0,0]=2 7869 B12R1.1879 COc1cccc(c1OC)O[13CH3] 34a_100000032319_200025704644 [0,2,0,0,0,0|0,0,0]=2 7870 B12R1.1879 COc1cccc(c1OC)SC 62a_200000210301_100010163134 [0,2,0,0,0,0|0,0,0]=2 7871 B12R1.1879 COc1cccc(c1OC)S[13CH3] 62a_200025704644_100010163134 [0,2,0,0,0,0|0,0,0]=2 7872 B12R1.1879 COc1cccc(c1O[13CH3])C#N 34a_100011934230_200025704644 [0,2,0,0,0,0|0,0,0]=2 7873 B12R1.1879 COc1cccc(c1O[13CH3])CO 34a_100011218668_200025704644 [0,2,0,0,0,0|0,0,0]=2 7874 B12R1.1879 COc1cccc(c1O[13CH3])OC 34a_100000211025_200025704644 [0,2,0,0,0,0|0,0,0]=2 7875 B12R1.1879 COc1cccc(c1SC)C=O 62a_100010209554_200000210301 [0,2,0,0,0,0|0,1,0]=3 7876 B12R1.1879 COc1cccc(c1SC)C=O 62a_200000210301_100010209554 [0,2,0,0,0,0|0,1,0]=3 7877 B12R1.1879 COc1cccc(c1SC)CO 62a_100010236476_200000210301 [0,2,0,0,0,0|0,1,0]=3 7878 B12R1.1879 COc1cccc(c1SC)CO 62a_200000210301_100010236476 [0,2,0,0,0,0|0,1,0]=3 7879 B12R1.1879 COc1cccc(c1SC)OC 62a_100000690108_200000210301 [0,2,0,0,0,0|0,1,0]=3 7880 B12R1.1879 COc1cccc(c1SC)OC 62a_200000210301_100000690108 [0,2,0,0,0,0|0,1,0]=3 7881 B12R1.1879 COc1cccc(c1S[13CH3])C=O 62a_100010209554_200025704644 [0,2,0,0,0,0|0,1,0]=3 7882 B12R1.1879 COc1cccc(c1S[13CH3])C=O 62a_200025704644_100010209554 [0,2,0,0,0,0|0,1,0]=3 7883 B12R1.1879 COc1cccc(c1S[13CH3])CO 62a_100010236476_200025704644 [0,2,0,0,0,0|0,1,0]=3 7884 B12R1.1879 COc1cccc(c1S[13CH3])CO 62a_200025704644_100010236476 [0,2,0,0,0,0|0,1,0]=3 7885 B12R1.1879 COc1cccc(c1S[13CH3])OC 62a_100000690108_200025704644 [0,2,0,0,0,0|0,1,0]=3 7886 B12R1.1879 COc1cccc(c1S[13CH3])OC 62a_200025704644_100000690108 [0,2,0,0,0,0|0,1,0]=3 7887 B12R1.1879 COc1ccnc(c1SC)OC 62a_100010114374_200000210301 [0,2,0,0,0,0|1,1,0]=4 7888 B12R1.1879 COc1ccnc(c1SC)OC 62a_200000210301_100010114374 [0,2,0,0,0,0|1,1,0]=4 7889 B12R1.1879 COc1ccnc(c1S[13CH3])OC 62a_100010114374_200025704644 [0,2,0,0,0,0|1,1,0]=4 7890 B12R1.1879 COc1ccnc(c1S[13CH3])OC 62a_200025704644_100010114374 [0,2,0,0,0,0|1,1,0]=4 7891 B12R1.1879 COc1cncc(c1SC)OC 62a_200000210301_200010191558 [0,2,0,0,0,0|1,1,0]=4 7892 B12R1.1879 COc1cncc(c1SC)OC 62a_200010191558_200000210301 [0,2,0,0,0,0|1,1,0]=4 7893 B12R1.1879 COc1cncc(c1S[13CH3])OC 62a_200010191558_200025704644 [0,2,0,0,0,0|1,1,0]=4 7894 B12R1.1879 COc1cncc(c1S[13CH3])OC 62a_200025704644_200010191558 [0,2,0,0,0,0|1,1,0]=4 7895 B12R1.1879 COc1nccc(c1SC)C#N 62a_200000210301_200000050020 [0,2,0,0,0,0|1,1,0]=4 7896 B12R1.1879 COc1nccc(c1S[13CH3])C#N 62a_200025704644_200000050020 [0,2,0,0,0,0|1,1,0]=4 7897 B12R1.1879 COc1ncnc(c1OC)SC 62a_200000210301_100012964862 [0,2,0,0,0,0|2,0,0]=4 7898 B12R1.1879 COc1ncnc(c1OC)S[13CH3] 62a_200025704644_100012964862 [0,2,0,0,0,0|2,0,0]=4 7899 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [0,0,1,1,0,0|2,0,0]=4 7900 B10R1.172 C=Cc1cc(cnn1)OC 271570a_100011290941_100000087634 [0,0,1,1,0,0|2,0,0]=4 7901 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,0,1,1,0,0|1,0,1]=4 7902 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,0,1,1,0,0|1,0,1]=4 7903 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,0,1,1,0,0|1,0,1]=4 7904 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,0,1,1,0,0|1,0,1]=4 7905 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,0,1,1,0,0|1,0,1]=4 7906 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [0,0,1,1,0,0|1,0,1]=4 7907 B10R1.176 COc1ccc(c(c1)C)Br 34a_100000690111_200000210301 [0,0,1,1,0,0|2,0,0]=4 7908 B10R1.176 COc1ccc(c(c1)C)Br 7a_100000690111_200000210301 [0,0,1,1,0,0|2,0,0]=4 7909 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [0,0,1,1,0,0|1,0,1]=4 7910 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [0,0,1,1,0,0|1,0,1]=4 7911 B10R1.176 COc1ccc(c(c1)C)Cl 34a_100000211092_200000210301 [0,0,1,1,0,0|2,0,0]=4 7912 B10R1.176 COc1ccc(c(c1)C)Cl 7a_100000211092_200000210301 [0,0,1,1,0,0|2,0,0]=4 7913 B10R1.176 COc1ccc(c(c1)C)F 34a_100000751312_200000210301 [0,0,1,1,0,0|2,0,0]=4 7914 B10R1.176 COc1ccc(c(c1)C)F 7a_100000751312_200000210301 [0,0,1,1,0,0|2,0,0]=4 7915 B10R1.176 COc1ccc(c(c1)C)I 34a_100000729255_200000210301 [0,0,1,1,0,0|2,0,0]=4 7916 B10R1.176 COc1ccc(c(c1)C)I 7a_100000729255_200000210301 [0,0,1,1,0,0|2,0,0]=4 7917 B10R1.176 COc1ccc(c(c1)C)N 34a_100000756630_200000210301 [0,0,1,1,0,0|2,0,0]=4 7918 B10R1.176 COc1ccc(c(c1)C)N 7a_100000756630_200000210301 [0,0,1,1,0,0|2,0,0]=4 7919 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [0,0,1,1,0,0|2,0,0]=4 7920 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 34a_100000690111_200025704644 [0,0,1,1,0,0|2,0,0]=4 7921 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 7a_100000690111_200025704644 [0,0,1,1,0,0|2,0,0]=4 7922 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 34a_100000211092_200025704644 [0,0,1,1,0,0|2,0,0]=4 7923 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 7a_100000211092_200025704644 [0,0,1,1,0,0|2,0,0]=4 7924 B10R1.176 Cc1cc(ccc1F)O[13CH3] 34a_100000751312_200025704644 [0,0,1,1,0,0|2,0,0]=4 7925 B10R1.176 Cc1cc(ccc1F)O[13CH3] 7a_100000751312_200025704644 [0,0,1,1,0,0|2,0,0]=4 7926 B10R1.176 Cc1cc(ccc1I)O[13CH3] 34a_100000729255_200025704644 [0,0,1,1,0,0|2,0,0]=4 7927 B10R1.176 Cc1cc(ccc1I)O[13CH3] 7a_100000729255_200025704644 [0,0,1,1,0,0|2,0,0]=4 7928 B10R1.176 Cc1cc(ccc1N)O[13CH3] 34a_100000756630_200025704644 [0,0,1,1,0,0|2,0,0]=4 7929 B10R1.176 Cc1cc(ccc1N)O[13CH3] 7a_100000756630_200025704644 [0,0,1,1,0,0|2,0,0]=4 7930 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [0,0,1,1,0,0|1,0,1]=4 7931 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [0,0,1,1,0,0|1,0,1]=4 7932 B10R1.21 COCC=Cc1ccoc1 271570a_100016286323_100011215275 [0,0,1,1,0,0|0,0,2]=4 7933 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,1,0,1,0,0|2,0,0]=4 7934 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,1,0,1,0,0|2,0,0]=4 7935 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,1,0,1,0,0|2,0,0]=4 7936 B12R2.24 Oc1ccc2c(c1)CCCC2 271570a_203496583355_100011221367 [0,1,0,1,0,0|2,0,0]=4 7937 B12R2.24 Oc1ccc2c(c1)CCCN2 271570a_203496583355_100016994925 [0,1,0,1,0,0|2,0,0]=4 7938 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [0,1,0,1,0,0|1,0,0]=3 7939 B12R2.24 Oc1ccc2c(c1)NCCC2 271570a_203496583355_100010196366 [0,1,0,1,0,0|2,0,0]=4 7940 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [0,1,0,1,0,0|1,0,0]=3 7941 B12R2.24 Oc1ccc2c(c1)NCCS2 271570a_203496583355_100013243616 [0,1,0,1,0,0|1,1,0]=4 7942 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [0,1,0,1,0,0|1,0,0]=3 7943 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [0,1,0,1,0,0|1,0,0]=3 7944 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [0,1,0,1,0,0|0,0,0]=2 7945 B12R2.24 Oc1ccc2c(n1)NCCO2 271570a_203496583355_100010209492 [0,1,0,1,0,0|2,0,0]=4 7946 B12R2.24 Oc1cnc2c(c1)CCCO2 271570a_203496583355_100010109689 [0,1,0,1,0,0|2,0,0]=4 7947 B12R2.24 Oc1cnc2c(c1)NCCO2 271570a_203496583355_100000700286 [0,1,0,1,0,0|2,0,0]=4 7948 B12R2.24 Oc1cnc2c(c1)OCCN2 271570a_203496583355_100009816924 [0,1,0,1,0,0|2,0,0]=4 7949 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,1,0,1,0,0|2,0,0]=4 7950 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,1,0,1,0,0|2,0,0]=4 7951 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,1,0,1,0,0|2,0,0]=4 7952 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [0,1,0,1,0,0|1,0,1]=4 7953 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [0,1,0,1,0,0|2,0,0]=4 7954 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,1,0,1,0,0|2,0,0]=4 7955 B12R2.612 CN1CCc2c1ccc(c2)O 271570a_203496583355_100009815432 [0,1,0,1,0,0|2,0,0]=4 7956 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,1,0,1,0,0|1,0,1]=4 7957 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,1,0,1,0,0|2,0,0]=4 7958 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,1,0,1,0,0|2,0,0]=4 7959 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,1,0,1,0,0|2,0,0]=4 7960 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,1,0,1,0,0|2,0,0]=4 7961 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,1,0,1,0,0|2,0,0]=4 7962 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,1,0,1,0,0|1,0,0]=3 7963 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,1,0,1,0,0|2,0,0]=4 7964 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,1,0,1,0,0|2,0,0]=4 7965 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,1,0,1,0,0|1,0,0]=3 7966 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,1,0,1,0,0|1,0,0]=3 7967 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,1,0,1,0,0|0,1,1]=4 7968 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,1,0,1,0,0|0,1,1]=4 7969 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,1,0,1,0,0|1,1,0]=4 7970 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,1,0,1,0,0|0,1,1]=4 7971 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,1,0,1,0,0|1,1,0]=4 7972 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,1,0,1,0,0|1,1,0]=4 7973 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,1,0,1,0,0|1,0,0]=3 7974 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,1,0,1,0,0|2,0,0]=4 7975 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,1,0,1,0,0|2,0,0]=4 7976 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,1,0,1,0,0|1,0,0]=3 7977 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,1,0,1,0,0|1,0,0]=3 7978 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,1,0,1,0,0|0,1,1]=4 7979 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,1,0,1,0,0|0,1,1]=4 7980 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,1,0,1,0,0|1,1,0]=4 7981 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,1,0,1,0,0|0,1,1]=4 7982 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,1,0,1,0,0|1,1,0]=4 7983 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,1,0,1,0,0|1,1,0]=4 7984 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,1,0,1,0,0|2,0,0]=4 7985 B12R2.315 C=Cc1cccc2c1COC2 271570a_100011290941_100010384907 [0,1,0,1,0,0|1,0,1]=4 7986 B12R2.315 C=Cc1cccc2c1OCC2 271570a_100011290941_100009818991 [0,1,0,1,0,0|1,0,1]=4 7987 B12R2.315 C=Cc1cccc2c1OCO2 271570a_100011290941_100009814252 [0,1,0,1,0,0|1,0,1]=4 7988 B12R2.315 CNc1cccc2c1CCC2 2230a_100000043548_200000210301 [0,1,0,1,0,0|2,0,0]=4 7989 B12R2.315 CNc1cccc2c1CCC2 34a_100000043548_200000210301 [0,1,0,1,0,0|2,0,0]=4 7990 B12R2.315 CNc1cccc2c1CCO2 2230a_100000084147_200000210301 [0,1,0,1,0,0|2,0,0]=4 7991 B12R2.315 CNc1cccc2c1CCO2 34a_100000084147_200000210301 [0,1,0,1,0,0|2,0,0]=4 7992 B12R2.315 CNc1cccc2c1COC2 2230a_100000125316_200000210301 [0,1,0,1,0,0|1,0,0]=3 7993 B12R2.315 CNc1cccc2c1COC2 34a_100000125316_200000210301 [0,1,0,1,0,0|1,0,0]=3 7994 B12R2.315 CNc1cccc2c1OCC2 2230a_100000102157_200000210301 [0,1,0,1,0,0|1,0,0]=3 7995 B12R2.315 CNc1cccc2c1OCC2 34a_100000102157_200000210301 [0,1,0,1,0,0|1,0,0]=3 7996 B12R2.315 CNc1cccc2c1OCO2 2230a_100000699912_200000210301 [0,1,0,1,0,0|1,0,0]=3 7997 B12R2.315 CNc1cccc2c1OCO2 34a_100000699912_200000210301 [0,1,0,1,0,0|1,0,0]=3 7998 B12R2.315 CNc1cccc2c1non2 27a_100102657272_100009820244 [0,1,0,1,0,0|2,0,0]=4 7999 B12R2.315 COc1cccc2c1CCC2 34a_100000074356_200000210301 [0,1,0,1,0,0|1,0,0]=3 8000 B12R2.315 COc1cccc2c1CCC2 7a_100000074356_200000210301 [0,1,0,1,0,0|1,0,0]=3 8001 B12R2.315 COc1cccc2c1CCN2 34a_100000703684_200000210301 [0,1,0,1,0,0|1,0,0]=3 8002 B12R2.315 COc1cccc2c1CCO2 34a_100000090053_200000210301 [0,1,0,1,0,0|1,0,0]=3 8003 B12R2.315 COc1cccc2c1CCO2 7a_100000090053_200000210301 [0,1,0,1,0,0|1,0,0]=3 8004 B12R2.315 COc1cccc2c1CNC2 34a_100015191671_200000210301 [0,1,0,1,0,0|1,0,0]=3 8005 B12R2.315 COc1cccc2c1OCO2 34a_100000046630_200000210301 [0,1,0,1,0,0|0,0,0]=2 8006 B12R2.315 COc1cccc2c1OCO2 7a_100000046630_200000210301 [0,1,0,1,0,0|0,0,0]=2 8007 B12R2.315 COc1cccc2c1cc[nH]2 34a_100000763377_200000210301 [0,1,0,1,0,0|1,0,1]=4 8008 B12R2.315 COc1cccc2c1ccs2 34a_100000077759_200000210301 [0,1,0,1,0,0|1,0,1]=4 8009 B12R2.315 COc1cccc2c1ccs2 7a_100000077759_200000210301 [0,1,0,1,0,0|1,0,1]=4 8010 B12R2.315 COc1cccc2c1ncs2 34a_100000101385_200000210301 [0,1,0,1,0,0|1,0,1]=4 8011 B12R2.315 COc1cccc2c1ncs2 7a_100000101385_200000210301 [0,1,0,1,0,0|1,0,1]=4 8012 B12R2.315 CSc1cccc2c1CCC2 62a_100010343934_200000210301 [0,1,0,1,0,0|1,1,0]=4 8013 B12R2.315 CSc1cccc2c1CCC2 62a_200000210301_100010343934 [0,1,0,1,0,0|1,1,0]=4 8014 B12R2.315 CSc1cccc2c1CCN2 62a_100009817896_200000210301 [0,1,0,1,0,0|1,1,0]=4 8015 B12R2.315 CSc1cccc2c1CCN2 62a_200000210301_100009817896 [0,1,0,1,0,0|1,1,0]=4 8016 B12R2.315 CSc1cccc2c1CCO2 62a_100009819624_200000210301 [0,1,0,1,0,0|1,1,0]=4 8017 B12R2.315 CSc1cccc2c1CCO2 62a_200000210301_100009819624 [0,1,0,1,0,0|1,1,0]=4 8018 B12R2.315 CSc1cccc2c1CNC2 62a_100000703859_200000210301 [0,1,0,1,0,0|1,1,0]=4 8019 B12R2.315 CSc1cccc2c1CNC2 62a_200000210301_100000703859 [0,1,0,1,0,0|1,1,0]=4 8020 B12R2.315 CSc1cccc2c1COC2 62a_100010384907_200000210301 [0,1,0,1,0,0|0,1,0]=3 8021 B12R2.315 CSc1cccc2c1COC2 62a_200000210301_100010384907 [0,1,0,1,0,0|0,1,0]=3 8022 B12R2.315 CSc1cccc2c1NCC2 62a_100016995435_200000210301 [0,1,0,1,0,0|1,1,0]=4 8023 B12R2.315 CSc1cccc2c1NCC2 62a_200000210301_100016995435 [0,1,0,1,0,0|1,1,0]=4 8024 B12R2.315 CSc1cccc2c1OCC2 62a_100009818991_200000210301 [0,1,0,1,0,0|0,1,0]=3 8025 B12R2.315 CSc1cccc2c1OCC2 62a_200000210301_100009818991 [0,1,0,1,0,0|0,1,0]=3 8026 B12R2.315 CSc1cccc2c1non2 62a_100009820244_200000210301 [0,1,0,1,0,0|1,1,0]=4 8027 B12R2.315 CSc1cccc2c1non2 62a_200000210301_100009820244 [0,1,0,1,0,0|1,1,0]=4 8028 B12R2.315 CSc1cccc2c1occ2 62a_200000210301_100011935138 [0,1,0,1,0,0|0,1,1]=4 8029 B12R2.315 CSc1cccc2c1ocn2 62a_200000210301_100000728214 [0,1,0,1,0,0|0,1,1]=4 8030 B12R2.315 CSc1cccc2c1onc2 62a_200000210301_100000765530 [0,1,0,1,0,0|0,1,1]=4 8031 B12R2.315 [13CH3]Nc1cccc2c1CCC2 2230a_100000043548_200025704644 [0,1,0,1,0,0|2,0,0]=4 8032 B12R2.315 [13CH3]Nc1cccc2c1CCC2 34a_100000043548_200025704644 [0,1,0,1,0,0|2,0,0]=4 8033 B12R2.315 [13CH3]Nc1cccc2c1CCO2 2230a_100000084147_200025704644 [0,1,0,1,0,0|2,0,0]=4 8034 B12R2.315 [13CH3]Nc1cccc2c1CCO2 34a_100000084147_200025704644 [0,1,0,1,0,0|2,0,0]=4 8035 B12R2.315 [13CH3]Nc1cccc2c1COC2 2230a_100000125316_200025704644 [0,1,0,1,0,0|1,0,0]=3 8036 B12R2.315 [13CH3]Nc1cccc2c1COC2 34a_100000125316_200025704644 [0,1,0,1,0,0|1,0,0]=3 8037 B12R2.315 [13CH3]Nc1cccc2c1OCC2 2230a_100000102157_200025704644 [0,1,0,1,0,0|1,0,0]=3 8038 B12R2.315 [13CH3]Nc1cccc2c1OCC2 34a_100000102157_200025704644 [0,1,0,1,0,0|1,0,0]=3 8039 B12R2.315 [13CH3]Nc1cccc2c1OCO2 2230a_100000699912_200025704644 [0,1,0,1,0,0|1,0,0]=3 8040 B12R2.315 [13CH3]Nc1cccc2c1OCO2 34a_100000699912_200025704644 [0,1,0,1,0,0|1,0,0]=3 8041 B12R2.315 [13CH3]Oc1cccc2c1CCC2 34a_100000074356_200025704644 [0,1,0,1,0,0|1,0,0]=3 8042 B12R2.315 [13CH3]Oc1cccc2c1CCC2 7a_100000074356_200025704644 [0,1,0,1,0,0|1,0,0]=3 8043 B12R2.315 [13CH3]Oc1cccc2c1CCN2 34a_100000703684_200025704644 [0,1,0,1,0,0|1,0,0]=3 8044 B12R2.315 [13CH3]Oc1cccc2c1CCO2 34a_100000090053_200025704644 [0,1,0,1,0,0|1,0,0]=3 8045 B12R2.315 [13CH3]Oc1cccc2c1CCO2 7a_100000090053_200025704644 [0,1,0,1,0,0|1,0,0]=3 8046 B12R2.315 [13CH3]Oc1cccc2c1CNC2 34a_100015191671_200025704644 [0,1,0,1,0,0|1,0,0]=3 8047 B12R2.315 [13CH3]Oc1cccc2c1OCO2 34a_100000046630_200025704644 [0,1,0,1,0,0|0,0,0]=2 8048 B12R2.315 [13CH3]Oc1cccc2c1OCO2 7a_100000046630_200025704644 [0,1,0,1,0,0|0,0,0]=2 8049 B12R2.315 [13CH3]Oc1cccc2c1cc[nH]2 34a_100000763377_200025704644 [0,1,0,1,0,0|1,0,1]=4 8050 B12R2.315 [13CH3]Oc1cccc2c1ccs2 34a_100000077759_200025704644 [0,1,0,1,0,0|1,0,1]=4 8051 B12R2.315 [13CH3]Oc1cccc2c1ccs2 7a_100000077759_200025704644 [0,1,0,1,0,0|1,0,1]=4 8052 B12R2.315 [13CH3]Oc1cccc2c1ncs2 34a_100000101385_200025704644 [0,1,0,1,0,0|1,0,1]=4 8053 B12R2.315 [13CH3]Oc1cccc2c1ncs2 7a_100000101385_200025704644 [0,1,0,1,0,0|1,0,1]=4 8054 B12R2.315 [13CH3]Sc1cccc2c1CCC2 62a_100010343934_200025704644 [0,1,0,1,0,0|1,1,0]=4 8055 B12R2.315 [13CH3]Sc1cccc2c1CCC2 62a_200025704644_100010343934 [0,1,0,1,0,0|1,1,0]=4 8056 B12R2.315 [13CH3]Sc1cccc2c1CCN2 62a_100009817896_200025704644 [0,1,0,1,0,0|1,1,0]=4 8057 B12R2.315 [13CH3]Sc1cccc2c1CCN2 62a_200025704644_100009817896 [0,1,0,1,0,0|1,1,0]=4 8058 B12R2.315 [13CH3]Sc1cccc2c1CCO2 62a_100009819624_200025704644 [0,1,0,1,0,0|1,1,0]=4 8059 B12R2.315 [13CH3]Sc1cccc2c1CCO2 62a_200025704644_100009819624 [0,1,0,1,0,0|1,1,0]=4 8060 B12R2.315 [13CH3]Sc1cccc2c1CNC2 62a_100000703859_200025704644 [0,1,0,1,0,0|1,1,0]=4 8061 B12R2.315 [13CH3]Sc1cccc2c1CNC2 62a_200025704644_100000703859 [0,1,0,1,0,0|1,1,0]=4 8062 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_100010384907_200025704644 [0,1,0,1,0,0|0,1,0]=3 8063 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_200025704644_100010384907 [0,1,0,1,0,0|0,1,0]=3 8064 B12R2.315 [13CH3]Sc1cccc2c1NCC2 62a_100016995435_200025704644 [0,1,0,1,0,0|1,1,0]=4 8065 B12R2.315 [13CH3]Sc1cccc2c1NCC2 62a_200025704644_100016995435 [0,1,0,1,0,0|1,1,0]=4 8066 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_100009818991_200025704644 [0,1,0,1,0,0|0,1,0]=3 8067 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_200025704644_100009818991 [0,1,0,1,0,0|0,1,0]=3 8068 B12R2.315 [13CH3]Sc1cccc2c1non2 62a_100009820244_200025704644 [0,1,0,1,0,0|1,1,0]=4 8069 B12R2.315 [13CH3]Sc1cccc2c1non2 62a_200025704644_100009820244 [0,1,0,1,0,0|1,1,0]=4 8070 B12R2.315 [13CH3]Sc1cccc2c1occ2 62a_200025704644_100011935138 [0,1,0,1,0,0|0,1,1]=4 8071 B12R2.315 [13CH3]Sc1cccc2c1ocn2 62a_200025704644_100000728214 [0,1,0,1,0,0|0,1,1]=4 8072 B12R2.315 [13CH3]Sc1cccc2c1onc2 62a_200025704644_100000765530 [0,1,0,1,0,0|0,1,1]=4 8073 B12R2.1081 Oc1cccc2c1CCCC2 271570a_203496583355_100012354034 [0,1,0,1,0,0|2,0,0]=4 8074 B12R2.1081 Oc1cccc2c1CCCN2 271570a_203496583355_100010196365 [0,1,0,1,0,0|2,0,0]=4 8075 B12R2.1081 Oc1cccc2c1CCCO2 271570a_203496583355_100010188023 [0,1,0,1,0,0|1,0,0]=3 8076 B12R2.1081 Oc1cccc2c1NCCO2 271570a_203496583355_100015018771 [0,1,0,1,0,0|1,0,0]=3 8077 B12R2.1081 Oc1cccc2c1OCCC2 271570a_203496583355_100010204675 [0,1,0,1,0,0|1,0,0]=3 8078 B12R2.1081 Oc1cccc2c1OCCN2 271570a_203496583355_100000726803 [0,1,0,1,0,0|1,0,0]=3 8079 B12R2.1081 Oc1cccc2c1OCCO2 271570a_203496583355_100009815980 [0,1,0,1,0,0|0,0,0]=2 8080 B12R2.1081 Oc1nccc2c1NCCO2 271570a_203496583355_100009829486 [0,1,0,1,0,0|2,0,0]=4 8081 B12R2.2048 CCc1ccccc1C2CC2 271570a_100011220607_100011215823 [0,1,0,1,0,0|2,0,0]=4 8082 B12R2.2048 CNc1ccccc1C2CC2 271570a_100011220607_100020606079 [0,1,0,1,0,0|2,0,0]=4 8083 B12R2.2048 CNc1ccccc1C2CC2 34a_100011236190_200000210301 [0,1,0,1,0,0|2,0,0]=4 8084 B12R2.2048 COc1ccccc1C2CC2 271570a_100011220607_100000174000 [0,1,0,1,0,0|1,0,0]=3 8085 B12R2.2048 COc1cccnc1C2CC2 271570a_100011220607_100000690851 [0,1,0,1,0,0|2,0,0]=4 8086 B12R2.2048 COc1ccncc1C2CC2 271570a_100011220607_100011997281 [0,1,0,1,0,0|2,0,0]=4 8087 B12R2.2048 COc1cnccc1C2CC2 271570a_100011220607_100016988167 [0,1,0,1,0,0|2,0,0]=4 8088 B12R2.2048 COc1ncccc1C2CC2 271570a_100011220607_100000047025 [0,1,0,1,0,0|2,0,0]=4 8089 B12R2.2048 CSc1ccccc1C2CC2 271570a_100011220607_100011217816 [0,1,0,1,0,0|1,1,0]=4 8090 B12R2.2048 CSc1ccccc1C2CC2 62a_100009819954_200000210301 [0,1,0,1,0,0|1,1,0]=4 8091 B12R2.2048 CSc1ccccc1C2CC2 62a_200000210301_100009819954 [0,1,0,1,0,0|1,1,0]=4 8092 B12R2.2048 [13CH3]Nc1ccccc1C2CC2 34a_100011236190_200025704644 [0,1,0,1,0,0|2,0,0]=4 8093 B12R2.2048 [13CH3]Sc1ccccc1C2CC2 62a_100009819954_200025704644 [0,1,0,1,0,0|1,1,0]=4 8094 B12R2.2048 [13CH3]Sc1ccccc1C2CC2 62a_200025704644_100009819954 [0,1,0,1,0,0|1,1,0]=4 8095 B12R2.196 NC1COc2c1cccc2O 271570a_203496583355_100025715106 [0,1,0,1,0,0|2,0,0]=4 8096 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [0,1,0,1,0,0|2,0,0]=4 8097 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [0,1,0,1,0,0|2,0,0]=4 8098 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,0,0,0,1,0|2,0,0]=4 8099 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [1,0,0,0,1,0|2,0,0]=4 8100 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [1,0,0,0,1,0|2,0,0]=4 8101 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [1,0,0,0,1,0|2,0,0]=4 8102 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [1,0,0,0,1,0|1,1,0]=4 8103 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [1,0,0,0,1,0|1,1,0]=4 8104 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [1,0,0,0,1,0|1,1,0]=4 8105 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [1,0,0,0,1,0|1,1,0]=4 8106 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,0,0,0,1,0|1,1,0]=4 8107 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,0,0,0,1,0|1,1,0]=4 8108 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,0,0,0,1,0|1,1,0]=4 8109 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,0,0,0,1,0|1,1,0]=4 8110 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,0,0,0,1,0|1,1,0]=4 8111 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [1,0,0,0,1,0|1,1,0]=4 8112 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [1,0,0,0,1,0|1,1,0]=4 8113 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [1,0,0,0,1,0|1,1,0]=4 8114 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [1,0,0,0,1,0|1,1,0]=4 8115 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [1,0,0,0,1,0|2,0,0]=4