0 B11R1.41 C#Cc1ccccc1OCC 34a_200011470546_100000210202 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.41 C#Cc1ccccc1OCC 7a_200011470546_100000210202 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.41 C=C=Cc1cccnc1CC 271570a_100015277604_100009877225 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.41 C=C=Cc1nccnc1CC 271570a_100015277604_100011995844 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.41 C=C=Cc1nccnc1CN 271570a_100015277604_100000729963 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.41 C=C=Cc1nccnc1CO 271570a_100015277604_100000057004 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.41 C=C=Cc1nccnc1NC 271570a_100015277604_100011529439 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.41 C=C=Cc1nccnc1OC 271570a_100015277604_100000749998 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.41 C=Cc1cccnc1OCC 271570a_100011290941_100011465154 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.41 C=Cc1ncccc1OCC 271570a_100011290941_100011597540 [0,0,0,0,0,0|1,0,2]=3 11 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [0,0,0,0,0,0|0,0,2]=2 12 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.41 CC=Cc1cccnc1CN 271570a_100016259895_100020591323 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.41 CC=Cc1cccnc1CO 271570a_100016259895_100011996772 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.41 CC=Cc1cncnc1CC 271570a_100016259895_100009816992 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.41 CC=Cc1ncccc1CN 271570a_100016259895_100015189234 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.41 CC=Cc1ncccc1CO 271570a_100016259895_100000748726 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.41 CC=Cc1nccnc1C#N 271570a_100016259895_100000040484 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.41 CC=Cc1nccnc1CC 271570a_100016259895_100011995844 [0,0,0,0,0,0|1,0,1]=2 26 B11R1.41 CC=Cc1nccnc1CN 271570a_100016259895_100000729963 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.41 CC=Cc1nccnc1CO 271570a_100016259895_100000057004 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.41 CC=Cc1nccnc1NC 271570a_100016259895_100011529439 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.41 CC=Cc1nccnc1NN 271570a_100016259895_100000755098 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.41 CC=Cc1ncncc1CC 271570a_100016259895_200000100055 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.41 CCCc1ncncc1NC 27a_100102657272_100009816987 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.41 CCCc1ncncc1SC 62a_100009816987_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.41 CCCc1ncncc1SC 62a_200000210301_100009816987 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.41 CCCc1ncncc1S[13CH3] 62a_100009816987_200025704644 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.41 CCCc1ncncc1S[13CH3] 62a_200025704644_100009816987 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.41 CCNc1ccccc1CO 34a_100000212039_100000210202 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.41 CCNc1ccccc1SC 34a_100000211160_100000210202 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.41 CCNc1ccccc1SC 62a_114873767003_200000210301 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.41 CCNc1ccccc1SC 62a_200000210301_114873767003 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.41 CCNc1ccccc1S[13CH3] 62a_114873767003_200025704644 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.41 CCNc1ccccc1S[13CH3] 62a_200025704644_114873767003 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.41 CCNc1cncnc1CC 27a_100015525214_100009816992 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.41 CCNc1ncccc1C#N 27a_100015525214_100000211984 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.41 CCNc1nccnc1C#N 27a_100015525214_100000040484 [0,0,0,0,0,0|2,0,1]=3 64 B11R1.41 CCNc1nccnc1CC 27a_100015525214_100011995844 [0,0,0,0,0,0|1,0,0]=1 65 B11R1.41 CCNc1nccnc1OC 27a_100015525214_100009858322 [0,0,0,0,0,0|2,0,0]=2 66 B11R1.41 CCNc1ncncc1CC 27a_100015525214_200000100055 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.41 CCNc1ncncc1OC 27a_100015525214_100012001275 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.41 CCOc1ccccc1C#N 34a_100000211048_100000210202 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.41 CCOc1ccccc1C#N 7a_100000211048_100000210202 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [0,0,0,0,0,0|2,0,0]=2 71 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [0,0,0,0,0,0|2,0,0]=2 72 B11R1.41 CCOc1ccccc1CN 34a_100000185550_100000210202 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.41 CCOc1cccnc1C#N 34a_100000722750_100000210202 [0,0,0,0,0,0|2,0,1]=3 88 B11R1.41 CCOc1cccnc1C#N 7a_100000722750_100000210202 [0,0,0,0,0,0|2,0,1]=3 89 B11R1.41 CCOc1cccnc1CBr 34a_200020655725_100000210202 [0,0,0,0,0,0|2,0,0]=2 90 B11R1.41 CCOc1cccnc1CBr 7a_200020655725_100000210202 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.41 CCOc1cccnc1CO 34a_100000731849_100000210202 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [0,0,0,0,0,0|2,0,0]=2 93 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [0,0,0,0,0,0|2,0,0]=2 94 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [0,0,0,0,0,0|2,0,0]=2 96 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [0,0,0,0,0,0|2,0,0]=2 97 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [0,0,0,0,0,0|2,0,0]=2 98 B11R1.41 CCOc1cnccc1CO 34a_100000078615_100000210202 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.41 CCOc1cnccc1OC 34a_100000101186_100000210202 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [0,0,0,0,0,0|2,0,0]=2 101 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [0,0,0,0,0,0|2,0,0]=2 102 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [0,0,0,0,0,0|2,0,0]=2 103 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [0,0,0,0,0,0|2,0,0]=2 104 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [0,0,0,0,0,0|2,0,0]=2 105 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [0,0,0,0,0,0|2,0,0]=2 106 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [0,0,0,0,0,0|2,0,0]=2 107 B11R1.41 CCOc1nccnc1NC 27a_100102657272_200010128176 [0,0,0,0,0,0|1,0,0]=1 108 B11R1.41 CCOc1nccnc1SC 62a_200000210301_200010128176 [0,0,0,0,0,0|1,0,0]=1 109 B11R1.41 CCOc1nccnc1SC 62a_200010128176_200000210301 [0,0,0,0,0,0|1,0,0]=1 110 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200010128176_200025704644 [0,0,0,0,0,0|1,0,0]=1 111 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200025704644_200010128176 [0,0,0,0,0,0|1,0,0]=1 112 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [0,0,0,0,0,0|2,1,0]=3 113 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [0,0,0,0,0,0|2,1,0]=3 114 B11R1.41 CCSc1ccccc1CN 62a_100000210202_100000689332 [0,0,0,0,0,0|3,1,0]=4 115 B11R1.41 CCSc1ccccc1CN 62a_100000689332_100000210202 [0,0,0,0,0,0|3,1,0]=4 116 B11R1.41 CCSc1ccccc1CO 62a_100000187465_100000210202 [0,0,0,0,0,0|3,1,0]=4 117 B11R1.41 CCSc1ccccc1CO 62a_100000210202_100000187465 [0,0,0,0,0,0|3,1,0]=4 118 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [0,0,0,0,0,0|3,1,0]=4 119 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [0,0,0,0,0,0|3,1,0]=4 120 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [0,0,0,0,0,0|3,1,0]=4 121 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [0,0,0,0,0,0|3,1,0]=4 122 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [0,0,0,0,0,0|3,1,0]=4 123 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [0,0,0,0,0,0|3,1,0]=4 124 B11R1.41 CCSc1ccccc1SC 62a_100000210202_100011217816 [0,0,0,0,0,0|3,1,0]=4 125 B11R1.41 CCSc1ccccc1SC 62a_100000230856_200000210301 [0,0,0,0,0,0|3,1,0]=4 126 B11R1.41 CCSc1ccccc1SC 62a_100011217816_100000210202 [0,0,0,0,0,0|3,1,0]=4 127 B11R1.41 CCSc1ccccc1SC 62a_200000210301_100000230856 [0,0,0,0,0,0|3,1,0]=4 128 B11R1.41 CCSc1ccccc1S[13CH3] 62a_100000230856_200025704644 [0,0,0,0,0,0|3,1,0]=4 129 B11R1.41 CCSc1ccccc1S[13CH3] 62a_200025704644_100000230856 [0,0,0,0,0,0|3,1,0]=4 130 B11R1.41 CCSc1cccnc1C#N 62a_100000210202_100000685805 [0,0,0,0,0,0|2,1,1]=4 131 B11R1.41 CCSc1cccnc1C=O 62a_100000210202_100011934733 [0,0,0,0,0,0|2,1,1]=4 132 B11R1.41 CCSc1cccnc1C=O 62a_100011934733_100000210202 [0,0,0,0,0,0|2,1,1]=4 133 B11R1.41 CCSc1cccnc1CC 62a_100000210202_100009877225 [0,0,0,0,0,0|1,1,0]=2 134 B11R1.41 CCSc1cccnc1CC 62a_100009877225_100000210202 [0,0,0,0,0,0|1,1,0]=2 135 B11R1.41 CCSc1cccnc1CN 62a_100000210202_100020591323 [0,0,0,0,0,0|2,1,0]=3 136 B11R1.41 CCSc1cccnc1CN 62a_100020591323_100000210202 [0,0,0,0,0,0|2,1,0]=3 137 B11R1.41 CCSc1cccnc1CO 62a_100000210202_100011996772 [0,0,0,0,0,0|2,1,0]=3 138 B11R1.41 CCSc1cccnc1CO 62a_100011996772_100000210202 [0,0,0,0,0,0|2,1,0]=3 139 B11R1.41 CCSc1cccnc1NC 62a_100000210202_100000700899 [0,0,0,0,0,0|2,1,0]=3 140 B11R1.41 CCSc1cccnc1NC 62a_100000700899_100000210202 [0,0,0,0,0,0|2,1,0]=3 141 B11R1.41 CCSc1cccnc1NN 62a_100000210202_100011464834 [0,0,0,0,0,0|3,1,0]=4 142 B11R1.41 CCSc1cccnc1NN 62a_100011464834_100000210202 [0,0,0,0,0,0|3,1,0]=4 143 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [0,0,0,0,0,0|2,1,0]=3 144 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [0,0,0,0,0,0|2,1,0]=3 145 B11R1.41 CCSc1cccnc1SC 62a_100000210202_100011465278 [0,0,0,0,0,0|2,1,0]=3 146 B11R1.41 CCSc1cccnc1SC 62a_100011465278_100000210202 [0,0,0,0,0,0|2,1,0]=3 147 B11R1.41 CCSc1ccncc1CC 62a_100000210202_100025704421 [0,0,0,0,0,0|3,1,0]=4 148 B11R1.41 CCSc1ccncc1CC 62a_100025704421_100000210202 [0,0,0,0,0,0|3,1,0]=4 149 B11R1.41 CCSc1cnccc1CC 62a_100000210202_100009819861 [0,0,0,0,0,0|3,1,0]=4 150 B11R1.41 CCSc1cnccc1CC 62a_100009819861_100000210202 [0,0,0,0,0,0|3,1,0]=4 151 B11R1.41 CCSc1cncnc1CC 62a_100000210202_100009816992 [0,0,0,0,0,0|2,1,0]=3 152 B11R1.41 CCSc1cncnc1CC 62a_100009816992_100000210202 [0,0,0,0,0,0|2,1,0]=3 153 B11R1.41 CCSc1cncnc1NC 62a_100000210202_200012180720 [0,0,0,0,0,0|3,1,0]=4 154 B11R1.41 CCSc1cncnc1NC 62a_200012180720_100000210202 [0,0,0,0,0,0|3,1,0]=4 155 B11R1.41 CCSc1cncnc1OC 62a_100000210202_100000719902 [0,0,0,0,0,0|3,1,0]=4 156 B11R1.41 CCSc1cncnc1OC 62a_100000719902_100000210202 [0,0,0,0,0,0|3,1,0]=4 157 B11R1.41 CCSc1ncccc1C#N 62a_100000210202_100000211984 [0,0,0,0,0,0|2,1,1]=4 158 B11R1.41 CCSc1ncccc1C=O 62a_100000210202_100009816751 [0,0,0,0,0,0|2,1,1]=4 159 B11R1.41 CCSc1ncccc1C=O 62a_100009816751_100000210202 [0,0,0,0,0,0|2,1,1]=4 160 B11R1.41 CCSc1ncccc1CN 62a_100000210202_100015189234 [0,0,0,0,0,0|2,1,0]=3 161 B11R1.41 CCSc1ncccc1CN 62a_100015189234_100000210202 [0,0,0,0,0,0|2,1,0]=3 162 B11R1.41 CCSc1ncccc1CO 62a_100000210202_100000748726 [0,0,0,0,0,0|2,1,0]=3 163 B11R1.41 CCSc1ncccc1CO 62a_100000748726_100000210202 [0,0,0,0,0,0|2,1,0]=3 164 B11R1.41 CCSc1ncccc1NC 62a_100000210202_200011806188 [0,0,0,0,0,0|2,1,0]=3 165 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [0,0,0,0,0,0|2,1,0]=3 166 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [0,0,0,0,0,0|2,1,0]=3 167 B11R1.41 CCSc1nccnc1C#N 62a_100000210202_100000040484 [0,0,0,0,0,0|1,1,1]=3 168 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [0,0,0,0,0,0|1,1,1]=3 169 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [0,0,0,0,0,0|1,1,1]=3 170 B11R1.41 CCSc1nccnc1CC 62a_100000210202_100011995844 [0,0,0,0,0,0|0,1,0]=1 171 B11R1.41 CCSc1nccnc1CC 62a_100011995844_100000210202 [0,0,0,0,0,0|0,1,0]=1 172 B11R1.41 CCSc1nccnc1CN 62a_100000210202_100000729963 [0,0,0,0,0,0|1,1,0]=2 173 B11R1.41 CCSc1nccnc1CN 62a_100000729963_100000210202 [0,0,0,0,0,0|1,1,0]=2 174 B11R1.41 CCSc1nccnc1CO 62a_100000057004_100000210202 [0,0,0,0,0,0|1,1,0]=2 175 B11R1.41 CCSc1nccnc1CO 62a_100000210202_100000057004 [0,0,0,0,0,0|1,1,0]=2 176 B11R1.41 CCSc1nccnc1NC 62a_100000210202_100011529439 [0,0,0,0,0,0|1,1,0]=2 177 B11R1.41 CCSc1nccnc1NN 62a_100000210202_100000755098 [0,0,0,0,0,0|2,1,0]=3 178 B11R1.41 CCSc1nccnc1OC 62a_100000210202_100000749998 [0,0,0,0,0,0|1,1,0]=2 179 B11R1.41 CCSc1nccnc1OC 62a_100009858322_100000210202 [0,0,0,0,0,0|1,1,0]=2 180 B11R1.41 CCSc1ncncc1CC 62a_100000210202_200000100055 [0,0,0,0,0,0|2,1,0]=3 181 B11R1.41 CCSc1ncncc1CC 62a_200000100055_100000210202 [0,0,0,0,0,0|2,1,0]=3 182 B11R1.41 CCSc1ncncc1OC 62a_100000210202_100012001275 [0,0,0,0,0,0|3,1,0]=4 183 B11R1.41 CCSc1ncncc1OC 62a_100012001275_100000210202 [0,0,0,0,0,0|3,1,0]=4 184 B11R1.41 CCc1ccccc1CNC 207a_100102657272_100011219594 [0,0,0,0,0,0|4,0,0]=4 185 B11R1.41 CCc1ccccc1CNC 270004a_106832991635_100011219594 [0,0,0,0,0,0|4,0,0]=4 186 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [0,0,0,0,0,0|4,0,0]=4 187 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [0,0,0,0,0,0|4,0,0]=4 188 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [0,0,0,0,0,0|4,0,0]=4 189 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [0,0,0,0,0,0|4,0,0]=4 190 B11R1.41 CCc1ccccc1NCF 34a_100000212081_100015361967 [0,0,0,0,0,0|4,0,0]=4 191 B11R1.41 CCc1ccccc1NCF 7a_100000212081_100015361967 [0,0,0,0,0,0|4,0,0]=4 192 B11R1.41 CCc1ccccc1OCF 34a_100000210936_100015361967 [0,0,0,0,0,0|3,0,0]=3 193 B11R1.41 CCc1ccccc1OCF 7a_100000210936_100015361967 [0,0,0,0,0,0|3,0,0]=3 194 B11R1.41 CCc1ccccc1SCF 62a_100011215823_100015361967 [0,0,0,0,0,0|3,1,0]=4 195 B11R1.41 CCc1ccccc1SCF 62a_100015361967_100011215823 [0,0,0,0,0,0|3,1,0]=4 196 B11R1.41 CCc1cncnc1SCF 62a_100015361967_200000100055 [0,0,0,0,0,0|3,1,0]=4 197 B11R1.41 CCc1cncnc1SCF 62a_200000100055_100015361967 [0,0,0,0,0,0|3,1,0]=4 198 B11R1.41 CCc1ncccc1SCF 62a_100009877225_100015361967 [0,0,0,0,0,0|2,1,0]=3 199 B11R1.41 CCc1ncccc1SCF 62a_100015361967_100009877225 [0,0,0,0,0,0|2,1,0]=3 200 B11R1.41 CCc1nccnc1SCF 62a_100011995844_100015361967 [0,0,0,0,0,0|1,1,0]=2 201 B11R1.41 CCc1nccnc1SCF 62a_100015361967_100011995844 [0,0,0,0,0,0|1,1,0]=2 202 B11R1.41 CCc1ncncc1SCF 62a_100009816992_100015361967 [0,0,0,0,0,0|3,1,0]=4 203 B11R1.41 CCc1ncncc1SCF 62a_100015361967_100009816992 [0,0,0,0,0,0|3,1,0]=4 204 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [0,0,0,0,0,0|4,0,0]=4 205 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [0,0,0,0,0,0|4,0,0]=4 206 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [0,0,0,0,0,0|4,0,0]=4 207 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [0,0,0,0,0,0|4,0,0]=4 208 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [0,0,0,0,0,0|4,0,0]=4 209 B11R1.41 CNCc1cccnc1SC 62a_103496529121_200000210301 [0,0,0,0,0,0|4,0,0]=4 210 B11R1.41 CNCc1cccnc1SC 62a_200000210301_103496529121 [0,0,0,0,0,0|4,0,0]=4 211 B11R1.41 CNCc1cccnc1S[13CH3] 62a_103496529121_200025704644 [0,0,0,0,0,0|4,0,0]=4 212 B11R1.41 CNCc1cccnc1S[13CH3] 62a_200025704644_103496529121 [0,0,0,0,0,0|4,0,0]=4 213 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [0,0,0,0,0,0|4,0,0]=4 214 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [0,0,0,0,0,0|4,0,0]=4 215 B11R1.41 CNc1ccccc1OCF 34a_100000033821_100015361967 [0,0,0,0,0,0|4,0,0]=4 216 B11R1.41 CNc1cccnc1SCF 62a_100015361967_200011806188 [0,0,0,0,0,0|3,1,0]=4 217 B11R1.41 CNc1ncccc1SCF 62a_100000700899_100015361967 [0,0,0,0,0,0|3,1,0]=4 218 B11R1.41 CNc1ncccc1SCF 62a_100015361967_100000700899 [0,0,0,0,0,0|3,1,0]=4 219 B11R1.41 CNc1nccnc1SCF 62a_100015361967_100011529439 [0,0,0,0,0,0|2,1,0]=3 220 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [0,0,0,0,0,0|4,0,0]=4 221 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [0,0,0,0,0,0|4,0,0]=4 222 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [0,0,0,0,0,0|4,0,0]=4 223 B11R1.41 COc1ccccc1OCF 34a_100000210385_100015361967 [0,0,0,0,0,0|4,0,0]=4 224 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [0,0,0,0,0,0|4,0,0]=4 225 B11R1.41 COc1cccnc1OCF 34a_100025773188_100015361967 [0,0,0,0,0,0|3,0,0]=3 226 B11R1.41 COc1cccnc1SCF 62a_100000767102_100015361967 [0,0,0,0,0,0|3,1,0]=4 227 B11R1.41 COc1cccnc1SCF 62a_100015361967_100000690851 [0,0,0,0,0,0|3,1,0]=4 228 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [0,0,0,0,0,0|4,0,0]=4 229 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [0,0,0,0,0,0|4,0,0]=4 230 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [0,0,0,0,0,0|4,0,0]=4 231 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [0,0,0,0,0,0|4,0,0]=4 232 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [0,0,0,0,0,0|4,0,0]=4 233 B11R1.41 COc1ncccc1OCF 34a_100000698397_100015361967 [0,0,0,0,0,0|3,0,0]=3 234 B11R1.41 COc1ncccc1OCF 7a_100000698397_100015361967 [0,0,0,0,0,0|3,0,0]=3 235 B11R1.41 COc1ncccc1SCF 62a_100000047025_100015361967 [0,0,0,0,0,0|3,1,0]=4 236 B11R1.41 COc1ncccc1SCF 62a_100015361967_100000047025 [0,0,0,0,0,0|3,1,0]=4 237 B11R1.41 COc1nccnc1SCF 62a_100009858322_100015361967 [0,0,0,0,0,0|2,1,0]=3 238 B11R1.41 COc1nccnc1SCF 62a_100015361967_100000749998 [0,0,0,0,0,0|2,1,0]=3 239 B11R1.41 CSc1ccccc1OCF 34a_100011216402_100015361967 [0,0,0,0,0,0|4,0,0]=4 240 B11R1.41 CSc1ncccc1SCF 62a_100011465278_100015361967 [0,0,0,0,0,0|3,1,0]=4 241 B11R1.41 CSc1ncccc1SCF 62a_100015361967_100011465278 [0,0,0,0,0,0|3,1,0]=4 242 B11R1.41 FCOc1cccnc1CBr 34a_200020655725_100015361967 [0,0,0,0,0,0|3,0,0]=3 243 B11R1.41 FCOc1cccnc1CBr 7a_200020655725_100015361967 [0,0,0,0,0,0|3,0,0]=3 244 B11R1.41 N#Cc1ncccc1OCF 34a_100000722750_100015361967 [0,0,0,0,0,0|3,0,1]=4 245 B11R1.41 N#Cc1ncccc1OCF 7a_100000722750_100015361967 [0,0,0,0,0,0|3,0,1]=4 246 B11R1.41 N#Cc1nccnc1SCF 62a_100015361967_100000040484 [0,0,0,0,0,0|2,1,1]=4 247 B11R1.41 NCc1ccccc1OCF 34a_100000185550_100015361967 [0,0,0,0,0,0|4,0,0]=4 248 B11R1.41 NCc1cccnc1SCF 62a_100015189234_100015361967 [0,0,0,0,0,0|3,1,0]=4 249 B11R1.41 NCc1cccnc1SCF 62a_100015361967_100015189234 [0,0,0,0,0,0|3,1,0]=4 250 B11R1.41 NCc1ncccc1SCF 62a_100015361967_100020591323 [0,0,0,0,0,0|3,1,0]=4 251 B11R1.41 NCc1ncccc1SCF 62a_100020591323_100015361967 [0,0,0,0,0,0|3,1,0]=4 252 B11R1.41 NCc1nccnc1SCF 62a_100000729963_100015361967 [0,0,0,0,0,0|2,1,0]=3 253 B11R1.41 NCc1nccnc1SCF 62a_100015361967_100000729963 [0,0,0,0,0,0|2,1,0]=3 254 B11R1.41 NNc1nccnc1SCF 62a_100015361967_100000755098 [0,0,0,0,0,0|3,1,0]=4 255 B11R1.41 O=Cc1nccnc1SCF 62a_100000051000_100015361967 [0,0,0,0,0,0|2,1,1]=4 256 B11R1.41 O=Cc1nccnc1SCF 62a_100015361967_100000051000 [0,0,0,0,0,0|2,1,1]=4 257 B11R1.41 OCc1ccccc1OCF 34a_100011216872_100015361967 [0,0,0,0,0,0|4,0,0]=4 258 B11R1.41 OCc1cccnc1SCF 62a_100000748726_100015361967 [0,0,0,0,0,0|3,1,0]=4 259 B11R1.41 OCc1cccnc1SCF 62a_100015361967_100000748726 [0,0,0,0,0,0|3,1,0]=4 260 B11R1.41 OCc1ncccc1OCF 34a_100000731849_100015361967 [0,0,0,0,0,0|3,0,0]=3 261 B11R1.41 OCc1ncccc1SCF 62a_100011996772_100015361967 [0,0,0,0,0,0|3,1,0]=4 262 B11R1.41 OCc1ncccc1SCF 62a_100015361967_100011996772 [0,0,0,0,0,0|3,1,0]=4 263 B11R1.41 OCc1nccnc1SCF 62a_100000057004_100015361967 [0,0,0,0,0,0|2,1,0]=3 264 B11R1.41 OCc1nccnc1SCF 62a_100015361967_100000057004 [0,0,0,0,0,0|2,1,0]=3 265 B10R1.4 C=C=Cc1nccnc1C 271570a_100015277604_100011999405 [1,0,0,0,0,0|1,0,2]=4 266 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,0,0,0,0,0|2,0,1]=4 267 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,0,0,0,0,0|2,0,1]=4 268 B10R1.4 CC=Cc1nccnc1C 271570a_100016259895_100011999405 [1,0,0,0,0,0|1,0,1]=3 269 B10R1.4 CC=Cc1nccnc1F 271570a_100016259895_200010125657 [1,0,0,0,0,0|2,0,1]=4 270 B10R1.4 CC=Cc1nccnc1N 271570a_100016259895_100000747729 [1,0,0,0,0,0|2,0,1]=4 271 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.4 CCNc1ncccc1Br 27a_100015525214_100000696092 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.4 CCNc1nccnc1C 27a_100015525214_100011999405 [1,0,0,0,0,0|1,0,0]=2 274 B10R1.4 CCNc1nccnc1F 27a_100015525214_200010125657 [1,0,0,0,0,0|2,0,0]=3 275 B10R1.4 CCNc1ncncc1C 27a_100015525214_100011998708 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.4 CCNc1nnccc1C 27a_100015525214_100000089043 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [1,0,0,0,0,0|2,0,0]=3 280 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [1,0,0,0,0,0|2,0,0]=3 291 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [1,0,0,0,0,0|2,0,0]=3 292 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [1,0,0,0,0,0|1,0,0]=2 293 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [1,0,0,0,0,0|1,0,0]=2 294 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [1,0,0,0,0,0|2,0,0]=3 297 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [1,0,0,0,0,0|2,0,0]=3 298 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [1,0,0,0,0,0|2,0,0]=3 299 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [1,0,0,0,0,0|2,0,0]=3 300 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [1,0,0,0,0,0|2,0,0]=3 303 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [1,0,0,0,0,0|3,0,0]=4 305 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.4 CCOc1cncnc1N 7a_100000112926_100000210202 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [1,0,0,0,0,0|2,0,0]=3 312 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [1,0,0,0,0,0|2,0,0]=3 313 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [1,0,0,0,0,0|0,0,0]=1 314 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [1,0,0,0,0,0|1,0,0]=2 315 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,0,0,0,0,0|2,1,0]=4 316 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,0,0,0,0,0|2,1,0]=4 317 B10R1.4 CCSc1cccnc1Br 62a_100000210202_100010202626 [1,0,0,0,0,0|2,1,0]=4 318 B10R1.4 CCSc1cccnc1Br 62a_100010202626_100000210202 [1,0,0,0,0,0|2,1,0]=4 319 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,0,0,0,0,0|1,1,0]=3 320 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,0,0,0,0,0|1,1,0]=3 321 B10R1.4 CCSc1cccnc1Cl 62a_100000036424_100000210202 [1,0,0,0,0,0|2,1,0]=4 322 B10R1.4 CCSc1cccnc1Cl 62a_100000210202_100000036424 [1,0,0,0,0,0|2,1,0]=4 323 B10R1.4 CCSc1cccnc1F 62a_100000210202_100009816115 [1,0,0,0,0,0|2,1,0]=4 324 B10R1.4 CCSc1cccnc1F 62a_100009816115_100000210202 [1,0,0,0,0,0|2,1,0]=4 325 B10R1.4 CCSc1cccnc1N 62a_100000045569_100000210202 [1,0,0,0,0,0|2,1,0]=4 326 B10R1.4 CCSc1cccnc1N 62a_100000210202_100000045569 [1,0,0,0,0,0|2,1,0]=4 327 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [1,0,0,0,0,0|2,1,0]=4 328 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [1,0,0,0,0,0|2,1,0]=4 329 B10R1.4 CCSc1cncnc1C 62a_100000210202_100009819671 [1,0,0,0,0,0|2,1,0]=4 330 B10R1.4 CCSc1cncnc1C 62a_100009819671_100000210202 [1,0,0,0,0,0|2,1,0]=4 331 B10R1.4 CCSc1ncc[nH]c1=O 62a_100000210202_100000763361 [1,0,0,0,0,0|1,1,1]=4 332 B10R1.4 CCSc1ncccc1Br 62a_100000210202_100000696092 [1,0,0,0,0,0|2,1,0]=4 333 B10R1.4 CCSc1ncccc1Br 62a_100000696092_100000210202 [1,0,0,0,0,0|2,1,0]=4 334 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,0,0,0,0,0|1,1,0]=3 335 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,0,0,0,0,0|1,1,0]=3 336 B10R1.4 CCSc1ncccc1Cl 62a_100000210202_100011356963 [1,0,0,0,0,0|2,1,0]=4 337 B10R1.4 CCSc1ncccc1Cl 62a_100011356963_100000210202 [1,0,0,0,0,0|2,1,0]=4 338 B10R1.4 CCSc1ncccc1F 62a_100000210202_100000685392 [1,0,0,0,0,0|2,1,0]=4 339 B10R1.4 CCSc1ncccc1F 62a_100000685392_100000210202 [1,0,0,0,0,0|2,1,0]=4 340 B10R1.4 CCSc1ncccc1N 62a_100000210202_100000688686 [1,0,0,0,0,0|2,1,0]=4 341 B10R1.4 CCSc1ncccc1N 62a_100000688686_100000210202 [1,0,0,0,0,0|2,1,0]=4 342 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [1,0,0,0,0,0|2,1,0]=4 343 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [1,0,0,0,0,0|2,1,0]=4 344 B10R1.4 CCSc1nccnc1C 62a_100000210202_100011999405 [1,0,0,0,0,0|0,1,0]=2 345 B10R1.4 CCSc1nccnc1C 62a_100011999405_100000210202 [1,0,0,0,0,0|0,1,0]=2 346 B10R1.4 CCSc1nccnc1Cl 62a_100000210202_100010886584 [1,0,0,0,0,0|1,1,0]=3 347 B10R1.4 CCSc1nccnc1Cl 62a_100010886584_100000210202 [1,0,0,0,0,0|1,1,0]=3 348 B10R1.4 CCSc1nccnc1F 62a_100000210202_200010125657 [1,0,0,0,0,0|1,1,0]=3 349 B10R1.4 CCSc1nccnc1F 62a_200010125657_100000210202 [1,0,0,0,0,0|1,1,0]=3 350 B10R1.4 CCSc1nccnc1N 62a_100000210202_100000747729 [1,0,0,0,0,0|1,1,0]=3 351 B10R1.4 CCSc1nccnc1N 62a_100000747729_100000210202 [1,0,0,0,0,0|1,1,0]=3 352 B10R1.4 CCSc1ncncc1C 62a_100000210202_100011998708 [1,0,0,0,0,0|2,1,0]=4 353 B10R1.4 CCSc1ncncc1C 62a_100011998708_100000210202 [1,0,0,0,0,0|2,1,0]=4 354 B10R1.4 CCSc1nnccc1C 62a_100000210202_100000089043 [1,0,0,0,0,0|2,1,0]=4 355 B10R1.4 CNCc1cccnc1C 207a_100102657272_100000751968 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.4 CNCc1cccnc1C 2230a_106832991635_100000732876 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.4 CNCc1cccnc1C 270004a_106832991635_100000751968 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.4 CNCc1cccnc1C 34a_100102657272_100000732876 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.4 CNCc1cccnc1C 7a_106832991635_100000732876 [1,0,0,0,0,0|3,0,0]=4 360 B10R1.4 CNCc1ncccc1C 207a_100102657272_100000698913 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.4 CNCc1ncccc1C 2230a_106832991635_100000696600 [1,0,0,0,0,0|3,0,0]=4 362 B10R1.4 CNCc1ncccc1C 270004a_106832991635_100000698913 [1,0,0,0,0,0|3,0,0]=4 363 B10R1.4 CNCc1ncccc1C 34a_100011223789_200000210301 [1,0,0,0,0,0|3,0,0]=4 364 B10R1.4 CNCc1ncccc1C 34a_100102657272_100000696600 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.4 CNCc1ncccc1C 7a_106832991635_100000696600 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [1,0,0,0,0,0|2,0,0]=3 367 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [1,0,0,0,0,0|2,0,0]=3 368 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [1,0,0,0,0,0|2,0,0]=3 369 B10R1.4 CNCc1nccnc1Cl 2230a_100000729963_200000210301 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [1,0,0,0,0,0|3,0,0]=4 371 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [1,0,0,0,0,0|3,0,0]=4 372 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [1,0,0,0,0,0|3,0,0]=4 373 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [1,0,0,0,0,0|3,0,0]=4 374 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [1,0,0,0,0,0|3,0,0]=4 375 B10R1.4 COCc1nccnc1Cl 34a_100000057004_200000210301 [1,0,0,0,0,0|3,0,0]=4 376 B10R1.4 CSCc1cccnc1C 62a_100000732876_200000210301 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.4 CSCc1cccnc1C 62a_200000210301_100000732876 [1,0,0,0,0,0|3,0,0]=4 378 B10R1.4 CSCc1ncccc1C 62a_100000696600_200000210301 [1,0,0,0,0,0|3,0,0]=4 379 B10R1.4 CSCc1ncccc1C 62a_200000210301_100000696600 [1,0,0,0,0,0|3,0,0]=4 380 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [1,0,0,0,0,0|3,0,0]=4 381 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [1,0,0,0,0,0|3,0,0]=4 382 B10R1.4 Cc1cccnc1CN[13CH3] 34a_100011223789_200025704644 [1,0,0,0,0,0|3,0,0]=4 383 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.4 Cc1cccnc1CS[13CH3] 62a_100000696600_200025704644 [1,0,0,0,0,0|3,0,0]=4 385 B10R1.4 Cc1cccnc1CS[13CH3] 62a_200025704644_100000696600 [1,0,0,0,0,0|3,0,0]=4 386 B10R1.4 Cc1cccnc1SCF 62a_100000751373_100015361967 [1,0,0,0,0,0|2,1,0]=4 387 B10R1.4 Cc1cccnc1SCF 62a_100015361967_100000751373 [1,0,0,0,0,0|2,1,0]=4 388 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [1,0,0,0,0,0|3,0,0]=4 389 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [1,0,0,0,0,0|3,0,0]=4 390 B10R1.4 Cc1ncccc1CS[13CH3] 62a_100000732876_200025704644 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.4 Cc1ncccc1CS[13CH3] 62a_200025704644_100000732876 [1,0,0,0,0,0|3,0,0]=4 392 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [1,0,0,0,0,0|2,0,0]=3 393 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [1,0,0,0,0,0|2,0,0]=3 394 B10R1.4 Cc1ncccc1SCF 62a_100000751574_100015361967 [1,0,0,0,0,0|2,1,0]=4 395 B10R1.4 Cc1ncccc1SCF 62a_100015361967_100000751574 [1,0,0,0,0,0|2,1,0]=4 396 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [1,0,0,0,0,0|2,0,0]=3 397 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [1,0,0,0,0,0|2,0,0]=3 398 B10R1.4 Cc1nccnc1OCF 34a_100000766352_100015361967 [1,0,0,0,0,0|1,0,0]=2 399 B10R1.4 Cc1nccnc1SCF 62a_100011999405_100015361967 [1,0,0,0,0,0|1,1,0]=3 400 B10R1.4 Cc1nccnc1SCF 62a_100015361967_100011999405 [1,0,0,0,0,0|1,1,0]=3 401 B10R1.4 FCOc1cccnc1Br 34a_100000744436_100015361967 [1,0,0,0,0,0|3,0,0]=4 402 B10R1.4 FCOc1cccnc1Br 7a_100000744436_100015361967 [1,0,0,0,0,0|3,0,0]=4 403 B10R1.4 FCOc1cccnc1Cl 34a_100000757616_100015361967 [1,0,0,0,0,0|3,0,0]=4 404 B10R1.4 FCOc1cccnc1Cl 7a_100000757616_100015361967 [1,0,0,0,0,0|3,0,0]=4 405 B10R1.4 FCOc1cccnc1F 34a_100000061740_100015361967 [1,0,0,0,0,0|3,0,0]=4 406 B10R1.4 FCOc1cccnc1F 7a_100000061740_100015361967 [1,0,0,0,0,0|3,0,0]=4 407 B10R1.4 FCOc1cccnc1I 34a_100000034122_100015361967 [1,0,0,0,0,0|3,0,0]=4 408 B10R1.4 FCOc1cccnc1I 7a_100000034122_100015361967 [1,0,0,0,0,0|3,0,0]=4 409 B10R1.4 FCOc1ncccc1Cl 34a_100011290957_100015361967 [1,0,0,0,0,0|3,0,0]=4 410 B10R1.4 FCOc1ncccc1F 34a_100011219419_100015361967 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.4 FCSc1nccnc1Cl 62a_100010886584_100015361967 [1,0,0,0,0,0|2,1,0]=4 412 B10R1.4 FCSc1nccnc1Cl 62a_100015361967_100010886584 [1,0,0,0,0,0|2,1,0]=4 413 B10R1.4 FCSc1nccnc1F 62a_100015361967_200010125657 [1,0,0,0,0,0|2,1,0]=4 414 B10R1.4 FCSc1nccnc1F 62a_200010125657_100015361967 [1,0,0,0,0,0|2,1,0]=4 415 B10R1.4 Nc1cccnc1OCF 34a_100000746358_100015361967 [1,0,0,0,0,0|3,0,0]=4 416 B10R1.4 Nc1ncccc1OCF 34a_100000211975_100015361967 [1,0,0,0,0,0|3,0,0]=4 417 B10R1.4 Nc1ncccc1OCF 7a_100000211975_100015361967 [1,0,0,0,0,0|3,0,0]=4 418 B10R1.4 Nc1nccnc1SCF 62a_100000747729_100015361967 [1,0,0,0,0,0|2,1,0]=4 419 B10R1.4 Nc1nccnc1SCF 62a_100015361967_100000747729 [1,0,0,0,0,0|2,1,0]=4 420 B10R1.4 [13CH3]NCc1nccnc1Cl 2230a_100000729963_200025704644 [1,0,0,0,0,0|3,0,0]=4 421 B10R1.4 [13CH3]OCc1nccnc1Cl 34a_100000057004_200025704644 [1,0,0,0,0,0|3,0,0]=4 422 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [1,0,0,0,0,0|1,0,2]=4 423 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [1,0,0,0,0,0|1,0,2]=4 424 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [1,0,0,0,0,0|1,0,2]=4 425 B10R1.20 C=Cc1nccnc1CC 271570a_100011290941_100011995844 [1,0,0,0,0,0|0,0,2]=3 426 B10R1.20 C=Cc1nccnc1CN 271570a_100011290941_100000729963 [1,0,0,0,0,0|1,0,2]=4 427 B10R1.20 C=Cc1nccnc1CO 271570a_100011290941_100000057004 [1,0,0,0,0,0|1,0,2]=4 428 B10R1.20 C=Cc1nccnc1NC 271570a_100011290941_100011529439 [1,0,0,0,0,0|1,0,2]=4 429 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [1,0,0,0,0,0|0,0,2]=3 430 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [1,0,0,0,0,0|3,0,0]=4 431 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [1,0,0,0,0,0|3,0,0]=4 432 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [1,0,0,0,0,0|3,0,0]=4 433 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [1,0,0,0,0,0|3,0,0]=4 434 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [1,0,0,0,0,0|3,0,0]=4 435 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [1,0,0,0,0,0|3,0,0]=4 436 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [1,0,0,0,0,0|2,0,0]=3 437 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [1,0,0,0,0,0|2,0,0]=3 438 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [1,0,0,0,0,0|2,0,0]=3 439 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [1,0,0,0,0,0|2,0,0]=3 440 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [1,0,0,0,0,0|2,1,0]=4 441 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [1,0,0,0,0,0|2,1,0]=4 442 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [1,0,0,0,0,0|2,1,0]=4 443 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [1,0,0,0,0,0|2,1,0]=4 444 B10R1.20 CCc1cncnc1NC 27a_100102657272_200000100055 [1,0,0,0,0,0|3,0,0]=4 445 B10R1.20 CCc1cncnc1SC 62a_200000100055_200000210301 [1,0,0,0,0,0|2,1,0]=4 446 B10R1.20 CCc1cncnc1SC 62a_200000210301_200000100055 [1,0,0,0,0,0|2,1,0]=4 447 B10R1.20 CCc1cncnc1S[13CH3] 62a_200000100055_200025704644 [1,0,0,0,0,0|2,1,0]=4 448 B10R1.20 CCc1cncnc1S[13CH3] 62a_200025704644_200000100055 [1,0,0,0,0,0|2,1,0]=4 449 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [1,0,0,0,0,0|1,1,0]=3 450 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [1,0,0,0,0,0|1,1,0]=3 451 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [1,0,0,0,0,0|1,1,0]=3 452 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [1,0,0,0,0,0|1,1,0]=3 453 B10R1.20 CCc1nccnc1NC 27a_100102657272_100011995844 [1,0,0,0,0,0|1,0,0]=2 454 B10R1.20 CCc1nccnc1SC 62a_100011995844_200000210301 [1,0,0,0,0,0|0,1,0]=2 455 B10R1.20 CCc1nccnc1SC 62a_200000210301_100011995844 [1,0,0,0,0,0|0,1,0]=2 456 B10R1.20 CCc1nccnc1S[13CH3] 62a_100011995844_200025704644 [1,0,0,0,0,0|0,1,0]=2 457 B10R1.20 CCc1nccnc1S[13CH3] 62a_200025704644_100011995844 [1,0,0,0,0,0|0,1,0]=2 458 B10R1.20 CCc1ncncc1NC 27a_100102657272_100009816992 [1,0,0,0,0,0|3,0,0]=4 459 B10R1.20 CCc1ncncc1SC 62a_100009816992_200000210301 [1,0,0,0,0,0|2,1,0]=4 460 B10R1.20 CCc1ncncc1SC 62a_200000210301_100009816992 [1,0,0,0,0,0|2,1,0]=4 461 B10R1.20 CCc1ncncc1S[13CH3] 62a_100009816992_200025704644 [1,0,0,0,0,0|2,1,0]=4 462 B10R1.20 CCc1ncncc1S[13CH3] 62a_200025704644_100009816992 [1,0,0,0,0,0|2,1,0]=4 463 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [1,0,0,0,0,0|3,0,0]=4 464 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [1,0,0,0,0,0|3,0,0]=4 465 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [1,0,0,0,0,0|3,0,0]=4 466 B10R1.20 CNc1cccnc1SC 62a_200000210301_200011806188 [1,0,0,0,0,0|2,1,0]=4 467 B10R1.20 CNc1cccnc1S[13CH3] 62a_200025704644_200011806188 [1,0,0,0,0,0|2,1,0]=4 468 B10R1.20 CNc1ncccc1SC 62a_100000700899_200000210301 [1,0,0,0,0,0|2,1,0]=4 469 B10R1.20 CNc1ncccc1SC 62a_200000210301_100000700899 [1,0,0,0,0,0|2,1,0]=4 470 B10R1.20 CNc1ncccc1S[13CH3] 62a_100000700899_200025704644 [1,0,0,0,0,0|2,1,0]=4 471 B10R1.20 CNc1ncccc1S[13CH3] 62a_200025704644_100000700899 [1,0,0,0,0,0|2,1,0]=4 472 B10R1.20 CNc1nccnc1C#N 27a_100102657272_100000040484 [1,0,0,0,0,0|2,0,1]=4 473 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [1,0,0,0,0,0|1,0,0]=2 474 B10R1.20 CNc1nccnc1SC 62a_200000210301_100011529439 [1,0,0,0,0,0|1,1,0]=3 475 B10R1.20 CNc1nccnc1S[13CH3] 62a_200025704644_100011529439 [1,0,0,0,0,0|1,1,0]=3 476 B10R1.20 CNc1ncncc1OC 27a_100102657272_100012001275 [1,0,0,0,0,0|3,0,0]=4 477 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [1,0,0,0,0,0|3,0,0]=4 478 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [1,0,0,0,0,0|3,0,0]=4 479 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [1,0,0,0,0,0|3,0,0]=4 480 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [1,0,0,0,0,0|3,0,0]=4 481 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [1,0,0,0,0,0|3,0,0]=4 482 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [1,0,0,0,0,0|3,0,0]=4 483 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [1,0,0,0,0,0|3,0,0]=4 484 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [1,0,0,0,0,0|3,0,0]=4 485 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [1,0,0,0,0,0|3,0,0]=4 486 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [1,0,0,0,0,0|3,0,0]=4 487 B10R1.20 COc1cccnc1C#N 34a_100000722750_200000210301 [1,0,0,0,0,0|2,0,1]=4 488 B10R1.20 COc1cccnc1C#N 7a_100000722750_200000210301 [1,0,0,0,0,0|2,0,1]=4 489 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [1,0,0,0,0,0|2,0,0]=3 490 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [1,0,0,0,0,0|2,0,0]=3 491 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [1,0,0,0,0,0|2,0,0]=3 492 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [1,0,0,0,0,0|2,0,0]=3 493 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [1,0,0,0,0,0|2,0,0]=3 494 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [1,0,0,0,0,0|2,0,0]=3 495 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [1,0,0,0,0,0|2,0,0]=3 496 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [1,0,0,0,0,0|2,0,0]=3 497 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [1,0,0,0,0,0|2,0,0]=3 498 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [1,0,0,0,0,0|2,0,0]=3 499 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [1,0,0,0,0,0|2,0,0]=3 500 B10R1.20 COc1cncnc1SC 62a_100012001275_200000210301 [1,0,0,0,0,0|3,0,0]=4 501 B10R1.20 COc1cncnc1SC 62a_200000210301_100012001275 [1,0,0,0,0,0|3,0,0]=4 502 B10R1.20 COc1cncnc1S[13CH3] 62a_100012001275_200025704644 [1,0,0,0,0,0|3,0,0]=4 503 B10R1.20 COc1cncnc1S[13CH3] 62a_200025704644_100012001275 [1,0,0,0,0,0|3,0,0]=4 504 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [1,0,0,0,0,0|2,0,0]=3 505 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [1,0,0,0,0,0|2,0,0]=3 506 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [1,0,0,0,0,0|2,0,0]=3 507 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [1,0,0,0,0,0|2,0,0]=3 508 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [1,0,0,0,0,0|2,0,0]=3 509 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [1,0,0,0,0,0|2,0,0]=3 510 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [1,0,0,0,0,0|1,0,0]=2 511 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [1,0,0,0,0,0|1,0,0]=2 512 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [1,0,0,0,0,0|1,0,0]=2 513 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [1,0,0,0,0,0|1,0,0]=2 514 B10R1.20 COc1ncncc1SC 62a_100000719902_200000210301 [1,0,0,0,0,0|3,0,0]=4 515 B10R1.20 COc1ncncc1SC 62a_200000210301_100000719902 [1,0,0,0,0,0|3,0,0]=4 516 B10R1.20 COc1ncncc1S[13CH3] 62a_100000719902_200025704644 [1,0,0,0,0,0|3,0,0]=4 517 B10R1.20 COc1ncncc1S[13CH3] 62a_200025704644_100000719902 [1,0,0,0,0,0|3,0,0]=4 518 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [1,0,0,0,0,0|3,0,0]=4 519 B10R1.20 CSc1cccnc1CN 62a_100020591323_200000210301 [1,0,0,0,0,0|2,1,0]=4 520 B10R1.20 CSc1cccnc1CN 62a_200000210301_100020591323 [1,0,0,0,0,0|2,1,0]=4 521 B10R1.20 CSc1cccnc1CO 62a_100011996772_200000210301 [1,0,0,0,0,0|2,1,0]=4 522 B10R1.20 CSc1cccnc1CO 62a_200000210301_100011996772 [1,0,0,0,0,0|2,1,0]=4 523 B10R1.20 CSc1cccnc1SC 62a_100011465278_200000210301 [1,0,0,0,0,0|2,1,0]=4 524 B10R1.20 CSc1cccnc1SC 62a_200000210301_100011465278 [1,0,0,0,0,0|2,1,0]=4 525 B10R1.20 CSc1ncccc1CN 62a_100015189234_200000210301 [1,0,0,0,0,0|2,1,0]=4 526 B10R1.20 CSc1ncccc1CN 62a_200000210301_100015189234 [1,0,0,0,0,0|2,1,0]=4 527 B10R1.20 CSc1ncccc1CO 62a_100000748726_200000210301 [1,0,0,0,0,0|2,1,0]=4 528 B10R1.20 CSc1ncccc1CO 62a_200000210301_100000748726 [1,0,0,0,0,0|2,1,0]=4 529 B10R1.20 CSc1ncccc1S[13CH3] 62a_100011465278_200025704644 [1,0,0,0,0,0|2,1,0]=4 530 B10R1.20 CSc1ncccc1S[13CH3] 62a_200025704644_100011465278 [1,0,0,0,0,0|2,1,0]=4 531 B10R1.20 CSc1nccnc1C#N 62a_200000210301_100000040484 [1,0,0,0,0,0|1,1,1]=4 532 B10R1.20 CSc1nccnc1C=O 62a_100000051000_200000210301 [1,0,0,0,0,0|1,1,1]=4 533 B10R1.20 CSc1nccnc1C=O 62a_200000210301_100000051000 [1,0,0,0,0,0|1,1,1]=4 534 B10R1.20 CSc1nccnc1CN 62a_100000729963_200000210301 [1,0,0,0,0,0|1,1,0]=3 535 B10R1.20 CSc1nccnc1CN 62a_200000210301_100000729963 [1,0,0,0,0,0|1,1,0]=3 536 B10R1.20 CSc1nccnc1CO 62a_100000057004_200000210301 [1,0,0,0,0,0|1,1,0]=3 537 B10R1.20 CSc1nccnc1CO 62a_200000210301_100000057004 [1,0,0,0,0,0|1,1,0]=3 538 B10R1.20 CSc1nccnc1NN 62a_200000210301_100000755098 [1,0,0,0,0,0|2,1,0]=4 539 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [1,0,0,0,0,0|3,0,0]=4 540 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [1,0,0,0,0,0|3,0,0]=4 541 B10R1.20 [13CH3]Oc1cccnc1C#N 34a_100000722750_200025704644 [1,0,0,0,0,0|2,0,1]=4 542 B10R1.20 [13CH3]Oc1cccnc1C#N 7a_100000722750_200025704644 [1,0,0,0,0,0|2,0,1]=4 543 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [1,0,0,0,0,0|2,0,0]=3 544 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [1,0,0,0,0,0|2,0,0]=3 545 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [1,0,0,0,0,0|2,0,0]=3 546 B10R1.20 [13CH3]Sc1cccnc1CN 62a_100020591323_200025704644 [1,0,0,0,0,0|2,1,0]=4 547 B10R1.20 [13CH3]Sc1cccnc1CN 62a_200025704644_100020591323 [1,0,0,0,0,0|2,1,0]=4 548 B10R1.20 [13CH3]Sc1cccnc1CO 62a_100011996772_200025704644 [1,0,0,0,0,0|2,1,0]=4 549 B10R1.20 [13CH3]Sc1cccnc1CO 62a_200025704644_100011996772 [1,0,0,0,0,0|2,1,0]=4 550 B10R1.20 [13CH3]Sc1ncccc1CN 62a_100015189234_200025704644 [1,0,0,0,0,0|2,1,0]=4 551 B10R1.20 [13CH3]Sc1ncccc1CN 62a_200025704644_100015189234 [1,0,0,0,0,0|2,1,0]=4 552 B10R1.20 [13CH3]Sc1ncccc1CO 62a_100000748726_200025704644 [1,0,0,0,0,0|2,1,0]=4 553 B10R1.20 [13CH3]Sc1ncccc1CO 62a_200025704644_100000748726 [1,0,0,0,0,0|2,1,0]=4 554 B10R1.20 [13CH3]Sc1nccnc1C#N 62a_200025704644_100000040484 [1,0,0,0,0,0|1,1,1]=4 555 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_100000051000_200025704644 [1,0,0,0,0,0|1,1,1]=4 556 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_200025704644_100000051000 [1,0,0,0,0,0|1,1,1]=4 557 B10R1.20 [13CH3]Sc1nccnc1CN 62a_100000729963_200025704644 [1,0,0,0,0,0|1,1,0]=3 558 B10R1.20 [13CH3]Sc1nccnc1CN 62a_200025704644_100000729963 [1,0,0,0,0,0|1,1,0]=3 559 B10R1.20 [13CH3]Sc1nccnc1CO 62a_100000057004_200025704644 [1,0,0,0,0,0|1,1,0]=3 560 B10R1.20 [13CH3]Sc1nccnc1CO 62a_200025704644_100000057004 [1,0,0,0,0,0|1,1,0]=3 561 B10R1.20 [13CH3]Sc1nccnc1NN 62a_200025704644_100000755098 [1,0,0,0,0,0|2,1,0]=4 562 B12R1.75 C=Cc1cccnc1OC(C)C 271570a_100011290941_200011465186 [0,1,0,0,0,0|1,0,2]=4 563 B12R1.75 CC(=Cc1nccnc1CN)C 271570a_100102525489_100000729963 [0,1,0,0,0,0|2,0,1]=4 564 B12R1.75 CC(=Cc1nccnc1CO)C 271570a_100102525489_100000057004 [0,1,0,0,0,0|2,0,1]=4 565 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.75 CC(C)Nc1nccnc1C#N 27a_100138425928_100000040484 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.75 CC(C)Oc1ccccc1CN 34a_100000185550_100000210206 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.75 CC(C)Oc1ccccc1CO 34a_100011216872_100000210206 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,1,0,0,0,0|3,0,0]=4 574 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,1,0,0,0,0|3,0,0]=4 575 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.75 CC(C)Oc1cccnc1C#N 34a_100000722750_100000210206 [0,1,0,0,0,0|2,0,1]=4 577 B12R1.75 CC(C)Oc1cccnc1C#N 7a_100000722750_100000210206 [0,1,0,0,0,0|2,0,1]=4 578 B12R1.75 CC(C)Oc1cccnc1CBr 34a_200020655725_100000210206 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.75 CC(C)Oc1cccnc1CBr 7a_200020655725_100000210206 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.75 CC(C)Oc1cccnc1CO 34a_100000731849_100000210206 [0,1,0,0,0,0|2,0,0]=3 581 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200011465186_200025704644 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200025704644_200011465186 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.75 CC(C)Sc1cccnc1CN 62a_100000210206_100020591323 [0,1,0,0,0,0|2,1,0]=4 584 B12R1.75 CC(C)Sc1cccnc1CN 62a_100020591323_100000210206 [0,1,0,0,0,0|2,1,0]=4 585 B12R1.75 CC(C)Sc1cccnc1CO 62a_100000210206_100011996772 [0,1,0,0,0,0|2,1,0]=4 586 B12R1.75 CC(C)Sc1cccnc1CO 62a_100011996772_100000210206 [0,1,0,0,0,0|2,1,0]=4 587 B12R1.75 CC(C)Sc1ncccc1CN 62a_100000210206_100015189234 [0,1,0,0,0,0|2,1,0]=4 588 B12R1.75 CC(C)Sc1ncccc1CN 62a_100015189234_100000210206 [0,1,0,0,0,0|2,1,0]=4 589 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000210206_100000748726 [0,1,0,0,0,0|2,1,0]=4 590 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000748726_100000210206 [0,1,0,0,0,0|2,1,0]=4 591 B12R1.75 CC(C)Sc1nccnc1C#N 62a_100000210206_100000040484 [0,1,0,0,0,0|1,1,1]=4 592 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000051000_100000210206 [0,1,0,0,0,0|1,1,1]=4 593 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000210206_100000051000 [0,1,0,0,0,0|1,1,1]=4 594 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000210206_100000729963 [0,1,0,0,0,0|1,1,0]=3 595 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000729963_100000210206 [0,1,0,0,0,0|1,1,0]=3 596 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000057004_100000210206 [0,1,0,0,0,0|1,1,0]=3 597 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000210206_100000057004 [0,1,0,0,0,0|1,1,0]=3 598 B12R1.75 CC(C)Sc1nccnc1NN 62a_100000210206_100000755098 [0,1,0,0,0,0|2,1,0]=4 599 B12R1.75 CCc1ccccc1NC(C)C 2230a_100000212081_100000210206 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.75 CCc1ccccc1NC(C)C 34a_100000212081_100000210206 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.75 CCc1ccccc1NC(C)C 7a_100000212081_100000210206 [0,1,0,0,0,0|3,0,0]=4 602 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,1,0,0,0,0|2,0,0]=3 603 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.75 CCc1ccccc1SC(C)C 62a_100000210206_100011215823 [0,1,0,0,0,0|2,1,0]=4 605 B12R1.75 CCc1ccccc1SC(C)C 62a_100011215823_100000210206 [0,1,0,0,0,0|2,1,0]=4 606 B12R1.75 CCc1cncnc1NC(C)C 27a_100138425928_200000100055 [0,1,0,0,0,0|3,0,0]=4 607 B12R1.75 CCc1cncnc1SC(C)C 62a_100000210206_200000100055 [0,1,0,0,0,0|2,1,0]=4 608 B12R1.75 CCc1cncnc1SC(C)C 62a_200000100055_100000210206 [0,1,0,0,0,0|2,1,0]=4 609 B12R1.75 CCc1ncccc1C=C(C)C 271570a_100102525489_100009877225 [0,1,0,0,0,0|2,0,1]=4 610 B12R1.75 CCc1ncccc1SC(C)C 62a_100000210206_100009877225 [0,1,0,0,0,0|1,1,0]=3 611 B12R1.75 CCc1ncccc1SC(C)C 62a_100009877225_100000210206 [0,1,0,0,0,0|1,1,0]=3 612 B12R1.75 CCc1nccnc1C=C(C)C 271570a_100102525489_100011995844 [0,1,0,0,0,0|1,0,1]=3 613 B12R1.75 CCc1nccnc1NC(C)C 27a_100138425928_100011995844 [0,1,0,0,0,0|1,0,0]=2 614 B12R1.75 CCc1nccnc1SC(C)C 62a_100000210206_100011995844 [0,1,0,0,0,0|0,1,0]=2 615 B12R1.75 CCc1nccnc1SC(C)C 62a_100011995844_100000210206 [0,1,0,0,0,0|0,1,0]=2 616 B12R1.75 CCc1ncncc1NC(C)C 27a_100138425928_100009816992 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.75 CCc1ncncc1SC(C)C 62a_100000210206_100009816992 [0,1,0,0,0,0|2,1,0]=4 618 B12R1.75 CCc1ncncc1SC(C)C 62a_100009816992_100000210206 [0,1,0,0,0,0|2,1,0]=4 619 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.75 CNc1cccnc1SC(C)C 62a_100000210206_200011806188 [0,1,0,0,0,0|2,1,0]=4 623 B12R1.75 CNc1ncccc1SC(C)C 62a_100000210206_100000700899 [0,1,0,0,0,0|2,1,0]=4 624 B12R1.75 CNc1ncccc1SC(C)C 62a_100000700899_100000210206 [0,1,0,0,0,0|2,1,0]=4 625 B12R1.75 CNc1nccnc1C=C(C)C 271570a_100102525489_100011529439 [0,1,0,0,0,0|2,0,1]=4 626 B12R1.75 CNc1nccnc1SC(C)C 62a_100000210206_100011529439 [0,1,0,0,0,0|1,1,0]=3 627 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [0,1,0,0,0,0|2,0,0]=3 631 B12R1.75 COc1cccnc1SC(C)C 62a_100000210206_100000690851 [0,1,0,0,0,0|2,1,0]=4 632 B12R1.75 COc1cccnc1SC(C)C 62a_100000767102_100000210206 [0,1,0,0,0,0|2,1,0]=4 633 B12R1.75 COc1ncccc1OC(C)C 34a_100000698397_100000210206 [0,1,0,0,0,0|2,0,0]=3 634 B12R1.75 COc1ncccc1OC(C)C 7a_100000698397_100000210206 [0,1,0,0,0,0|2,0,0]=3 635 B12R1.75 COc1ncccc1SC(C)C 62a_100000047025_100000210206 [0,1,0,0,0,0|2,1,0]=4 636 B12R1.75 COc1ncccc1SC(C)C 62a_100000210206_100000047025 [0,1,0,0,0,0|2,1,0]=4 637 B12R1.75 COc1nccnc1C=C(C)C 271570a_100102525489_100000749998 [0,1,0,0,0,0|2,0,1]=4 638 B12R1.75 COc1nccnc1NC(C)C 27a_100138425928_100009858322 [0,1,0,0,0,0|2,0,0]=3 639 B12R1.75 COc1nccnc1SC(C)C 62a_100000210206_100000749998 [0,1,0,0,0,0|1,1,0]=3 640 B12R1.75 COc1nccnc1SC(C)C 62a_100009858322_100000210206 [0,1,0,0,0,0|1,1,0]=3 641 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.75 CSc1cccnc1OC(C)C 62a_200000210301_200011465186 [0,1,0,0,0,0|2,0,0]=3 645 B12R1.75 CSc1cccnc1OC(C)C 62a_200011465186_200000210301 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,1,0,0,0,0|2,0,1]=4 647 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,1,0,0,0,0|2,0,1]=4 648 B12R1.75 CSc1ncccc1OC(F)F 62a_100000697348_200000210301 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.75 CSc1ncccc1OC(F)F 62a_200000210301_100000697348 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.75 CSc1ncccc1SC(C)C 62a_100000210206_100011465278 [0,1,0,0,0,0|2,1,0]=4 651 B12R1.75 CSc1ncccc1SC(C)C 62a_100011465278_100000210206 [0,1,0,0,0,0|2,1,0]=4 652 B12R1.75 [13CH3]Sc1ncccc1OC(F)F 62a_100000697348_200025704644 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.75 [13CH3]Sc1ncccc1OC(F)F 62a_200025704644_100000697348 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,1,0,0,0,0|3,0,0]=4 655 B12R1.77 CCc1nccnc1C(C)NC 269862a_106832991636_100000033879 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.77 CNc1nccnc1C(=O)OC 27a_100102657272_100000079898 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.77 COC(=O)c1nccnc1SC 62a_100000688410_200000210301 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.77 COC(=O)c1nccnc1SC 62a_200000210301_100000079898 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_100000688410_200025704644 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000079898 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.112 C=Cc1cc(cnc1OCC)Br 271570a_100011290941_200010177599 [0,1,0,0,0,0|1,0,2]=4 662 B12R1.112 CC=Cc1ncc(nc1OC)Br 271570a_100016259895_100010214903 [0,1,0,0,0,0|2,0,1]=4 663 B12R1.112 CC=Cc1ncc(nc1OC)N 271570a_100016259895_100010128448 [0,1,0,0,0,0|2,0,1]=4 664 B12R1.112 CCNc1ccc(cc1CC)Br 2230a_100000686106_100000210202 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.112 CCNc1ccc(cc1CC)Br 34a_100000686106_100000210202 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.112 CCNc1ccc(cc1CC)Br 7a_100000686106_100000210202 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.112 CCNc1ccc(cc1CC)Cl 2230a_100012017146_100000210202 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.112 CCNc1ccc(cc1CC)Cl 34a_100012017146_100000210202 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.112 CCNc1ccc(cc1CC)Cl 7a_100012017146_100000210202 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.112 CCNc1ccc(cc1CC)I 2230a_100000014069_100000210202 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.112 CCNc1ccc(cc1CC)I 34a_100000014069_100000210202 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.112 CCNc1ccc(cc1CC)I 7a_100000014069_100000210202 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.112 CCNc1ncc(cc1SC)C 27a_100015525214_100010884634 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.112 CCOc1ccc(cc1CBr)F 34a_100010161318_100000210202 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.112 CCOc1ccc(cc1CBr)F 7a_100010161318_100000210202 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.112 CCOc1ccc(cc1CC)Br 34a_100012338938_100000210202 [0,1,0,0,0,0|2,0,0]=3 677 B12R1.112 CCOc1ccc(cc1CC)Br 7a_100012338938_100000210202 [0,1,0,0,0,0|2,0,0]=3 678 B12R1.112 CCOc1ccc(cc1CC)C 34a_100009844793_100000210202 [0,1,0,0,0,0|2,0,0]=3 679 B12R1.112 CCOc1ccc(cc1CC)C 7a_100009844793_100000210202 [0,1,0,0,0,0|2,0,0]=3 680 B12R1.112 CCOc1ccc(cc1CC)F 34a_200000035566_100000210202 [0,1,0,0,0,0|2,0,0]=3 681 B12R1.112 CCOc1ccc(cc1CC)F 7a_200000035566_100000210202 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.112 CCOc1ccc(cc1CC)O 271570a_203496583355_200010070707 [0,1,0,0,0,0|2,0,0]=3 683 B12R1.112 CCOc1ccc(cc1CN)Br 34a_100000730032_100000210202 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.112 CCOc1ccc(cc1CN)Cl 34a_100000238540_100000210202 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.112 CCOc1ccc(cc1CO)Br 34a_100000184703_100000210202 [0,1,0,0,0,0|3,0,0]=4 686 B12R1.112 CCOc1ccc(cc1CO)Br 7a_100000184703_100000210202 [0,1,0,0,0,0|3,0,0]=4 687 B12R1.112 CCOc1ccc(cc1CO)C 34a_200011846009_100000210202 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.112 CCOc1ccc(cc1CO)C 7a_200011846009_100000210202 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.112 CCOc1ccc(cc1CO)Cl 34a_100011218961_100000210202 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.112 CCOc1ccc(cc1CO)Cl 7a_100011218961_100000210202 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.112 CCOc1ccc(cc1CO)F 34a_100011291448_100000210202 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.112 CCOc1ccc(cc1CO)F 7a_100011291448_100000210202 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.112 CCOc1ccc(cc1CO)I 34a_100000049520_100000210202 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.112 CCOc1ccc(cc1CO)I 7a_100000049520_100000210202 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.112 CCOc1ccc(cc1NC)Br 2230a_100000751366_200000210301 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.112 CCOc1ccc(cc1NC)Br 34a_100000751366_200000210301 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.112 CCOc1ccc(cc1NC)C 2230a_100011202655_200000210301 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.112 CCOc1ccc(cc1NC)C 34a_100011202655_200000210301 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.112 CCOc1ccc(cc1NC)Cl 2230a_100000742605_200000210301 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.112 CCOc1ccc(cc1NC)Cl 34a_100000742605_200000210301 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 2230a_100000751366_200025704644 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.112 CCOc1ccc(cc1N[13CH3])Br 34a_100000751366_200025704644 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.112 CCOc1ccc(cc1N[13CH3])C 2230a_100011202655_200025704644 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.112 CCOc1ccc(cc1N[13CH3])C 34a_100011202655_200025704644 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 2230a_100000742605_200025704644 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.112 CCOc1ccc(cc1N[13CH3])Cl 34a_100000742605_200025704644 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.112 CCOc1ccc(cc1OC)Br 34a_100000694246_100000210202 [0,1,0,0,0,0|3,0,0]=4 708 B12R1.112 CCOc1ccc(cc1OC)Br 7a_100000694246_100000210202 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.112 CCOc1ccc(cc1OC)C 34a_100000186466_100000210202 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.112 CCOc1ccc(cc1OC)Cl 34a_100000033002_100000210202 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.112 CCOc1ccc(cc1OC)F 34a_100000036057_100000210202 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.112 CCOc1ccc(cc1OC)F 7a_100000036057_100000210202 [0,1,0,0,0,0|3,0,0]=4 713 B12R1.112 CCOc1ccc(cc1OC)I 34a_100000049635_100000210202 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.112 CCOc1ccc(cc1OC)N 34a_100000726020_100000210202 [0,1,0,0,0,0|3,0,0]=4 715 B12R1.112 CCOc1ccc(cc1OC)O 271570a_203496583355_200012344064 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000210301_200000230997 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.112 CCOc1ccc(cc1SC)C 62a_200000230997_200000210301 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.112 CCOc1ccc(cc1SC)F 62a_100000171695_200000210301 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.112 CCOc1ccc(cc1SC)F 62a_200000210301_100000171695 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200000230997_200025704644 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.112 CCOc1ccc(cc1S[13CH3])C 62a_200025704644_200000230997 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_100000171695_200025704644 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.112 CCOc1ccc(cc1S[13CH3])F 62a_200025704644_100000171695 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.112 CCOc1ccc(nc1CC)C 34a_100000718140_100000210202 [0,1,0,0,0,0|1,0,0]=2 725 B12R1.112 CCOc1ccc(nc1CC)C 7a_100000718140_100000210202 [0,1,0,0,0,0|1,0,0]=2 726 B12R1.112 CCOc1ccc(nc1CCl)C 34a_100020630696_100000210202 [0,1,0,0,0,0|2,0,0]=3 727 B12R1.112 CCOc1ccc(nc1CCl)C 7a_100020630696_100000210202 [0,1,0,0,0,0|2,0,0]=3 728 B12R1.112 CCOc1ccc(nc1CO)C 34a_100000751967_100000210202 [0,1,0,0,0,0|2,0,0]=3 729 B12R1.112 CCOc1ccc(nc1OC)Br 34a_100010893133_100000210202 [0,1,0,0,0,0|2,0,0]=3 730 B12R1.112 CCOc1ncc(cc1OC)Cl 34a_200009845368_100000210202 [0,1,0,0,0,0|2,0,0]=3 731 B12R1.112 CCOc1ncc(cc1OC)O 271570a_203496583355_200010116856 [0,1,0,0,0,0|2,0,0]=3 732 B12R1.112 CCOc1ncc(cc1SC)Br 62a_200000210301_200010177599 [0,1,0,0,0,0|2,0,0]=3 733 B12R1.112 CCOc1ncc(cc1SC)Br 62a_200010177599_200000210301 [0,1,0,0,0,0|2,0,0]=3 734 B12R1.112 CCOc1ncc(cc1S[13CH3])Br 62a_200010177599_200025704644 [0,1,0,0,0,0|2,0,0]=3 735 B12R1.112 CCOc1ncc(cc1S[13CH3])Br 62a_200025704644_200010177599 [0,1,0,0,0,0|2,0,0]=3 736 B12R1.112 CCSc1ccc(cc1CC)Br 62a_100000210202_100011216195 [0,1,0,0,0,0|2,1,0]=4 737 B12R1.112 CCSc1ccc(cc1CC)Br 62a_100011216195_100000210202 [0,1,0,0,0,0|2,1,0]=4 738 B12R1.112 CCSc1ccc(cc1CC)N 62a_100000210202_100010109747 [0,1,0,0,0,0|2,1,0]=4 739 B12R1.112 CCSc1ccc(cc1CC)N 62a_100010109747_100000210202 [0,1,0,0,0,0|2,1,0]=4 740 B12R1.112 CCSc1ccc(nc1CO)C 62a_100000210202_100010074375 [0,1,0,0,0,0|2,1,0]=4 741 B12R1.112 CCSc1ccc(nc1CO)C 62a_100010074375_100000210202 [0,1,0,0,0,0|2,1,0]=4 742 B12R1.112 CCSc1ccc(nc1CO)F 62a_100000210202_100000701195 [0,1,0,0,0,0|2,1,0]=4 743 B12R1.112 CCSc1ccc(nc1CO)F 62a_100000701195_100000210202 [0,1,0,0,0,0|2,1,0]=4 744 B12R1.112 CCSc1ccc(nc1OC)C 62a_100000210202_100010138632 [0,1,0,0,0,0|2,1,0]=4 745 B12R1.112 CCSc1ccc(nc1OC)C 62a_100010138632_100000210202 [0,1,0,0,0,0|2,1,0]=4 746 B12R1.112 CCSc1ccc(nc1OC)N 62a_100000210202_100010187630 [0,1,0,0,0,0|2,1,0]=4 747 B12R1.112 CCSc1ccc(nc1OC)N 62a_100010187630_100000210202 [0,1,0,0,0,0|2,1,0]=4 748 B12R1.112 CCSc1ncc(cc1CN)F 62a_100000210202_100010760786 [0,1,0,0,0,0|2,1,0]=4 749 B12R1.112 CCSc1ncc(cc1CN)F 62a_100010760786_100000210202 [0,1,0,0,0,0|2,1,0]=4 750 B12R1.112 CCSc1ncc(cc1CO)C 62a_100000118064_100000210202 [0,1,0,0,0,0|2,1,0]=4 751 B12R1.112 CCSc1ncc(cc1CO)C 62a_100000210202_100000118064 [0,1,0,0,0,0|2,1,0]=4 752 B12R1.112 CCSc1ncc(cc1CO)F 62a_100000079972_100000210202 [0,1,0,0,0,0|2,1,0]=4 753 B12R1.112 CCSc1ncc(cc1CO)F 62a_100000210202_100000079972 [0,1,0,0,0,0|2,1,0]=4 754 B12R1.112 CCSc1ncc(cc1OC)C 62a_100000210202_200000118316 [0,1,0,0,0,0|2,1,0]=4 755 B12R1.112 CCSc1ncc(cc1OC)F 62a_100000210202_100009867738 [0,1,0,0,0,0|2,1,0]=4 756 B12R1.112 CCSc1ncc(cc1OC)F 62a_100010136273_100000210202 [0,1,0,0,0,0|2,1,0]=4 757 B12R1.112 CCSc1ncc(cc1OC)N 62a_100000210202_100000097218 [0,1,0,0,0,0|2,1,0]=4 758 B12R1.112 CCSc1ncc(cc1OC)N 62a_200010291755_100000210202 [0,1,0,0,0,0|2,1,0]=4 759 B12R1.112 CCSc1ncc(cc1SC)C 62a_100000210202_100010884634 [0,1,0,0,0,0|2,1,0]=4 760 B12R1.112 CCSc1ncc(cc1SC)C 62a_100010884634_100000210202 [0,1,0,0,0,0|2,1,0]=4 761 B12R1.112 CCSc1ncc(nc1OC)Br 62a_100000210202_100010214903 [0,1,0,0,0,0|1,1,0]=3 762 B12R1.112 CCSc1ncc(nc1OC)Br 62a_100010214903_100000210202 [0,1,0,0,0,0|1,1,0]=3 763 B12R1.112 CCSc1ncc(nc1OC)N 62a_100000210202_100010128448 [0,1,0,0,0,0|1,1,0]=3 764 B12R1.112 CCSc1ncc(nc1OC)N 62a_100010128448_100000210202 [0,1,0,0,0,0|1,1,0]=3 765 B12R1.112 CCc1cc(ccc1OCF)Br 34a_100012338938_100015361967 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.112 CCc1cc(ccc1OCF)Br 7a_100012338938_100015361967 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.112 CCc1cc(ccc1OCF)C 34a_100009844793_100015361967 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.112 CCc1cc(ccc1OCF)C 7a_100009844793_100015361967 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.112 CCc1cc(ccc1OCF)F 34a_200000035566_100015361967 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.112 CCc1cc(ccc1OCF)F 7a_200000035566_100015361967 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.112 CCc1nc(ccc1OCF)C 34a_100000718140_100015361967 [0,1,0,0,0,0|2,0,0]=3 772 B12R1.112 CCc1nc(ccc1OCF)C 7a_100000718140_100015361967 [0,1,0,0,0,0|2,0,0]=3 773 B12R1.112 COc1cc(cnc1OCF)Cl 34a_200009845368_100015361967 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.112 COc1nc(ccc1OCF)Br 34a_100010893133_100015361967 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.112 COc1nc(cnc1SCF)Br 62a_100010214903_100015361967 [0,1,0,0,0,0|2,1,0]=4 776 B12R1.112 COc1nc(cnc1SCF)Br 62a_100015361967_100010214903 [0,1,0,0,0,0|2,1,0]=4 777 B12R1.112 COc1nc(cnc1SCF)N 62a_100010128448_100015361967 [0,1,0,0,0,0|2,1,0]=4 778 B12R1.112 COc1nc(cnc1SCF)N 62a_100015361967_100010128448 [0,1,0,0,0,0|2,1,0]=4 779 B12R1.112 Cc1ccc(c(n1)CCl)OCF 34a_100020630696_100015361967 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.112 Cc1ccc(c(n1)CCl)OCF 7a_100020630696_100015361967 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.112 Cc1ccc(c(n1)CO)OCF 34a_100000751967_100015361967 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.121 C#CCNc1nccnc1CC 27a_100000212058_100011995844 [0,1,0,0,0,0|1,0,1]=3 783 B12R1.121 C#CCNc1nccnc1OC 27a_100000212058_100009858322 [0,1,0,0,0,0|2,0,1]=4 784 B12R1.121 C#CCOc1ccccc1CC 34a_100000210936_100000184674 [0,1,0,0,0,0|2,0,1]=4 785 B12R1.121 C#CCOc1ccccc1CC 7a_100000210936_100000038162 [0,1,0,0,0,0|2,0,1]=4 786 B12R1.121 C#CCOc1cccnc1CBr 34a_200020655725_100000184674 [0,1,0,0,0,0|2,0,1]=4 787 B12R1.121 C#CCOc1cccnc1CBr 7a_200020655725_100000038162 [0,1,0,0,0,0|2,0,1]=4 788 B12R1.121 C#CCOc1cccnc1CO 34a_100000731849_100000184674 [0,1,0,0,0,0|2,0,1]=4 789 B12R1.121 C#CCOc1cccnc1OC 34a_100000698397_100000184674 [0,1,0,0,0,0|2,0,1]=4 790 B12R1.121 C#CCOc1cccnc1OC 7a_100000698397_100000038162 [0,1,0,0,0,0|2,0,1]=4 791 B12R1.121 C#CCOc1ncccc1OC 34a_100025773188_100000184674 [0,1,0,0,0,0|2,0,1]=4 792 B12R1.121 C#CCSc1cccnc1CC 62a_100000038162_100009877225 [0,1,0,0,0,0|1,1,1]=4 793 B12R1.121 C#CCSc1nccnc1CC 62a_100000038162_100011995844 [0,1,0,0,0,0|0,1,1]=3 794 B12R1.121 C#CCSc1nccnc1CN 62a_100000038162_100000729963 [0,1,0,0,0,0|1,1,1]=4 795 B12R1.121 C#CCSc1nccnc1CO 62a_100000038162_100000057004 [0,1,0,0,0,0|1,1,1]=4 796 B12R1.121 C#CCSc1nccnc1NC 62a_100000038162_100011529439 [0,1,0,0,0,0|1,1,1]=4 797 B12R1.121 C#CCSc1nccnc1OC 62a_100000038162_100000749998 [0,1,0,0,0,0|1,1,1]=4 798 B12R1.121 C=CCNc1nccnc1CC 27a_100020586998_100011995844 [0,1,0,0,0,0|1,0,1]=3 799 B12R1.121 C=CCNc1nccnc1OC 27a_100020586998_100009858322 [0,1,0,0,0,0|2,0,1]=4 800 B12R1.121 C=CCOc1ccccc1CC 34a_100000210936_100015514636 [0,1,0,0,0,0|2,0,1]=4 801 B12R1.121 C=CCOc1ccccc1CC 7a_100000210936_100015514636 [0,1,0,0,0,0|2,0,1]=4 802 B12R1.121 C=CCOc1cccnc1CBr 34a_200020655725_100015514636 [0,1,0,0,0,0|2,0,1]=4 803 B12R1.121 C=CCOc1cccnc1CBr 7a_200020655725_100015514636 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.121 C=CCOc1cccnc1CO 34a_100000731849_100015514636 [0,1,0,0,0,0|2,0,1]=4 805 B12R1.121 C=CCOc1cccnc1OC 34a_100000698397_100015514636 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.121 C=CCOc1cccnc1OC 7a_100000698397_100015514636 [0,1,0,0,0,0|2,0,1]=4 807 B12R1.121 C=CCOc1ncccc1OC 34a_100025773188_100015514636 [0,1,0,0,0,0|2,0,1]=4 808 B12R1.121 C=CCSc1cccnc1CC 62a_100000210623_100009877225 [0,1,0,0,0,0|1,1,1]=4 809 B12R1.121 C=CCSc1cccnc1CC 62a_100009877225_100000210623 [0,1,0,0,0,0|1,1,1]=4 810 B12R1.121 C=CCSc1nccnc1CC 62a_100000210623_100011995844 [0,1,0,0,0,0|0,1,1]=3 811 B12R1.121 C=CCSc1nccnc1CC 62a_100011995844_100000210623 [0,1,0,0,0,0|0,1,1]=3 812 B12R1.121 C=CCSc1nccnc1CN 62a_100000210623_100000729963 [0,1,0,0,0,0|1,1,1]=4 813 B12R1.121 C=CCSc1nccnc1CN 62a_100000729963_100000210623 [0,1,0,0,0,0|1,1,1]=4 814 B12R1.121 C=CCSc1nccnc1CO 62a_100000057004_100000210623 [0,1,0,0,0,0|1,1,1]=4 815 B12R1.121 C=CCSc1nccnc1CO 62a_100000210623_100000057004 [0,1,0,0,0,0|1,1,1]=4 816 B12R1.121 C=CCSc1nccnc1NC 62a_100000210623_100011529439 [0,1,0,0,0,0|1,1,1]=4 817 B12R1.121 C=CCSc1nccnc1OC 62a_100000210623_100000749998 [0,1,0,0,0,0|1,1,1]=4 818 B12R1.121 C=CCSc1nccnc1OC 62a_100009858322_100000210623 [0,1,0,0,0,0|1,1,1]=4 819 B12R1.121 C=Cc1cccnc1OCCC 271570a_100011290941_200011465209 [0,1,0,0,0,0|1,0,2]=4 820 B12R1.121 C=Cc1ncccc1OCCF 271570a_100011290941_100012814765 [0,1,0,0,0,0|1,0,2]=4 821 B12R1.121 C=Cc1ncccc1OCOC 271570a_100011290941_100011935308 [0,1,0,0,0,0|1,0,2]=4 822 B12R1.121 C=Cc1nccnc1NCCO 271570a_100011290941_200011219046 [0,1,0,0,0,0|1,0,2]=4 823 B12R1.121 CC=NNc1nccnc1OC 4a_100000702116_200000210099 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [0,1,0,0,0,0|3,0,0]=4 825 B12R1.121 CCCCc1cccnc1CC 271570a_100020621405_100009877225 [0,1,0,0,0,0|2,0,0]=3 826 B12R1.121 CCCCc1cccnc1CN 271570a_100020621405_100020591323 [0,1,0,0,0,0|3,0,0]=4 827 B12R1.121 CCCCc1cccnc1CO 271570a_100020621405_100011996772 [0,1,0,0,0,0|3,0,0]=4 828 B12R1.121 CCCCc1cccnc1NC 271570a_100020621405_100000700899 [0,1,0,0,0,0|3,0,0]=4 829 B12R1.121 CCCCc1cccnc1OC 271570a_100020621405_100000047025 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.121 CCCCc1cccnc1SC 271570a_100020621405_100011465278 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.121 CCCCc1cncnc1CC 271570a_100020621405_100009816992 [0,1,0,0,0,0|3,0,0]=4 832 B12R1.121 CCCCc1ncccc1CN 271570a_100020621405_100015189234 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.121 CCCCc1ncccc1CO 271570a_100020621405_100000748726 [0,1,0,0,0,0|3,0,0]=4 834 B12R1.121 CCCCc1ncccc1NC 271570a_100020621405_200011806188 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.121 CCCCc1ncccc1OC 271570a_100020621405_100000690851 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.121 CCCCc1nccnc1C#N 271570a_100020621405_100000040484 [0,1,0,0,0,0|2,0,1]=4 837 B12R1.121 CCCCc1nccnc1CC 271570a_100020621405_100011995844 [0,1,0,0,0,0|1,0,0]=2 838 B12R1.121 CCCCc1nccnc1CN 271570a_100020621405_100000729963 [0,1,0,0,0,0|2,0,0]=3 839 B12R1.121 CCCCc1nccnc1CO 271570a_100020621405_100000057004 [0,1,0,0,0,0|2,0,0]=3 840 B12R1.121 CCCCc1nccnc1NC 271570a_100020621405_100011529439 [0,1,0,0,0,0|2,0,0]=3 841 B12R1.121 CCCCc1nccnc1NN 271570a_100020621405_100000755098 [0,1,0,0,0,0|3,0,0]=4 842 B12R1.121 CCCCc1nccnc1OC 271570a_100020621405_100000749998 [0,1,0,0,0,0|2,0,0]=3 843 B12R1.121 CCCCc1ncncc1CC 271570a_100020621405_200000100055 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.121 CCCNc1ccccc1CC 2230a_100000212081_100000210303 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.121 CCCNc1ccccc1CC 34a_100000212081_100000210303 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.121 CCCNc1ccccc1CC 7a_100000212081_100000210303 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [0,1,0,0,0,0|2,0,0]=3 848 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [0,1,0,0,0,0|2,0,0]=3 849 B12R1.121 CCCOc1ccccc1CN 34a_100000185550_100000210303 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.121 CCCOc1ccccc1CO 34a_100011216872_100000210303 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.121 CCCOc1ccccc1NC 27a_100102657272_100000174042 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.121 CCCOc1ccccc1NC 34a_100000033821_100000210303 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.121 CCCOc1ccccc1NC 34a_100000683936_200000210301 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.121 CCCOc1ccccc1N[13CH3] 34a_100000683936_200025704644 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.121 CCCOc1ccccc1SC 34a_100011216402_100000210303 [0,1,0,0,0,0|3,0,0]=4 861 B12R1.121 CCCOc1ccccc1SC 62a_100000174042_200000210301 [0,1,0,0,0,0|3,0,0]=4 862 B12R1.121 CCCOc1ccccc1SC 62a_200000210301_100000174042 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_100000174042_200025704644 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.121 CCCOc1ccccc1S[13CH3] 62a_200025704644_100000174042 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.121 CCCOc1cccnc1C#N 34a_100000722750_100000210303 [0,1,0,0,0,0|2,0,1]=4 866 B12R1.121 CCCOc1cccnc1C#N 7a_100000722750_100000210303 [0,1,0,0,0,0|2,0,1]=4 867 B12R1.121 CCCOc1cccnc1CBr 34a_200020655725_100000210303 [0,1,0,0,0,0|2,0,0]=3 868 B12R1.121 CCCOc1cccnc1CBr 7a_200020655725_100000210303 [0,1,0,0,0,0|2,0,0]=3 869 B12R1.121 CCCOc1cccnc1CO 34a_100000731849_100000210303 [0,1,0,0,0,0|2,0,0]=3 870 B12R1.121 CCCOc1cccnc1OC 34a_100000698397_100000210303 [0,1,0,0,0,0|2,0,0]=3 871 B12R1.121 CCCOc1cccnc1OC 7a_100000698397_100000210303 [0,1,0,0,0,0|2,0,0]=3 872 B12R1.121 CCCOc1ncccc1OC 34a_100025773188_100000210303 [0,1,0,0,0,0|2,0,0]=3 873 B12R1.121 CCCOc1ncccc1SC 62a_200000210301_200011465209 [0,1,0,0,0,0|2,0,0]=3 874 B12R1.121 CCCOc1ncccc1SC 62a_200011465209_200000210301 [0,1,0,0,0,0|2,0,0]=3 875 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200011465209_200025704644 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200025704644_200011465209 [0,1,0,0,0,0|2,0,0]=3 877 B12R1.121 CCCSc1ccccc1CC 62a_100000210303_100011215823 [0,1,0,0,0,0|2,1,0]=4 878 B12R1.121 CCCSc1ccccc1CC 62a_100011215823_100000210303 [0,1,0,0,0,0|2,1,0]=4 879 B12R1.121 CCCSc1cccnc1CC 62a_100000210303_100009877225 [0,1,0,0,0,0|1,1,0]=3 880 B12R1.121 CCCSc1cccnc1CC 62a_100009877225_100000210303 [0,1,0,0,0,0|1,1,0]=3 881 B12R1.121 CCCSc1cccnc1CN 62a_100000210303_100020591323 [0,1,0,0,0,0|2,1,0]=4 882 B12R1.121 CCCSc1cccnc1CN 62a_100020591323_100000210303 [0,1,0,0,0,0|2,1,0]=4 883 B12R1.121 CCCSc1cccnc1CO 62a_100000210303_100011996772 [0,1,0,0,0,0|2,1,0]=4 884 B12R1.121 CCCSc1cccnc1CO 62a_100011996772_100000210303 [0,1,0,0,0,0|2,1,0]=4 885 B12R1.121 CCCSc1cccnc1NC 62a_100000210303_100000700899 [0,1,0,0,0,0|2,1,0]=4 886 B12R1.121 CCCSc1cccnc1NC 62a_100000700899_100000210303 [0,1,0,0,0,0|2,1,0]=4 887 B12R1.121 CCCSc1cccnc1OC 62a_100000047025_100000210303 [0,1,0,0,0,0|2,1,0]=4 888 B12R1.121 CCCSc1cccnc1OC 62a_100000210303_100000047025 [0,1,0,0,0,0|2,1,0]=4 889 B12R1.121 CCCSc1cccnc1SC 62a_100000210303_100011465278 [0,1,0,0,0,0|2,1,0]=4 890 B12R1.121 CCCSc1cccnc1SC 62a_100011465278_100000210303 [0,1,0,0,0,0|2,1,0]=4 891 B12R1.121 CCCSc1cncnc1CC 62a_100000210303_100009816992 [0,1,0,0,0,0|2,1,0]=4 892 B12R1.121 CCCSc1cncnc1CC 62a_100009816992_100000210303 [0,1,0,0,0,0|2,1,0]=4 893 B12R1.121 CCCSc1ncccc1CN 62a_100000210303_100015189234 [0,1,0,0,0,0|2,1,0]=4 894 B12R1.121 CCCSc1ncccc1CN 62a_100015189234_100000210303 [0,1,0,0,0,0|2,1,0]=4 895 B12R1.121 CCCSc1ncccc1CO 62a_100000210303_100000748726 [0,1,0,0,0,0|2,1,0]=4 896 B12R1.121 CCCSc1ncccc1CO 62a_100000748726_100000210303 [0,1,0,0,0,0|2,1,0]=4 897 B12R1.121 CCCSc1ncccc1NC 62a_100000210303_200011806188 [0,1,0,0,0,0|2,1,0]=4 898 B12R1.121 CCCSc1ncccc1OC 62a_100000210303_100000690851 [0,1,0,0,0,0|2,1,0]=4 899 B12R1.121 CCCSc1ncccc1OC 62a_100000767102_100000210303 [0,1,0,0,0,0|2,1,0]=4 900 B12R1.121 CCCSc1nccnc1C#N 62a_100000210303_100000040484 [0,1,0,0,0,0|1,1,1]=4 901 B12R1.121 CCCSc1nccnc1C=O 62a_100000051000_100000210303 [0,1,0,0,0,0|1,1,1]=4 902 B12R1.121 CCCSc1nccnc1C=O 62a_100000210303_100000051000 [0,1,0,0,0,0|1,1,1]=4 903 B12R1.121 CCCSc1nccnc1CC 62a_100000210303_100011995844 [0,1,0,0,0,0|0,1,0]=2 904 B12R1.121 CCCSc1nccnc1CC 62a_100011995844_100000210303 [0,1,0,0,0,0|0,1,0]=2 905 B12R1.121 CCCSc1nccnc1CN 62a_100000210303_100000729963 [0,1,0,0,0,0|1,1,0]=3 906 B12R1.121 CCCSc1nccnc1CN 62a_100000729963_100000210303 [0,1,0,0,0,0|1,1,0]=3 907 B12R1.121 CCCSc1nccnc1CO 62a_100000057004_100000210303 [0,1,0,0,0,0|1,1,0]=3 908 B12R1.121 CCCSc1nccnc1CO 62a_100000210303_100000057004 [0,1,0,0,0,0|1,1,0]=3 909 B12R1.121 CCCSc1nccnc1NC 62a_100000210303_100011529439 [0,1,0,0,0,0|1,1,0]=3 910 B12R1.121 CCCSc1nccnc1NN 62a_100000210303_100000755098 [0,1,0,0,0,0|2,1,0]=4 911 B12R1.121 CCCSc1nccnc1OC 62a_100000210303_100000749998 [0,1,0,0,0,0|1,1,0]=3 912 B12R1.121 CCCSc1nccnc1OC 62a_100009858322_100000210303 [0,1,0,0,0,0|1,1,0]=3 913 B12R1.121 CCCSc1ncncc1CC 62a_100000210303_200000100055 [0,1,0,0,0,0|2,1,0]=4 914 B12R1.121 CCCSc1ncncc1CC 62a_200000100055_100000210303 [0,1,0,0,0,0|2,1,0]=4 915 B12R1.121 CCNCc1ccccc1CC 207a_100015525214_100011219594 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.121 CCNCc1ccccc1CC 270004a_100015525214_100011219594 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.121 CCNCc1cccnc1OC 207a_100015525214_100011290804 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.121 CCNCc1cccnc1OC 2230a_100015525214_100020631285 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.121 CCNCc1cccnc1OC 270004a_100015525214_100011290804 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.121 CCNCc1ncccc1OC 207a_100015525214_100011912573 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.121 CCNCc1ncccc1OC 270004a_100015525214_100011912573 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.121 CCOCc1ccccc1CBr 34a_100009816955_100000210202 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.121 CCOCc1ccccc1CBr 7a_100009816955_100000210202 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [0,1,0,0,0,0|2,0,0]=3 925 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [0,1,0,0,0,0|2,0,0]=3 926 B12R1.121 CCOCc1ccccc1CN 34a_100000743596_100000210202 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.121 CCOCc1ccccc1CO 34a_100121572206_100009816955 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.121 CCOCc1ccccc1SC 34a_100000699167_100000210202 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.121 CCOCc1ccccc1SC 34a_100121572206_100000699184 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.121 CCOCc1ccccc1SC 62a_200000210301_200011493690 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.121 CCOCc1ccccc1SC 62a_200011493690_200000210301 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200011493690_200025704644 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200025704644_200011493690 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.121 CCOCc1cccnc1C#N 34a_100121572206_100011768898 [0,1,0,0,0,0|2,0,1]=4 937 B12R1.121 CCOCc1cccnc1OC 34a_100000717863_100000210202 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.121 CCOCc1cccnc1OC 34a_100121572206_100020631285 [0,1,0,0,0,0|2,0,0]=3 939 B12R1.121 CCOCc1ncccc1OC 34a_100011998681_100000210202 [0,1,0,0,0,0|2,0,0]=3 940 B12R1.121 CCSCc1cccnc1OC 62a_100000210202_100020631285 [0,1,0,0,0,0|2,1,0]=4 941 B12R1.121 CCSCc1cccnc1OC 62a_100020631285_100000210202 [0,1,0,0,0,0|2,1,0]=4 942 B12R1.121 CCc1ccccc1CCNC 2230a_100011663701_200000210301 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.121 CCc1ccccc1CCNC 34a_100011663701_200000210301 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.121 CCc1ccccc1CCN[13CH3] 2230a_100011663701_200025704644 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.121 CCc1ccccc1CCN[13CH3] 34a_100011663701_200025704644 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.121 CCc1ccccc1COCF 34a_100011663872_100015361967 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.121 CCc1ccccc1COCF 7a_100011663872_100015361967 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.121 CCc1ccccc1NCCF 2230a_100000212081_100011217306 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.121 CCc1ccccc1NCCF 34a_100000212081_100011217306 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.121 CCc1ccccc1NCCF 7a_100000212081_100011217306 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.121 CCc1ccccc1NCCO 2230a_100000212081_100000211926 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.121 CCc1ccccc1NCCO 34a_100000212081_100000211926 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.121 CCc1ccccc1NCCO 7a_100000212081_100000211926 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.121 CCc1ccccc1NCOC 2230a_100000212081_100000766300 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.121 CCc1ccccc1NCSC 2230a_100000212081_100011218213 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.121 CCc1ccccc1NCSC 34a_100000212081_100011218213 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.121 CCc1ccccc1OCC#N 7a_100000210936_100011215382 [0,1,0,0,0,0|2,0,1]=4 958 B12R1.121 CCc1ccccc1OCC=O 34a_100000210936_200009817547 [0,1,0,0,0,0|2,0,1]=4 959 B12R1.121 CCc1ccccc1OCC=O 7a_100000210936_200015260668 [0,1,0,0,0,0|2,0,1]=4 960 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [0,1,0,0,0,0|2,0,0]=3 961 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [0,1,0,0,0,0|2,0,0]=3 962 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [0,1,0,0,0,0|2,0,0]=3 963 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [0,1,0,0,0,0|2,0,0]=3 964 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [0,1,0,0,0,0|2,0,0]=3 965 B12R1.121 CCc1ccccc1SCCF 62a_100011215823_100011217306 [0,1,0,0,0,0|2,1,0]=4 966 B12R1.121 CCc1ccccc1SCCF 62a_100011217306_100011215823 [0,1,0,0,0,0|2,1,0]=4 967 B12R1.121 CCc1ccccc1SCCO 62a_100000211926_100011215823 [0,1,0,0,0,0|2,1,0]=4 968 B12R1.121 CCc1ccccc1SCCO 62a_100011215823_100000211926 [0,1,0,0,0,0|2,1,0]=4 969 B12R1.121 CCc1ccccc1SCOC 62a_100000766300_100011215823 [0,1,0,0,0,0|2,1,0]=4 970 B12R1.121 CCc1ccccc1SCOC 62a_100011215823_100000766300 [0,1,0,0,0,0|2,1,0]=4 971 B12R1.121 CCc1ccccc1SCSC 62a_100011215823_100011218213 [0,1,0,0,0,0|2,1,0]=4 972 B12R1.121 CCc1ccccc1SCSC 62a_100011218213_100011215823 [0,1,0,0,0,0|2,1,0]=4 973 B12R1.121 CCc1cncnc1NCCO 27a_100000210304_200000100055 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.121 CCc1cncnc1SCCF 62a_100011217306_200000100055 [0,1,0,0,0,0|2,1,0]=4 975 B12R1.121 CCc1cncnc1SCCF 62a_200000100055_100011217306 [0,1,0,0,0,0|2,1,0]=4 976 B12R1.121 CCc1cncnc1SCCO 62a_100000211926_200000100055 [0,1,0,0,0,0|2,1,0]=4 977 B12R1.121 CCc1cncnc1SCCO 62a_200000100055_100000211926 [0,1,0,0,0,0|2,1,0]=4 978 B12R1.121 CCc1cncnc1SCOC 62a_100000766300_200000100055 [0,1,0,0,0,0|2,1,0]=4 979 B12R1.121 CCc1cncnc1SCOC 62a_200000100055_100000766300 [0,1,0,0,0,0|2,1,0]=4 980 B12R1.121 CCc1cncnc1SCSC 62a_100011218213_200000100055 [0,1,0,0,0,0|2,1,0]=4 981 B12R1.121 CCc1cncnc1SCSC 62a_200000100055_100011218213 [0,1,0,0,0,0|2,1,0]=4 982 B12R1.121 CCc1ncccc1SCC#N 62a_100009877225_100011215382 [0,1,0,0,0,0|1,1,1]=4 983 B12R1.121 CCc1ncccc1SCC#N 62a_100011215382_100009877225 [0,1,0,0,0,0|1,1,1]=4 984 B12R1.121 CCc1ncccc1SCC=O 62a_100009877225_200015260668 [0,1,0,0,0,0|1,1,1]=4 985 B12R1.121 CCc1ncccc1SCC=O 62a_200015260668_100009877225 [0,1,0,0,0,0|1,1,1]=4 986 B12R1.121 CCc1ncccc1SCCF 62a_100009877225_100011217306 [0,1,0,0,0,0|1,1,0]=3 987 B12R1.121 CCc1ncccc1SCCF 62a_100011217306_100009877225 [0,1,0,0,0,0|1,1,0]=3 988 B12R1.121 CCc1ncccc1SCCO 62a_100000211926_100009877225 [0,1,0,0,0,0|1,1,0]=3 989 B12R1.121 CCc1ncccc1SCCO 62a_100009877225_100000211926 [0,1,0,0,0,0|1,1,0]=3 990 B12R1.121 CCc1ncccc1SCOC 62a_100000766300_100009877225 [0,1,0,0,0,0|1,1,0]=3 991 B12R1.121 CCc1ncccc1SCOC 62a_100009877225_100000766300 [0,1,0,0,0,0|1,1,0]=3 992 B12R1.121 CCc1ncccc1SCSC 62a_100009877225_100011218213 [0,1,0,0,0,0|1,1,0]=3 993 B12R1.121 CCc1ncccc1SCSC 62a_100011218213_100009877225 [0,1,0,0,0,0|1,1,0]=3 994 B12R1.121 CCc1nccnc1NCCO 27a_100000210304_100011995844 [0,1,0,0,0,0|1,0,0]=2 995 B12R1.121 CCc1nccnc1SCC#N 62a_100011215382_100011995844 [0,1,0,0,0,0|0,1,1]=3 996 B12R1.121 CCc1nccnc1SCC#N 62a_100011995844_100011215382 [0,1,0,0,0,0|0,1,1]=3 997 B12R1.121 CCc1nccnc1SCC=O 62a_100011995844_200015260668 [0,1,0,0,0,0|0,1,1]=3 998 B12R1.121 CCc1nccnc1SCC=O 62a_200015260668_100011995844 [0,1,0,0,0,0|0,1,1]=3 999 B12R1.121 CCc1nccnc1SCCF 62a_100011217306_100011995844 [0,1,0,0,0,0|0,1,0]=2 1000 B12R1.121 CCc1nccnc1SCCF 62a_100011995844_100011217306 [0,1,0,0,0,0|0,1,0]=2 1001 B12R1.121 CCc1nccnc1SCCO 62a_100000211926_100011995844 [0,1,0,0,0,0|0,1,0]=2 1002 B12R1.121 CCc1nccnc1SCCO 62a_100011995844_100000211926 [0,1,0,0,0,0|0,1,0]=2 1003 B12R1.121 CCc1nccnc1SCOC 62a_100000766300_100011995844 [0,1,0,0,0,0|0,1,0]=2 1004 B12R1.121 CCc1nccnc1SCOC 62a_100011995844_100000766300 [0,1,0,0,0,0|0,1,0]=2 1005 B12R1.121 CCc1nccnc1SCSC 62a_100011218213_100011995844 [0,1,0,0,0,0|0,1,0]=2 1006 B12R1.121 CCc1nccnc1SCSC 62a_100011995844_100011218213 [0,1,0,0,0,0|0,1,0]=2 1007 B12R1.121 CCc1ncncc1NCCO 27a_100000210304_100009816992 [0,1,0,0,0,0|3,0,0]=4 1008 B12R1.121 CCc1ncncc1SCCF 62a_100009816992_100011217306 [0,1,0,0,0,0|2,1,0]=4 1009 B12R1.121 CCc1ncncc1SCCF 62a_100011217306_100009816992 [0,1,0,0,0,0|2,1,0]=4 1010 B12R1.121 CCc1ncncc1SCCO 62a_100000211926_100009816992 [0,1,0,0,0,0|2,1,0]=4 1011 B12R1.121 CCc1ncncc1SCCO 62a_100009816992_100000211926 [0,1,0,0,0,0|2,1,0]=4 1012 B12R1.121 CCc1ncncc1SCOC 62a_100000766300_100009816992 [0,1,0,0,0,0|2,1,0]=4 1013 B12R1.121 CCc1ncncc1SCOC 62a_100009816992_100000766300 [0,1,0,0,0,0|2,1,0]=4 1014 B12R1.121 CCc1ncncc1SCSC 62a_100009816992_100011218213 [0,1,0,0,0,0|2,1,0]=4 1015 B12R1.121 CCc1ncncc1SCSC 62a_100011218213_100009816992 [0,1,0,0,0,0|2,1,0]=4 1016 B12R1.121 CNc1ccccc1OCCF 34a_100000033821_100011217306 [0,1,0,0,0,0|3,0,0]=4 1017 B12R1.121 CNc1ccccc1OCCF 34a_100012000959_200000210301 [0,1,0,0,0,0|3,0,0]=4 1018 B12R1.121 CNc1ccccc1OCCO 34a_100000033821_100000211926 [0,1,0,0,0,0|3,0,0]=4 1019 B12R1.121 CNc1ccccc1OCCO 34a_100132302172_200000210301 [0,1,0,0,0,0|3,0,0]=4 1020 B12R1.121 CNc1ccccc1OCSC 34a_100000033821_100011218213 [0,1,0,0,0,0|3,0,0]=4 1021 B12R1.121 CNc1cccnc1SCCF 62a_100011217306_200011806188 [0,1,0,0,0,0|2,1,0]=4 1022 B12R1.121 CNc1cccnc1SCCO 62a_100000211926_200011806188 [0,1,0,0,0,0|2,1,0]=4 1023 B12R1.121 CNc1cccnc1SCOC 62a_100000766300_200011806188 [0,1,0,0,0,0|2,1,0]=4 1024 B12R1.121 CNc1cccnc1SCSC 62a_100011218213_200011806188 [0,1,0,0,0,0|2,1,0]=4 1025 B12R1.121 CNc1ncccc1OCCF 27a_100102657272_100012814765 [0,1,0,0,0,0|2,0,0]=3 1026 B12R1.121 CNc1ncccc1SCCF 62a_100000700899_100011217306 [0,1,0,0,0,0|2,1,0]=4 1027 B12R1.121 CNc1ncccc1SCCF 62a_100011217306_100000700899 [0,1,0,0,0,0|2,1,0]=4 1028 B12R1.121 CNc1ncccc1SCCO 62a_100000211926_100000700899 [0,1,0,0,0,0|2,1,0]=4 1029 B12R1.121 CNc1ncccc1SCCO 62a_100000700899_100000211926 [0,1,0,0,0,0|2,1,0]=4 1030 B12R1.121 CNc1ncccc1SCOC 62a_100000700899_100000766300 [0,1,0,0,0,0|2,1,0]=4 1031 B12R1.121 CNc1ncccc1SCOC 62a_100000766300_100000700899 [0,1,0,0,0,0|2,1,0]=4 1032 B12R1.121 CNc1ncccc1SCSC 62a_100000700899_100011218213 [0,1,0,0,0,0|2,1,0]=4 1033 B12R1.121 CNc1ncccc1SCSC 62a_100011218213_100000700899 [0,1,0,0,0,0|2,1,0]=4 1034 B12R1.121 CNc1nccnc1SCC#N 62a_100011215382_100011529439 [0,1,0,0,0,0|1,1,1]=4 1035 B12R1.121 CNc1nccnc1SCC=O 62a_200015260668_100011529439 [0,1,0,0,0,0|1,1,1]=4 1036 B12R1.121 CNc1nccnc1SCCF 62a_100011217306_100011529439 [0,1,0,0,0,0|1,1,0]=3 1037 B12R1.121 CNc1nccnc1SCCO 62a_100000211926_100011529439 [0,1,0,0,0,0|1,1,0]=3 1038 B12R1.121 CNc1nccnc1SCOC 62a_100000766300_100011529439 [0,1,0,0,0,0|1,1,0]=3 1039 B12R1.121 CNc1nccnc1SCSC 62a_100011218213_100011529439 [0,1,0,0,0,0|1,1,0]=3 1040 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [0,1,0,0,0,0|3,0,0]=4 1042 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [0,1,0,0,0,0|3,0,0]=4 1043 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [0,1,0,0,0,0|3,0,0]=4 1044 B12R1.121 COCOc1cccnc1SC 62a_100011935308_200000210301 [0,1,0,0,0,0|2,0,0]=3 1045 B12R1.121 COCOc1cccnc1SC 62a_200000210301_100011935308 [0,1,0,0,0,0|2,0,0]=3 1046 B12R1.121 COCOc1cccnc1S[13CH3] 62a_100011935308_200025704644 [0,1,0,0,0,0|2,0,0]=3 1047 B12R1.121 COCOc1cccnc1S[13CH3] 62a_200025704644_100011935308 [0,1,0,0,0,0|2,0,0]=3 1048 B12R1.121 COCSc1cccnc1CN 62a_100000766300_100020591323 [0,1,0,0,0,0|2,1,0]=4 1049 B12R1.121 COCSc1cccnc1CN 62a_100020591323_100000766300 [0,1,0,0,0,0|2,1,0]=4 1050 B12R1.121 COCSc1cccnc1CO 62a_100000766300_100011996772 [0,1,0,0,0,0|2,1,0]=4 1051 B12R1.121 COCSc1cccnc1CO 62a_100011996772_100000766300 [0,1,0,0,0,0|2,1,0]=4 1052 B12R1.121 COCSc1cccnc1OC 62a_100000047025_100000766300 [0,1,0,0,0,0|2,1,0]=4 1053 B12R1.121 COCSc1cccnc1OC 62a_100000766300_100000047025 [0,1,0,0,0,0|2,1,0]=4 1054 B12R1.121 COCSc1cccnc1SC 62a_100000766300_100011465278 [0,1,0,0,0,0|2,1,0]=4 1055 B12R1.121 COCSc1cccnc1SC 62a_100011465278_100000766300 [0,1,0,0,0,0|2,1,0]=4 1056 B12R1.121 COCSc1ncccc1CN 62a_100000766300_100015189234 [0,1,0,0,0,0|2,1,0]=4 1057 B12R1.121 COCSc1ncccc1CN 62a_100015189234_100000766300 [0,1,0,0,0,0|2,1,0]=4 1058 B12R1.121 COCSc1ncccc1CO 62a_100000748726_100000766300 [0,1,0,0,0,0|2,1,0]=4 1059 B12R1.121 COCSc1ncccc1CO 62a_100000766300_100000748726 [0,1,0,0,0,0|2,1,0]=4 1060 B12R1.121 COCSc1ncccc1OC 62a_100000766300_100000690851 [0,1,0,0,0,0|2,1,0]=4 1061 B12R1.121 COCSc1ncccc1OC 62a_100000767102_100000766300 [0,1,0,0,0,0|2,1,0]=4 1062 B12R1.121 COCSc1nccnc1C#N 62a_100000766300_100000040484 [0,1,0,0,0,0|1,1,1]=4 1063 B12R1.121 COCSc1nccnc1C=O 62a_100000051000_100000766300 [0,1,0,0,0,0|1,1,1]=4 1064 B12R1.121 COCSc1nccnc1C=O 62a_100000766300_100000051000 [0,1,0,0,0,0|1,1,1]=4 1065 B12R1.121 COCSc1nccnc1CN 62a_100000729963_100000766300 [0,1,0,0,0,0|1,1,0]=3 1066 B12R1.121 COCSc1nccnc1CN 62a_100000766300_100000729963 [0,1,0,0,0,0|1,1,0]=3 1067 B12R1.121 COCSc1nccnc1CO 62a_100000057004_100000766300 [0,1,0,0,0,0|1,1,0]=3 1068 B12R1.121 COCSc1nccnc1CO 62a_100000766300_100000057004 [0,1,0,0,0,0|1,1,0]=3 1069 B12R1.121 COCSc1nccnc1NN 62a_100000766300_100000755098 [0,1,0,0,0,0|2,1,0]=4 1070 B12R1.121 COCSc1nccnc1OC 62a_100000766300_100000749998 [0,1,0,0,0,0|1,1,0]=3 1071 B12R1.121 COCSc1nccnc1OC 62a_100009858322_100000766300 [0,1,0,0,0,0|1,1,0]=3 1072 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [0,1,0,0,0,0|3,0,0]=4 1073 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [0,1,0,0,0,0|3,0,0]=4 1074 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [0,1,0,0,0,0|3,0,0]=4 1075 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [0,1,0,0,0,0|3,0,0]=4 1076 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [0,1,0,0,0,0|3,0,0]=4 1077 B12R1.121 COc1cccnc1COCF 34a_100011998681_100015361967 [0,1,0,0,0,0|3,0,0]=4 1078 B12R1.121 COc1cccnc1OCC=O 34a_100025773188_200009817547 [0,1,0,0,0,0|2,0,1]=4 1079 B12R1.121 COc1cccnc1OCCF 34a_100025773188_100011217306 [0,1,0,0,0,0|2,0,0]=3 1080 B12R1.121 COc1cccnc1OCCO 34a_100025773188_100000211926 [0,1,0,0,0,0|2,0,0]=3 1081 B12R1.121 COc1cccnc1OCSC 34a_100025773188_100011218213 [0,1,0,0,0,0|2,0,0]=3 1082 B12R1.121 COc1cccnc1SCCF 62a_100000767102_100011217306 [0,1,0,0,0,0|2,1,0]=4 1083 B12R1.121 COc1cccnc1SCCF 62a_100011217306_100000690851 [0,1,0,0,0,0|2,1,0]=4 1084 B12R1.121 COc1cccnc1SCCO 62a_100000211926_100000690851 [0,1,0,0,0,0|2,1,0]=4 1085 B12R1.121 COc1cccnc1SCCO 62a_100000767102_100000211926 [0,1,0,0,0,0|2,1,0]=4 1086 B12R1.121 COc1cccnc1SCSC 62a_100000767102_100011218213 [0,1,0,0,0,0|2,1,0]=4 1087 B12R1.121 COc1cccnc1SCSC 62a_100011218213_100000690851 [0,1,0,0,0,0|2,1,0]=4 1088 B12R1.121 COc1ncccc1COCF 34a_100000717863_100015361967 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.121 COc1ncccc1OCC#N 7a_100000698397_100011215382 [0,1,0,0,0,0|2,0,1]=4 1090 B12R1.121 COc1ncccc1OCC=O 34a_100000698397_200009817547 [0,1,0,0,0,0|2,0,1]=4 1091 B12R1.121 COc1ncccc1OCC=O 7a_100000698397_200015260668 [0,1,0,0,0,0|2,0,1]=4 1092 B12R1.121 COc1ncccc1OCCF 34a_100000698397_100011217306 [0,1,0,0,0,0|2,0,0]=3 1093 B12R1.121 COc1ncccc1OCCF 7a_100000698397_100011217306 [0,1,0,0,0,0|2,0,0]=3 1094 B12R1.121 COc1ncccc1OCCO 34a_100000698397_100000211926 [0,1,0,0,0,0|2,0,0]=3 1095 B12R1.121 COc1ncccc1OCCO 7a_100000698397_100000211926 [0,1,0,0,0,0|2,0,0]=3 1096 B12R1.121 COc1ncccc1OCSC 34a_100000698397_100011218213 [0,1,0,0,0,0|2,0,0]=3 1097 B12R1.121 COc1ncccc1SCCF 62a_100000047025_100011217306 [0,1,0,0,0,0|2,1,0]=4 1098 B12R1.121 COc1ncccc1SCCF 62a_100011217306_100000047025 [0,1,0,0,0,0|2,1,0]=4 1099 B12R1.121 COc1ncccc1SCCO 62a_100000047025_100000211926 [0,1,0,0,0,0|2,1,0]=4 1100 B12R1.121 COc1ncccc1SCCO 62a_100000211926_100000047025 [0,1,0,0,0,0|2,1,0]=4 1101 B12R1.121 COc1ncccc1SCSC 62a_100000047025_100011218213 [0,1,0,0,0,0|2,1,0]=4 1102 B12R1.121 COc1ncccc1SCSC 62a_100011218213_100000047025 [0,1,0,0,0,0|2,1,0]=4 1103 B12R1.121 COc1nccnc1NCCO 27a_100000210304_100009858322 [0,1,0,0,0,0|2,0,0]=3 1104 B12R1.121 COc1nccnc1SCC#N 62a_100009858322_100011215382 [0,1,0,0,0,0|1,1,1]=4 1105 B12R1.121 COc1nccnc1SCC#N 62a_100011215382_100000749998 [0,1,0,0,0,0|1,1,1]=4 1106 B12R1.121 COc1nccnc1SCC=O 62a_100009858322_200015260668 [0,1,0,0,0,0|1,1,1]=4 1107 B12R1.121 COc1nccnc1SCC=O 62a_200015260668_100000749998 [0,1,0,0,0,0|1,1,1]=4 1108 B12R1.121 COc1nccnc1SCCF 62a_100009858322_100011217306 [0,1,0,0,0,0|1,1,0]=3 1109 B12R1.121 COc1nccnc1SCCF 62a_100011217306_100000749998 [0,1,0,0,0,0|1,1,0]=3 1110 B12R1.121 COc1nccnc1SCCO 62a_100000211926_100000749998 [0,1,0,0,0,0|1,1,0]=3 1111 B12R1.121 COc1nccnc1SCCO 62a_100009858322_100000211926 [0,1,0,0,0,0|1,1,0]=3 1112 B12R1.121 COc1nccnc1SCSC 62a_100009858322_100011218213 [0,1,0,0,0,0|1,1,0]=3 1113 B12R1.121 COc1nccnc1SCSC 62a_100011218213_100000749998 [0,1,0,0,0,0|1,1,0]=3 1114 B12R1.121 CSCOc1ccccc1CN 34a_100000185550_100011218213 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.121 CSCOc1ccccc1CO 34a_100011216872_100011218213 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.121 CSCOc1ccccc1SC 34a_100011216402_100011218213 [0,1,0,0,0,0|3,0,0]=4 1117 B12R1.121 CSCOc1cccnc1C#N 34a_100000722750_100011218213 [0,1,0,0,0,0|2,0,1]=4 1118 B12R1.121 CSCOc1cccnc1CBr 34a_200020655725_100011218213 [0,1,0,0,0,0|2,0,0]=3 1119 B12R1.121 CSCOc1cccnc1CO 34a_100000731849_100011218213 [0,1,0,0,0,0|2,0,0]=3 1120 B12R1.121 CSCSc1cccnc1CN 62a_100011218213_100020591323 [0,1,0,0,0,0|2,1,0]=4 1121 B12R1.121 CSCSc1cccnc1CN 62a_100020591323_100011218213 [0,1,0,0,0,0|2,1,0]=4 1122 B12R1.121 CSCSc1cccnc1CO 62a_100011218213_100011996772 [0,1,0,0,0,0|2,1,0]=4 1123 B12R1.121 CSCSc1cccnc1CO 62a_100011996772_100011218213 [0,1,0,0,0,0|2,1,0]=4 1124 B12R1.121 CSCSc1cccnc1SC 62a_100011218213_100011465278 [0,1,0,0,0,0|2,1,0]=4 1125 B12R1.121 CSCSc1cccnc1SC 62a_100011465278_100011218213 [0,1,0,0,0,0|2,1,0]=4 1126 B12R1.121 CSCSc1ncccc1CN 62a_100011218213_100015189234 [0,1,0,0,0,0|2,1,0]=4 1127 B12R1.121 CSCSc1ncccc1CN 62a_100015189234_100011218213 [0,1,0,0,0,0|2,1,0]=4 1128 B12R1.121 CSCSc1ncccc1CO 62a_100000748726_100011218213 [0,1,0,0,0,0|2,1,0]=4 1129 B12R1.121 CSCSc1ncccc1CO 62a_100011218213_100000748726 [0,1,0,0,0,0|2,1,0]=4 1130 B12R1.121 CSCSc1nccnc1C#N 62a_100011218213_100000040484 [0,1,0,0,0,0|1,1,1]=4 1131 B12R1.121 CSCSc1nccnc1C=O 62a_100000051000_100011218213 [0,1,0,0,0,0|1,1,1]=4 1132 B12R1.121 CSCSc1nccnc1C=O 62a_100011218213_100000051000 [0,1,0,0,0,0|1,1,1]=4 1133 B12R1.121 CSCSc1nccnc1CN 62a_100000729963_100011218213 [0,1,0,0,0,0|1,1,0]=3 1134 B12R1.121 CSCSc1nccnc1CN 62a_100011218213_100000729963 [0,1,0,0,0,0|1,1,0]=3 1135 B12R1.121 CSCSc1nccnc1CO 62a_100000057004_100011218213 [0,1,0,0,0,0|1,1,0]=3 1136 B12R1.121 CSCSc1nccnc1CO 62a_100011218213_100000057004 [0,1,0,0,0,0|1,1,0]=3 1137 B12R1.121 CSCSc1nccnc1NN 62a_100011218213_100000755098 [0,1,0,0,0,0|2,1,0]=4 1138 B12R1.121 CSc1ccccc1OCCF 34a_100011216402_100011217306 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.121 CSc1ccccc1OCCN 62a_100000744007_200000210301 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.121 CSc1ccccc1OCCN 62a_200000210301_100000744007 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.121 CSc1ccccc1OCCO 34a_100011216402_100000211926 [0,1,0,0,0,0|3,0,0]=4 1142 B12R1.121 CSc1ccccc1OCCO 62a_100000230753_200000210301 [0,1,0,0,0,0|3,0,0]=4 1143 B12R1.121 CSc1ccccc1OCCO 62a_200000210301_100000230753 [0,1,0,0,0,0|3,0,0]=4 1144 B12R1.121 CSc1cccnc1NCCO 62a_200000210301_200011464885 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.121 CSc1cccnc1NCCO 62a_200011464885_200000210301 [0,1,0,0,0,0|3,0,0]=4 1146 B12R1.121 CSc1ncccc1OCCF 62a_100012814765_200000210301 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.121 CSc1ncccc1OCCF 62a_200000210301_100012814765 [0,1,0,0,0,0|2,0,0]=3 1148 B12R1.121 CSc1ncccc1SCCF 62a_100011217306_100011465278 [0,1,0,0,0,0|2,1,0]=4 1149 B12R1.121 CSc1ncccc1SCCF 62a_100011465278_100011217306 [0,1,0,0,0,0|2,1,0]=4 1150 B12R1.121 CSc1ncccc1SCCO 62a_100000211926_100011465278 [0,1,0,0,0,0|2,1,0]=4 1151 B12R1.121 CSc1ncccc1SCCO 62a_100011465278_100000211926 [0,1,0,0,0,0|2,1,0]=4 1152 B12R1.121 CSc1nccnc1NCCO 62a_200000210301_200011219046 [0,1,0,0,0,0|2,0,0]=3 1153 B12R1.121 CSc1nccnc1NCCO 62a_200011219046_200000210301 [0,1,0,0,0,0|2,0,0]=3 1154 B12R1.121 FCCOc1cccnc1CBr 34a_200020655725_100011217306 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.121 FCCOc1cccnc1CBr 7a_200020655725_100011217306 [0,1,0,0,0,0|2,0,0]=3 1156 B12R1.121 N#CCOc1cccnc1CBr 7a_200020655725_100011215382 [0,1,0,0,0,0|2,0,1]=4 1157 B12R1.121 N#CCSc1nccnc1CN 62a_100000729963_100011215382 [0,1,0,0,0,0|1,1,1]=4 1158 B12R1.121 N#CCSc1nccnc1CN 62a_100011215382_100000729963 [0,1,0,0,0,0|1,1,1]=4 1159 B12R1.121 N#CCSc1nccnc1CO 62a_100000057004_100011215382 [0,1,0,0,0,0|1,1,1]=4 1160 B12R1.121 N#CCSc1nccnc1CO 62a_100011215382_100000057004 [0,1,0,0,0,0|1,1,1]=4 1161 B12R1.121 N#Cc1ncccc1OCCF 34a_100000722750_100011217306 [0,1,0,0,0,0|2,0,1]=4 1162 B12R1.121 N#Cc1ncccc1OCCF 7a_100000722750_100011217306 [0,1,0,0,0,0|2,0,1]=4 1163 B12R1.121 N#Cc1ncccc1OCCO 34a_100000722750_100000211926 [0,1,0,0,0,0|2,0,1]=4 1164 B12R1.121 N#Cc1ncccc1OCCO 7a_100000722750_100000211926 [0,1,0,0,0,0|2,0,1]=4 1165 B12R1.121 N#Cc1nccnc1NCCO 27a_100000210304_100000040484 [0,1,0,0,0,0|2,0,1]=4 1166 B12R1.121 N#Cc1nccnc1SCCF 62a_100011217306_100000040484 [0,1,0,0,0,0|1,1,1]=4 1167 B12R1.121 N#Cc1nccnc1SCCO 62a_100000211926_100000040484 [0,1,0,0,0,0|1,1,1]=4 1168 B12R1.121 NCc1ccccc1OCCF 34a_100000185550_100011217306 [0,1,0,0,0,0|3,0,0]=4 1169 B12R1.121 NCc1ccccc1OCCO 34a_100000185550_100000211926 [0,1,0,0,0,0|3,0,0]=4 1170 B12R1.121 NCc1cccnc1SCCF 62a_100011217306_100015189234 [0,1,0,0,0,0|2,1,0]=4 1171 B12R1.121 NCc1cccnc1SCCF 62a_100015189234_100011217306 [0,1,0,0,0,0|2,1,0]=4 1172 B12R1.121 NCc1cccnc1SCCO 62a_100000211926_100015189234 [0,1,0,0,0,0|2,1,0]=4 1173 B12R1.121 NCc1cccnc1SCCO 62a_100015189234_100000211926 [0,1,0,0,0,0|2,1,0]=4 1174 B12R1.121 NCc1ncccc1SCCF 62a_100011217306_100020591323 [0,1,0,0,0,0|2,1,0]=4 1175 B12R1.121 NCc1ncccc1SCCF 62a_100020591323_100011217306 [0,1,0,0,0,0|2,1,0]=4 1176 B12R1.121 NCc1ncccc1SCCO 62a_100000211926_100020591323 [0,1,0,0,0,0|2,1,0]=4 1177 B12R1.121 NCc1ncccc1SCCO 62a_100020591323_100000211926 [0,1,0,0,0,0|2,1,0]=4 1178 B12R1.121 NCc1nccnc1SCC=O 62a_100000729963_200015260668 [0,1,0,0,0,0|1,1,1]=4 1179 B12R1.121 NCc1nccnc1SCC=O 62a_200015260668_100000729963 [0,1,0,0,0,0|1,1,1]=4 1180 B12R1.121 NCc1nccnc1SCCF 62a_100000729963_100011217306 [0,1,0,0,0,0|1,1,0]=3 1181 B12R1.121 NCc1nccnc1SCCF 62a_100011217306_100000729963 [0,1,0,0,0,0|1,1,0]=3 1182 B12R1.121 NCc1nccnc1SCCO 62a_100000211926_100000729963 [0,1,0,0,0,0|1,1,0]=3 1183 B12R1.121 NCc1nccnc1SCCO 62a_100000729963_100000211926 [0,1,0,0,0,0|1,1,0]=3 1184 B12R1.121 NNc1nccnc1SCCF 62a_100011217306_100000755098 [0,1,0,0,0,0|2,1,0]=4 1185 B12R1.121 NNc1nccnc1SCCO 62a_100000211926_100000755098 [0,1,0,0,0,0|2,1,0]=4 1186 B12R1.121 O=CCOc1cccnc1CBr 34a_200020655725_200009817547 [0,1,0,0,0,0|2,0,1]=4 1187 B12R1.121 O=CCOc1cccnc1CBr 7a_200020655725_200015260668 [0,1,0,0,0,0|2,0,1]=4 1188 B12R1.121 O=CCOc1cccnc1CO 34a_100000731849_200009817547 [0,1,0,0,0,0|2,0,1]=4 1189 B12R1.121 O=CCSc1nccnc1CO 62a_100000057004_200015260668 [0,1,0,0,0,0|1,1,1]=4 1190 B12R1.121 O=CCSc1nccnc1CO 62a_200015260668_100000057004 [0,1,0,0,0,0|1,1,1]=4 1191 B12R1.121 O=Cc1nccnc1SCCF 62a_100000051000_100011217306 [0,1,0,0,0,0|1,1,1]=4 1192 B12R1.121 O=Cc1nccnc1SCCF 62a_100011217306_100000051000 [0,1,0,0,0,0|1,1,1]=4 1193 B12R1.121 O=Cc1nccnc1SCCO 62a_100000051000_100000211926 [0,1,0,0,0,0|1,1,1]=4 1194 B12R1.121 O=Cc1nccnc1SCCO 62a_100000211926_100000051000 [0,1,0,0,0,0|1,1,1]=4 1195 B12R1.121 OCCOc1ccccc1CO 34a_100011216872_100000211926 [0,1,0,0,0,0|3,0,0]=4 1196 B12R1.121 OCCOc1cccnc1CBr 34a_200020655725_100000211926 [0,1,0,0,0,0|2,0,0]=3 1197 B12R1.121 OCCOc1cccnc1CBr 7a_200020655725_100000211926 [0,1,0,0,0,0|2,0,0]=3 1198 B12R1.121 OCCOc1cccnc1CO 34a_100000731849_100000211926 [0,1,0,0,0,0|2,0,0]=3 1199 B12R1.121 OCCSc1cccnc1CO 62a_100000211926_100011996772 [0,1,0,0,0,0|2,1,0]=4 1200 B12R1.121 OCCSc1cccnc1CO 62a_100011996772_100000211926 [0,1,0,0,0,0|2,1,0]=4 1201 B12R1.121 OCCSc1ncccc1CO 62a_100000211926_100000748726 [0,1,0,0,0,0|2,1,0]=4 1202 B12R1.121 OCCSc1ncccc1CO 62a_100000748726_100000211926 [0,1,0,0,0,0|2,1,0]=4 1203 B12R1.121 OCCSc1nccnc1CO 62a_100000057004_100000211926 [0,1,0,0,0,0|1,1,0]=3 1204 B12R1.121 OCCSc1nccnc1CO 62a_100000211926_100000057004 [0,1,0,0,0,0|1,1,0]=3 1205 B12R1.121 OCc1ccccc1OCCF 34a_100011216872_100011217306 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.121 OCc1cccnc1SCCF 62a_100000748726_100011217306 [0,1,0,0,0,0|2,1,0]=4 1207 B12R1.121 OCc1cccnc1SCCF 62a_100011217306_100000748726 [0,1,0,0,0,0|2,1,0]=4 1208 B12R1.121 OCc1ncccc1OCCF 34a_100000731849_100011217306 [0,1,0,0,0,0|2,0,0]=3 1209 B12R1.121 OCc1ncccc1SCCF 62a_100011217306_100011996772 [0,1,0,0,0,0|2,1,0]=4 1210 B12R1.121 OCc1ncccc1SCCF 62a_100011996772_100011217306 [0,1,0,0,0,0|2,1,0]=4 1211 B12R1.121 OCc1nccnc1SCCF 62a_100000057004_100011217306 [0,1,0,0,0,0|1,1,0]=3 1212 B12R1.121 OCc1nccnc1SCCF 62a_100011217306_100000057004 [0,1,0,0,0,0|1,1,0]=3 1213 B12R1.121 [13CH3]Nc1ccccc1OCCF 34a_100012000959_200025704644 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.121 [13CH3]Nc1ccccc1OCCO 34a_100132302172_200025704644 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_100000744007_200025704644 [0,1,0,0,0,0|3,0,0]=4 1218 B12R1.121 [13CH3]Sc1ccccc1OCCN 62a_200025704644_100000744007 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_100000230753_200025704644 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.121 [13CH3]Sc1ccccc1OCCO 62a_200025704644_100000230753 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.121 [13CH3]Sc1cccnc1NCCO 62a_200011464885_200025704644 [0,1,0,0,0,0|3,0,0]=4 1222 B12R1.121 [13CH3]Sc1cccnc1NCCO 62a_200025704644_200011464885 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_100012814765_200025704644 [0,1,0,0,0,0|2,0,0]=3 1224 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_200025704644_100012814765 [0,1,0,0,0,0|2,0,0]=3 1225 B12R1.121 [13CH3]Sc1nccnc1NCCO 62a_200011219046_200025704644 [0,1,0,0,0,0|2,0,0]=3 1226 B12R1.121 [13CH3]Sc1nccnc1NCCO 62a_200025704644_200011219046 [0,1,0,0,0,0|2,0,0]=3 1227 B12R1.169 C/C=C/c1ccccc1OCC 34a_200000189419_100000210202 [0,1,0,0,0,0|2,0,1]=4 1228 B12R1.169 C/C=C/c1ccccc1OCC 7a_200000189419_100000210202 [0,1,0,0,0,0|2,0,1]=4 1229 B12R1.169 C=C=Cc1cccnc1OCC 271570a_100015277604_100011465154 [0,1,0,0,0,0|1,0,2]=4 1230 B12R1.169 C=C=Cc1ncccc1OCC 271570a_100015277604_100011597540 [0,1,0,0,0,0|1,0,2]=4 1231 B12R1.169 C=C=Cc1nccnc1OCC 271570a_100015277604_200010128176 [0,1,0,0,0,0|0,0,2]=3 1232 B12R1.169 C=CCc1ccccc1OCC 34a_100000211836_100000210202 [0,1,0,0,0,0|2,0,1]=4 1233 B12R1.169 C=CCc1ccccc1OCC 7a_100000211836_100000210202 [0,1,0,0,0,0|2,0,1]=4 1234 B12R1.169 CC=Cc1ccccc1OCC 271570a_100016259895_100000230754 [0,1,0,0,0,0|2,0,1]=4 1235 B12R1.169 CC=Cc1cccnc1OCC 271570a_100016259895_100011465154 [0,1,0,0,0,0|1,0,1]=3 1236 B12R1.169 CC=Cc1ncccc1CNC 271570a_100016259895_103496529121 [0,1,0,0,0,0|2,0,1]=4 1237 B12R1.169 CC=Cc1ncccc1OCC 271570a_100016259895_100011597540 [0,1,0,0,0,0|1,0,1]=3 1238 B12R1.169 CC=Cc1nccnc1OCC 271570a_100016259895_200010128176 [0,1,0,0,0,0|0,0,1]=2 1239 B12R1.169 CCCc1ccccc1CNC 26a_100102657272_100011217252 [0,1,0,0,0,0|3,0,0]=4 1240 B12R1.169 CCCc1ccccc1NCC 2230a_100000737634_100000210202 [0,1,0,0,0,0|3,0,0]=4 1241 B12R1.169 CCCc1ccccc1NCC 34a_100000737634_100000210202 [0,1,0,0,0,0|3,0,0]=4 1242 B12R1.169 CCCc1ccccc1NCC 7a_100000737634_100000210202 [0,1,0,0,0,0|3,0,0]=4 1243 B12R1.169 CCCc1ccccc1OCC 34a_100011217252_100000210202 [0,1,0,0,0,0|2,0,0]=3 1244 B12R1.169 CCCc1ccccc1OCC 7a_100011217252_100000210202 [0,1,0,0,0,0|2,0,0]=3 1245 B12R1.169 CCCc1ccccc1OCF 34a_100011217252_100015361967 [0,1,0,0,0,0|3,0,0]=4 1246 B12R1.169 CCCc1ccccc1OCF 7a_100011217252_100015361967 [0,1,0,0,0,0|3,0,0]=4 1247 B12R1.169 CCCc1ncncc1NCC 27a_100015525214_100009816987 [0,1,0,0,0,0|3,0,0]=4 1248 B12R1.169 CCCc1ncncc1SCC 62a_100000210202_100009816987 [0,1,0,0,0,0|2,1,0]=4 1249 B12R1.169 CCCc1ncncc1SCC 62a_100009816987_100000210202 [0,1,0,0,0,0|2,1,0]=4 1250 B12R1.169 CCNc1ccccc1CCO 2230a_100011215289_100000210202 [0,1,0,0,0,0|3,0,0]=4 1251 B12R1.169 CCNc1ccccc1CCO 34a_100011215289_100000210202 [0,1,0,0,0,0|3,0,0]=4 1252 B12R1.169 CCNc1ccccc1OCC 34a_100000211218_100000210202 [0,1,0,0,0,0|2,0,0]=3 1253 B12R1.169 CCNc1ccccc1OCC 34a_103624766699_100000210202 [0,1,0,0,0,0|2,0,0]=3 1254 B12R1.169 CCNc1ccccc1OCC 7a_103624766699_100000210202 [0,1,0,0,0,0|2,0,0]=3 1255 B12R1.169 CCNc1ccccc1OCF 34a_103624766699_100015361967 [0,1,0,0,0,0|3,0,0]=4 1256 B12R1.169 CCNc1ccccc1OCF 7a_103624766699_100015361967 [0,1,0,0,0,0|3,0,0]=4 1257 B12R1.169 CCNc1ccccc1SCC 34a_100011223125_100000210202 [0,1,0,0,0,0|2,1,0]=4 1258 B12R1.169 CCNc1ccccc1SCC 62a_100000210202_114873767003 [0,1,0,0,0,0|2,1,0]=4 1259 B12R1.169 CCNc1ccccc1SCC 62a_114873767003_100000210202 [0,1,0,0,0,0|2,1,0]=4 1260 B12R1.169 CCNc1nccnc1OCC 27a_100015525214_200010128176 [0,1,0,0,0,0|0,0,0]=1 1261 B12R1.169 CCOc1ccccc1CC#N 34a_100000043107_100000210202 [0,1,0,0,0,0|2,0,1]=4 1262 B12R1.169 CCOc1ccccc1CC#N 7a_100000043107_100000210202 [0,1,0,0,0,0|2,0,1]=4 1263 B12R1.169 CCOc1ccccc1CCBr 34a_100000722297_100000210202 [0,1,0,0,0,0|2,0,0]=3 1264 B12R1.169 CCOc1ccccc1CCBr 7a_100000722297_100000210202 [0,1,0,0,0,0|2,0,0]=3 1265 B12R1.169 CCOc1ccccc1CCN 34a_100011207237_100000210202 [0,1,0,0,0,0|2,0,0]=3 1266 B12R1.169 CCOc1ccccc1CCO 34a_100000719421_100000210202 [0,1,0,0,0,0|2,0,0]=3 1267 B12R1.169 CCOc1ccccc1CCO 7a_100000719421_100000210202 [0,1,0,0,0,0|2,0,0]=3 1268 B12R1.169 CCOc1ccccc1CNC 207a_100102657272_100000169843 [0,1,0,0,0,0|2,0,0]=3 1269 B12R1.169 CCOc1ccccc1CNC 270004a_106832991635_100000169843 [0,1,0,0,0,0|2,0,0]=3 1270 B12R1.169 CCOc1ccccc1CNC 34a_100015189988_100000210202 [0,1,0,0,0,0|2,0,0]=3 1271 B12R1.169 CCOc1ccccc1COC 34a_100000708577_200000210301 [0,1,0,0,0,0|2,0,0]=3 1272 B12R1.169 CCOc1ccccc1COC 34a_100011488565_100000210202 [0,1,0,0,0,0|2,0,0]=3 1273 B12R1.169 CCOc1ccccc1COC 7a_100000708577_200000210301 [0,1,0,0,0,0|2,0,0]=3 1274 B12R1.169 CCOc1ccccc1COC 7a_100011488565_100000210202 [0,1,0,0,0,0|2,0,0]=3 1275 B12R1.169 CCOc1ccccc1CO[13CH3] 34a_100000708577_200025704644 [0,1,0,0,0,0|2,0,0]=3 1276 B12R1.169 CCOc1ccccc1CO[13CH3] 7a_100000708577_200025704644 [0,1,0,0,0,0|2,0,0]=3 1277 B12R1.169 CCOc1ccccc1NCF 34a_100000211218_100015361967 [0,1,0,0,0,0|3,0,0]=4 1278 B12R1.169 CCOc1ccccc1OCC 34a_100000211404_100000210202 [0,1,0,0,0,0|2,0,0]=3 1279 B12R1.169 CCOc1ccccc1OCC 7a_100000211404_100000210202 [0,1,0,0,0,0|2,0,0]=3 1280 B12R1.169 CCOc1ccccc1OCF 34a_100000211404_100015361967 [0,1,0,0,0,0|3,0,0]=4 1281 B12R1.169 CCOc1ccccc1OCF 7a_100000211404_100015361967 [0,1,0,0,0,0|3,0,0]=4 1282 B12R1.169 CCOc1ccccc1SCC 62a_100000210202_100000230754 [0,1,0,0,0,0|2,0,0]=3 1283 B12R1.169 CCOc1ccccc1SCC 62a_100000230754_100000210202 [0,1,0,0,0,0|2,0,0]=3 1284 B12R1.169 CCOc1ccccc1SCF 62a_100000230754_100015361967 [0,1,0,0,0,0|3,0,0]=4 1285 B12R1.169 CCOc1ccccc1SCF 62a_100015361967_100000230754 [0,1,0,0,0,0|3,0,0]=4 1286 B12R1.169 CCOc1cccnc1CNC 207a_100102657272_100009876934 [0,1,0,0,0,0|1,0,0]=2 1287 B12R1.169 CCOc1cccnc1CNC 270004a_106832991635_100009876934 [0,1,0,0,0,0|1,0,0]=2 1288 B12R1.169 CCOc1cccnc1OCC 34a_100011998697_100000210202 [0,1,0,0,0,0|1,0,0]=2 1289 B12R1.169 CCOc1cccnc1SCC 62a_100000210202_100011597540 [0,1,0,0,0,0|1,0,0]=2 1290 B12R1.169 CCOc1cccnc1SCC 62a_100011597540_100000210202 [0,1,0,0,0,0|1,0,0]=2 1291 B12R1.169 CCOc1cccnc1SCF 62a_100011597540_100015361967 [0,1,0,0,0,0|2,0,0]=3 1292 B12R1.169 CCOc1cccnc1SCF 62a_100015361967_100011597540 [0,1,0,0,0,0|2,0,0]=3 1293 B12R1.169 CCOc1ccncc1CNC 270004a_106832991635_200011935332 [0,1,0,0,0,0|3,0,0]=4 1294 B12R1.169 CCOc1ncccc1CNC 207a_100102657272_100011290805 [0,1,0,0,0,0|1,0,0]=2 1295 B12R1.169 CCOc1ncccc1CNC 270004a_106832991635_100011290805 [0,1,0,0,0,0|1,0,0]=2 1296 B12R1.169 CCOc1ncccc1OCF 34a_100011998697_100015361967 [0,1,0,0,0,0|2,0,0]=3 1297 B12R1.169 CCOc1ncccc1SCC 62a_100000210202_100011465154 [0,1,0,0,0,0|1,0,0]=2 1298 B12R1.169 CCOc1ncccc1SCC 62a_100011465154_100000210202 [0,1,0,0,0,0|1,0,0]=2 1299 B12R1.169 CCOc1ncccc1SCF 62a_100011465154_100015361967 [0,1,0,0,0,0|2,0,0]=3 1300 B12R1.169 CCOc1ncccc1SCF 62a_100015361967_100011465154 [0,1,0,0,0,0|2,0,0]=3 1301 B12R1.169 CCOc1nccnc1SCC 62a_100000210202_200010128176 [0,1,0,0,0,0|0,0,0]=1 1302 B12R1.169 CCOc1nccnc1SCC 62a_200010128176_100000210202 [0,1,0,0,0,0|0,0,0]=1 1303 B12R1.169 CCOc1nccnc1SCF 62a_100015361967_200010128176 [0,1,0,0,0,0|1,0,0]=2 1304 B12R1.169 CCOc1nccnc1SCF 62a_200010128176_100015361967 [0,1,0,0,0,0|1,0,0]=2 1305 B12R1.169 CCSc1ccccc1CCN 62a_100000210202_100000747383 [0,1,0,0,0,0|2,1,0]=4 1306 B12R1.169 CCSc1ccccc1CCN 62a_100000747383_100000210202 [0,1,0,0,0,0|2,1,0]=4 1307 B12R1.169 CCSc1ccccc1CCO 62a_100000210202_100000731337 [0,1,0,0,0,0|2,1,0]=4 1308 B12R1.169 CCSc1ccccc1CCO 62a_100000731337_100000210202 [0,1,0,0,0,0|2,1,0]=4 1309 B12R1.169 CCSc1ccccc1CNC 62a_100000184654_100000210202 [0,1,0,0,0,0|2,1,0]=4 1310 B12R1.169 CCSc1ccccc1CNC 62a_100000210202_100000184654 [0,1,0,0,0,0|2,1,0]=4 1311 B12R1.169 CCSc1ccccc1COC 62a_100000210202_100011493684 [0,1,0,0,0,0|2,1,0]=4 1312 B12R1.169 CCSc1ccccc1COC 62a_100011493684_100000210202 [0,1,0,0,0,0|2,1,0]=4 1313 B12R1.169 CCSc1ccccc1CSC 62a_100000148299_100000210202 [0,1,0,0,0,0|2,1,0]=4 1314 B12R1.169 CCSc1ccccc1CSC 62a_100000210202_100000148299 [0,1,0,0,0,0|2,1,0]=4 1315 B12R1.169 CCSc1ccccc1SCC 62a_100000210202_100000230856 [0,1,0,0,0,0|2,1,0]=4 1316 B12R1.169 CCSc1ccccc1SCC 62a_100000230856_100000210202 [0,1,0,0,0,0|2,1,0]=4 1317 B12R1.169 CCSc1cccnc1CC#N 62a_100000210202_100011824415 [0,1,0,0,0,0|1,1,1]=4 1318 B12R1.169 CCSc1cccnc1CC#N 62a_100011824415_100000210202 [0,1,0,0,0,0|1,1,1]=4 1319 B12R1.169 CCSc1ncccc1CC#N 62a_100000096391_100000210202 [0,1,0,0,0,0|1,1,1]=4 1320 B12R1.169 CCSc1ncccc1CC#N 62a_100000210202_100000096391 [0,1,0,0,0,0|1,1,1]=4 1321 B12R1.169 CCSc1ncccc1CNC 62a_100000210202_103496529121 [0,1,0,0,0,0|1,1,0]=3 1322 B12R1.169 CCSc1ncccc1CNC 62a_103496529121_100000210202 [0,1,0,0,0,0|1,1,0]=3 1323 B12R1.169 CNCc1ccccc1OCF 34a_100015189988_100015361967 [0,1,0,0,0,0|3,0,0]=4 1324 B12R1.169 CNCc1cccnc1SCF 62a_100015361967_103496529121 [0,1,0,0,0,0|2,1,0]=4 1325 B12R1.169 CNCc1cccnc1SCF 62a_103496529121_100015361967 [0,1,0,0,0,0|2,1,0]=4 1326 B12R1.169 COCc1ccccc1OCF 34a_100011488565_100015361967 [0,1,0,0,0,0|3,0,0]=4 1327 B12R1.169 COCc1ccccc1OCF 7a_100011488565_100015361967 [0,1,0,0,0,0|3,0,0]=4 1328 B12R1.169 FCOc1ccccc1CCBr 34a_100000722297_100015361967 [0,1,0,0,0,0|3,0,0]=4 1329 B12R1.169 FCOc1ccccc1CCBr 7a_100000722297_100015361967 [0,1,0,0,0,0|3,0,0]=4 1330 B12R1.169 NCCc1ccccc1OCF 34a_100011207237_100015361967 [0,1,0,0,0,0|3,0,0]=4 1331 B12R1.169 OCCc1ccccc1OCF 34a_100000719421_100015361967 [0,1,0,0,0,0|3,0,0]=4 1332 B12R1.169 OCCc1ccccc1OCF 7a_100000719421_100015361967 [0,1,0,0,0,0|3,0,0]=4 1333 B12R1.268 CC=Cc1cc(cnc1CC)N 271570a_100016259895_100013085292 [0,1,0,0,0,0|2,0,1]=4 1334 B12R1.268 CCNc1cc(ccc1CC)Br 2230a_100012354963_100000210202 [0,1,0,0,0,0|3,0,0]=4 1335 B12R1.268 CCNc1cc(ccc1CC)Br 34a_100012354963_100000210202 [0,1,0,0,0,0|3,0,0]=4 1336 B12R1.268 CCNc1cc(ccc1CC)Br 7a_100012354963_100000210202 [0,1,0,0,0,0|3,0,0]=4 1337 B12R1.268 CCNc1cc(ccc1CC)Cl 2230a_200012281948_100000210202 [0,1,0,0,0,0|3,0,0]=4 1338 B12R1.268 CCNc1cc(ccc1CC)Cl 34a_200012281948_100000210202 [0,1,0,0,0,0|3,0,0]=4 1339 B12R1.268 CCNc1cc(ccc1CC)Cl 7a_200012281948_100000210202 [0,1,0,0,0,0|3,0,0]=4 1340 B12R1.268 CCNc1nc(cnc1C#N)N 27a_100015525214_100000099870 [0,1,0,0,0,0|2,0,1]=4 1341 B12R1.268 CCNc1nc(ncc1CC)C 27a_100015525214_200000069817 [0,1,0,0,0,0|3,0,0]=4 1342 B12R1.268 CCOc1cc(ccc1CO)Br 34a_100000071718_100000210202 [0,1,0,0,0,0|3,0,0]=4 1343 B12R1.268 CCOc1cc(ccc1CO)Br 7a_100000071718_100000210202 [0,1,0,0,0,0|3,0,0]=4 1344 B12R1.268 CCOc1cc(ccc1NC)Br 2230a_100000688918_200000210301 [0,1,0,0,0,0|3,0,0]=4 1345 B12R1.268 CCOc1cc(ccc1NC)Br 34a_100000688918_200000210301 [0,1,0,0,0,0|3,0,0]=4 1346 B12R1.268 CCOc1cc(ccc1NC)C 2230a_100000742043_200000210301 [0,1,0,0,0,0|3,0,0]=4 1347 B12R1.268 CCOc1cc(ccc1NC)C 34a_100000742043_200000210301 [0,1,0,0,0,0|3,0,0]=4 1348 B12R1.268 CCOc1cc(ccc1NC)Cl 34a_100000687649_200000210301 [0,1,0,0,0,0|3,0,0]=4 1349 B12R1.268 CCOc1cc(ccc1NC)F 2230a_100000741351_200000210301 [0,1,0,0,0,0|3,0,0]=4 1350 B12R1.268 CCOc1cc(ccc1NC)F 34a_100000741351_200000210301 [0,1,0,0,0,0|3,0,0]=4 1351 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 2230a_100000688918_200025704644 [0,1,0,0,0,0|3,0,0]=4 1352 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 34a_100000688918_200025704644 [0,1,0,0,0,0|3,0,0]=4 1353 B12R1.268 CCOc1cc(ccc1N[13CH3])C 2230a_100000742043_200025704644 [0,1,0,0,0,0|3,0,0]=4 1354 B12R1.268 CCOc1cc(ccc1N[13CH3])C 34a_100000742043_200025704644 [0,1,0,0,0,0|3,0,0]=4 1355 B12R1.268 CCOc1cc(ccc1N[13CH3])Cl 34a_100000687649_200025704644 [0,1,0,0,0,0|3,0,0]=4 1356 B12R1.268 CCOc1cc(ccc1N[13CH3])F 2230a_100000741351_200025704644 [0,1,0,0,0,0|3,0,0]=4 1357 B12R1.268 CCOc1cc(ccc1N[13CH3])F 34a_100000741351_200025704644 [0,1,0,0,0,0|3,0,0]=4 1358 B12R1.268 CCOc1cc(ccc1OC)Br 34a_100009816560_100000210202 [0,1,0,0,0,0|3,0,0]=4 1359 B12R1.268 CCOc1cc(ccc1OC)Br 7a_100009816560_100000210202 [0,1,0,0,0,0|3,0,0]=4 1360 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [0,1,0,0,0,0|3,0,0]=4 1361 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [0,1,0,0,0,0|3,0,0]=4 1362 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [0,1,0,0,0,0|3,0,0]=4 1363 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [0,1,0,0,0,0|3,0,0]=4 1364 B12R1.268 CCOc1cc(ccc1OC)Cl 34a_100000101779_100000210202 [0,1,0,0,0,0|3,0,0]=4 1365 B12R1.268 CCOc1cc(ccc1OC)Cl 7a_100000101779_100000210202 [0,1,0,0,0,0|3,0,0]=4 1366 B12R1.268 CCOc1cc(ccc1OC)F 34a_100000034962_100000210202 [0,1,0,0,0,0|3,0,0]=4 1367 B12R1.268 CCOc1cc(ccc1OC)F 7a_100000034962_100000210202 [0,1,0,0,0,0|3,0,0]=4 1368 B12R1.268 CCOc1cc(ccc1OC)N 34a_100000211920_100000210202 [0,1,0,0,0,0|3,0,0]=4 1369 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [0,1,0,0,0,0|3,0,0]=4 1370 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [0,1,0,0,0,0|3,0,0]=4 1371 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [0,1,0,0,0,0|3,0,0]=4 1372 B12R1.268 CCOc1cc(ccc1SC)C 62a_200000210301_200010713166 [0,1,0,0,0,0|3,0,0]=4 1373 B12R1.268 CCOc1cc(ccc1SC)C 62a_200010713166_200000210301 [0,1,0,0,0,0|3,0,0]=4 1374 B12R1.268 CCOc1cc(ccc1SC)F 62a_200000210301_200012340411 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.268 CCOc1cc(ccc1SC)F 62a_200012340411_200000210301 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.268 CCOc1cc(ccc1SC)N 62a_200000210301_200016990551 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.268 CCOc1cc(ccc1SC)N 62a_200016990551_200000210301 [0,1,0,0,0,0|3,0,0]=4 1378 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200010713166_200025704644 [0,1,0,0,0,0|3,0,0]=4 1379 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200025704644_200010713166 [0,1,0,0,0,0|3,0,0]=4 1380 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200012340411_200025704644 [0,1,0,0,0,0|3,0,0]=4 1381 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012340411 [0,1,0,0,0,0|3,0,0]=4 1382 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200016990551_200025704644 [0,1,0,0,0,0|3,0,0]=4 1383 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200025704644_200016990551 [0,1,0,0,0,0|3,0,0]=4 1384 B12R1.268 CCOc1cc(cnc1C#N)Br 34a_200013853302_100000210202 [0,1,0,0,0,0|2,0,1]=4 1385 B12R1.268 CCOc1cc(cnc1C#N)Br 7a_200013853302_100000210202 [0,1,0,0,0,0|2,0,1]=4 1386 B12R1.268 CCOc1cc(cnc1OC)Br 34a_100010135713_100000210202 [0,1,0,0,0,0|2,0,0]=3 1387 B12R1.268 CCOc1nc(ncc1OC)O 271570a_203496583355_200010280453 [0,1,0,0,0,0|3,0,0]=4 1388 B12R1.268 CCSc1cc(cnc1CC)N 62a_100000210202_100013085292 [0,1,0,0,0,0|1,1,0]=3 1389 B12R1.268 CCSc1cc(cnc1CC)N 62a_100013085292_100000210202 [0,1,0,0,0,0|1,1,0]=3 1390 B12R1.268 CCSc1cc(cnc1OC)Br 62a_100000210202_100009814608 [0,1,0,0,0,0|2,1,0]=4 1391 B12R1.268 CCSc1cc(cnc1OC)Br 62a_100009814608_100000210202 [0,1,0,0,0,0|2,1,0]=4 1392 B12R1.268 CCSc1cc(cnc1OC)C 62a_100000210202_100012353929 [0,1,0,0,0,0|2,1,0]=4 1393 B12R1.268 CCSc1cc(cnc1OC)C 62a_100012353929_100000210202 [0,1,0,0,0,0|2,1,0]=4 1394 B12R1.268 CCSc1cc(cnc1OC)F 62a_100000210202_100009828472 [0,1,0,0,0,0|2,1,0]=4 1395 B12R1.268 CCSc1cc(cnc1OC)F 62a_100009828472_100000210202 [0,1,0,0,0,0|2,1,0]=4 1396 B12R1.268 CCSc1cc(cnc1OC)N 62a_100000210202_100012351452 [0,1,0,0,0,0|2,1,0]=4 1397 B12R1.268 CCSc1cc(cnc1OC)N 62a_100012351452_100000210202 [0,1,0,0,0,0|2,1,0]=4 1398 B12R1.268 CCSc1nc(ccc1CO)C 62a_100000210202_102495338573 [0,1,0,0,0,0|2,1,0]=4 1399 B12R1.268 CCSc1nc(ccc1CO)C 62a_102495338573_100000210202 [0,1,0,0,0,0|2,1,0]=4 1400 B12R1.268 CCSc1nc(ccc1OC)C 62a_100000210202_100009820875 [0,1,0,0,0,0|2,1,0]=4 1401 B12R1.268 CCSc1nc(ccc1OC)C 62a_100009820875_100000210202 [0,1,0,0,0,0|2,1,0]=4 1402 B12R1.268 CCSc1nc(ccc1OC)N 62a_100000210202_100010172607 [0,1,0,0,0,0|2,1,0]=4 1403 B12R1.268 CCSc1nc(ccc1OC)N 62a_100010172607_100000210202 [0,1,0,0,0,0|2,1,0]=4 1404 B12R1.268 CCSc1nc(cnc1C#N)N 62a_100000210202_100000099870 [0,1,0,0,0,0|1,1,1]=4 1405 B12R1.268 CCSc1nc(ncc1CC)C 62a_100000210202_200000069817 [0,1,0,0,0,0|2,1,0]=4 1406 B12R1.268 CCSc1nc(ncc1CC)C 62a_200000069817_100000210202 [0,1,0,0,0,0|2,1,0]=4 1407 B12R1.268 CCc1ncc(cc1SCF)N 62a_100013085292_100015361967 [0,1,0,0,0,0|2,1,0]=4 1408 B12R1.268 CCc1ncc(cc1SCF)N 62a_100015361967_100013085292 [0,1,0,0,0,0|2,1,0]=4 1409 B12R1.268 COc1ncc(cc1OCF)Br 34a_100010135713_100015361967 [0,1,0,0,0,0|3,0,0]=4 1410 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,1,0,0,0,0|2,0,1]=4 1411 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,1,0,0,0,0|1,0,1]=3 1412 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,1,0,0,0,0|1,0,1]=3 1413 B12R1.283 C=C(C)c1nccnc1OCC 271570a_100000694244_200010128176 [0,1,0,0,0,0|0,0,1]=2 1414 B12R1.283 CC(=O)c1ncccc1OCF 34a_100000087166_100015361967 [0,1,0,0,0,0|2,0,1]=4 1415 B12R1.283 CC(=O)c1ncccc1OCF 7a_100000087166_100015361967 [0,1,0,0,0,0|2,0,1]=4 1416 B12R1.283 CC(=O)c1nccnc1SCF 62a_100000099859_100015361967 [0,1,0,0,0,0|1,1,1]=4 1417 B12R1.283 CC(=O)c1nccnc1SCF 62a_100015361967_100000099859 [0,1,0,0,0,0|1,1,1]=4 1418 B12R1.283 CC(C)c1ccccc1OCF 34a_100000211617_100015361967 [0,1,0,0,0,0|3,0,0]=4 1419 B12R1.283 CC(C)c1ccccc1OCF 7a_100000211617_100015361967 [0,1,0,0,0,0|3,0,0]=4 1420 B12R1.283 CC(C)c1cccnc1CO[13CH3] 34a_200009878718_200025704644 [0,1,0,0,0,0|3,0,0]=4 1421 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200025704644_200134614246 [0,1,0,0,0,0|3,0,0]=4 1422 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200134614246_200025704644 [0,1,0,0,0,0|3,0,0]=4 1423 B12R1.283 CC(C)c1cccnc1SCF 62a_100015361967_200010382935 [0,1,0,0,0,0|2,1,0]=4 1424 B12R1.283 CC(C)c1cccnc1SCF 62a_200010382935_100015361967 [0,1,0,0,0,0|2,1,0]=4 1425 B12R1.283 CC(C)c1ncccc1OCF 34a_100012183336_100015361967 [0,1,0,0,0,0|2,0,0]=3 1426 B12R1.283 CC(C)c1ncccc1OCF 7a_100012183336_100015361967 [0,1,0,0,0,0|2,0,0]=3 1427 B12R1.283 CC(N)c1ncccc1SCF 62a_100015361967_100159271932 [0,1,0,0,0,0|2,1,0]=4 1428 B12R1.283 CC(N)c1ncccc1SCF 62a_100159271932_100015361967 [0,1,0,0,0,0|2,1,0]=4 1429 B12R1.283 CC(O)c1ccccc1OCF 34a_200011232679_100015361967 [0,1,0,0,0,0|3,0,0]=4 1430 B12R1.283 CC(O)c1ccccc1OCF 7a_200011232679_100015361967 [0,1,0,0,0,0|3,0,0]=4 1431 B12R1.283 CC(O)c1cccnc1SCF 62a_100009865335_100015361967 [0,1,0,0,0,0|2,1,0]=4 1432 B12R1.283 CC(O)c1cccnc1SCF 62a_100015361967_100009865335 [0,1,0,0,0,0|2,1,0]=4 1433 B12R1.283 CC=Cc1cccnc1C(C)N 271570a_100016259895_100159271932 [0,1,0,0,0,0|2,0,1]=4 1434 B12R1.283 CC=Cc1cccnc1[C@H](C)O 271570a_100016259895_100013325542 [0,1,0,0,0,0|2,0,1]=4 1435 B12R1.283 CC=Cc1ncccc1C(C)C 271570a_100016259895_200010382935 [0,1,0,0,0,0|2,0,1]=4 1436 B12R1.283 CC=Cc1ncccc1C(C)O 271570a_100016259895_100009865335 [0,1,0,0,0,0|2,0,1]=4 1437 B12R1.283 CC=Cc1nccnc1C(=O)C 271570a_100016259895_100000099859 [0,1,0,0,0,0|1,0,2]=4 1438 B12R1.283 CC=Cc1nccnc1N(C)C 271570a_100016259895_100000703087 [0,1,0,0,0,0|2,0,1]=4 1439 B12R1.283 CCNc1ccccc1C(C)C 2230a_100000210643_100000210202 [0,1,0,0,0,0|3,0,0]=4 1440 B12R1.283 CCNc1ccccc1C(C)C 34a_100000210643_100000210202 [0,1,0,0,0,0|3,0,0]=4 1441 B12R1.283 CCNc1ccccc1C(C)C 7a_100000210643_100000210202 [0,1,0,0,0,0|3,0,0]=4 1442 B12R1.283 CCNc1ccccc1C(C)O 2230a_100011405641_100000210202 [0,1,0,0,0,0|3,0,0]=4 1443 B12R1.283 CCNc1cncnc1C(C)C 27a_100015525214_100009816988 [0,1,0,0,0,0|3,0,0]=4 1444 B12R1.283 CCNc1ncccc1C(=O)C 27a_100015525214_100009816689 [0,1,0,0,0,0|2,0,1]=4 1445 B12R1.283 CCNc1nccnc1C(=O)C 27a_100015525214_100000099859 [0,1,0,0,0,0|1,0,1]=3 1446 B12R1.283 CCNc1nccnc1C(=O)N 27a_100015525214_100000094861 [0,1,0,0,0,0|2,0,1]=4 1447 B12R1.283 CCNc1nccnc1N(C)C 27a_100015525214_100000703087 [0,1,0,0,0,0|2,0,0]=3 1448 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,1,0,0,0,0|2,0,1]=4 1449 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,1,0,0,0,0|2,0,1]=4 1450 B12R1.283 CCOc1ccccc1C(C)C 34a_100000211617_100000210202 [0,1,0,0,0,0|2,0,0]=3 1451 B12R1.283 CCOc1ccccc1C(C)C 7a_100000211617_100000210202 [0,1,0,0,0,0|2,0,0]=3 1452 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [0,1,0,0,0,0|2,0,0]=3 1453 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [0,1,0,0,0,0|2,0,0]=3 1454 B12R1.283 CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210202 [0,1,0,0,0,0|2,0,0]=3 1455 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,1,0,0,0,0|1,0,1]=3 1456 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,1,0,0,0,0|1,0,1]=3 1457 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [0,1,0,0,0,0|2,0,1]=4 1458 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [0,1,0,0,0,0|2,0,1]=4 1459 B12R1.283 CCOc1cccnc1C(C)C 34a_100012183336_100000210202 [0,1,0,0,0,0|1,0,0]=2 1460 B12R1.283 CCOc1cccnc1C(C)C 7a_100012183336_100000210202 [0,1,0,0,0,0|1,0,0]=2 1461 B12R1.283 CCOc1cccnc1[N+](=O)[O-] 7a_100000183951_100000210202 [0,1,0,0,0,0|3,0,0]=4 1462 B12R1.283 CCOc1nccnc1C(=O)N 34a_100011830332_100000210202 [0,1,0,0,0,0|1,0,1]=3 1463 B12R1.283 CCOc1nccnc1N(C)C 27a_100102631434_200010128176 [0,1,0,0,0,0|1,0,0]=2 1464 B12R1.283 CCSc1ccccc1C(C)C 62a_100000210202_100000708600 [0,1,0,0,0,0|2,1,0]=4 1465 B12R1.283 CCSc1ccccc1C(C)C 62a_100000708600_100000210202 [0,1,0,0,0,0|2,1,0]=4 1466 B12R1.283 CCSc1ccccc1C(C)N 62a_100000181357_100000210202 [0,1,0,0,0,0|2,1,0]=4 1467 B12R1.283 CCSc1ccccc1C(C)N 62a_100000210202_100000181357 [0,1,0,0,0,0|2,1,0]=4 1468 B12R1.283 CCSc1ccccc1C(C)O 62a_100000210202_100000702211 [0,1,0,0,0,0|2,1,0]=4 1469 B12R1.283 CCSc1ccccc1C(C)O 62a_100000702211_100000210202 [0,1,0,0,0,0|2,1,0]=4 1470 B12R1.283 CCSc1cccnc1C(=O)C 62a_100000210202_100012348690 [0,1,0,0,0,0|1,1,1]=4 1471 B12R1.283 CCSc1cccnc1C(=O)C 62a_100012348690_100000210202 [0,1,0,0,0,0|1,1,1]=4 1472 B12R1.283 CCSc1cccnc1C(C)N 62a_100000210202_100159271932 [0,1,0,0,0,0|1,1,0]=3 1473 B12R1.283 CCSc1cccnc1C(C)N 62a_100159271932_100000210202 [0,1,0,0,0,0|1,1,0]=3 1474 B12R1.283 CCSc1cccnc1C(F)F 62a_100000210202_100010079810 [0,1,0,0,0,0|2,1,0]=4 1475 B12R1.283 CCSc1cccnc1C(F)F 62a_100010079810_100000210202 [0,1,0,0,0,0|2,1,0]=4 1476 B12R1.283 CCSc1cccnc1N(C)C 62a_100000210202_100011465059 [0,1,0,0,0,0|2,1,0]=4 1477 B12R1.283 CCSc1cccnc1N(C)C 62a_100011465059_100000210202 [0,1,0,0,0,0|2,1,0]=4 1478 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100000210202_100013325542 [0,1,0,0,0,0|1,1,0]=3 1479 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100013325542_100000210202 [0,1,0,0,0,0|1,1,0]=3 1480 B12R1.283 CCSc1cncnc1C(C)C 62a_100000210202_100009816988 [0,1,0,0,0,0|2,1,0]=4 1481 B12R1.283 CCSc1cncnc1C(C)C 62a_100009816988_100000210202 [0,1,0,0,0,0|2,1,0]=4 1482 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000210202_100000753718 [0,1,0,0,0,0|1,1,1]=4 1483 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000753718_100000210202 [0,1,0,0,0,0|1,1,1]=4 1484 B12R1.283 CCSc1ncccc1C(C)C 62a_100000210202_200010382935 [0,1,0,0,0,0|1,1,0]=3 1485 B12R1.283 CCSc1ncccc1C(C)C 62a_200010382935_100000210202 [0,1,0,0,0,0|1,1,0]=3 1486 B12R1.283 CCSc1ncccc1C(C)O 62a_100000210202_100009865335 [0,1,0,0,0,0|1,1,0]=3 1487 B12R1.283 CCSc1ncccc1C(C)O 62a_100009865335_100000210202 [0,1,0,0,0,0|1,1,0]=3 1488 B12R1.283 CCSc1ncccc1C(F)F 62a_100000210202_100010136063 [0,1,0,0,0,0|2,1,0]=4 1489 B12R1.283 CCSc1ncccc1C(F)F 62a_100010136063_100000210202 [0,1,0,0,0,0|2,1,0]=4 1490 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000099859_100000210202 [0,1,0,0,0,0|0,1,1]=3 1491 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000210202_100000099859 [0,1,0,0,0,0|0,1,1]=3 1492 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000094861_100000210202 [0,1,0,0,0,0|1,1,1]=4 1493 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000210202_100000094861 [0,1,0,0,0,0|1,1,1]=4 1494 B12R1.283 CCSc1nccnc1N(C)C 62a_100000210202_100000703087 [0,1,0,0,0,0|1,1,0]=3 1495 B12R1.283 CN(C)c1nccnc1SCF 62a_100015361967_100000703087 [0,1,0,0,0,0|2,1,0]=4 1496 B12R1.283 CNCc1ncccc1C(C)C 2230a_106832991635_200134614246 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.283 CNCc1ncccc1C(C)C 34a_100102657272_200134614246 [0,1,0,0,0,0|3,0,0]=4 1498 B12R1.283 CNCc1ncccc1C(C)C 7a_106832991635_200134614246 [0,1,0,0,0,0|3,0,0]=4 1499 B12R1.283 COCc1ncccc1C(C)C 34a_100138415774_200134614246 [0,1,0,0,0,0|3,0,0]=4 1500 B12R1.283 COCc1ncccc1C(C)C 34a_200009878718_200000210301 [0,1,0,0,0,0|3,0,0]=4 1501 B12R1.283 CSCc1ncccc1C(C)C 62a_200000210301_200134614246 [0,1,0,0,0,0|3,0,0]=4 1502 B12R1.283 CSCc1ncccc1C(C)C 62a_200134614246_200000210301 [0,1,0,0,0,0|3,0,0]=4 1503 B12R1.283 C[C@@H](N)c1ccccc1OCF 34a_100025703389_100015361967 [0,1,0,0,0,0|3,0,0]=4 1504 B12R1.283 C[C@H](O)c1ncccc1SCF 62a_100013325542_100015361967 [0,1,0,0,0,0|2,1,0]=4 1505 B12R1.283 C[C@H](O)c1ncccc1SCF 62a_100015361967_100013325542 [0,1,0,0,0,0|2,1,0]=4 1506 B12R1.283 NC(=O)c1nccnc1OCF 34a_100011830332_100015361967 [0,1,0,0,0,0|2,0,1]=4 1507 B12R1.542 CCOc1cccc(c1CO)C 34a_200009874777_100000210202 [0,1,0,0,0,0|3,0,0]=4 1508 B12R1.542 CCOc1cccc(c1CO)C 7a_200009874777_100000210202 [0,1,0,0,0,0|3,0,0]=4 1509 B12R1.542 CCOc1cccc(c1NC)Br 34a_200103155331_200000210301 [0,1,0,0,0,0|3,0,0]=4 1510 B12R1.542 CCOc1cccc(c1NC)Cl 34a_100012284057_200000210301 [0,1,0,0,0,0|3,0,0]=4 1511 B12R1.542 CCOc1cccc(c1N[13CH3])Br 34a_200103155331_200025704644 [0,1,0,0,0,0|3,0,0]=4 1512 B12R1.542 CCOc1cccc(c1N[13CH3])Cl 34a_100012284057_200025704644 [0,1,0,0,0,0|3,0,0]=4 1513 B12R1.542 CCOc1cccc(c1OC)Br 34a_100010234590_100000210202 [0,1,0,0,0,0|3,0,0]=4 1514 B12R1.542 CCOc1cccc(c1OC)Cl 34a_200009886253_100000210202 [0,1,0,0,0,0|3,0,0]=4 1515 B12R1.542 CCOc1cccc(c1OC)Cl 7a_200009886253_100000210202 [0,1,0,0,0,0|3,0,0]=4 1516 B12R1.542 CCOc1cccc(c1SC)C 34a_200000099257_100000210202 [0,1,0,0,0,0|3,0,0]=4 1517 B12R1.542 CCOc1cccc(c1SC)C 7a_200000099257_100000210202 [0,1,0,0,0,0|3,0,0]=4 1518 B12R1.542 CCSc1nccc(c1OC)N 62a_100000104429_100000210202 [0,1,0,0,0,0|2,1,0]=4 1519 B12R1.542 CCSc1nccc(c1OC)N 62a_100000210202_100000104429 [0,1,0,0,0,0|2,1,0]=4 1520 B12R1.542 CCSc1nccc(c1OC)O 62a_100000210202_100000104430 [0,1,0,0,0,0|2,1,0]=4 1521 B12R1.1112 CCNc1c(cccc1CC)C 2230a_100000210048_100000210202 [0,1,0,0,0,0|3,0,0]=4 1522 B12R1.1112 CCNc1c(cccc1CC)C 34a_100000210048_100000210202 [0,1,0,0,0,0|3,0,0]=4 1523 B12R1.1112 CCNc1c(cccc1CC)C 7a_100000210048_100000210202 [0,1,0,0,0,0|3,0,0]=4 1524 B12R1.1112 CCOc1c(cccc1CC)Br 34a_200010001580_100000210202 [0,1,0,0,0,0|2,0,0]=3 1525 B12R1.1112 CCOc1c(cccc1CC)Br 7a_200010001580_100000210202 [0,1,0,0,0,0|2,0,0]=3 1526 B12R1.1112 CCOc1c(cccc1CC)C 34a_100000034007_100000210202 [0,1,0,0,0,0|2,0,0]=3 1527 B12R1.1112 CCOc1c(cccc1CC)C 7a_100000034007_100000210202 [0,1,0,0,0,0|2,0,0]=3 1528 B12R1.1112 CCOc1c(cccc1CN)C 34a_100020639391_100000210202 [0,1,0,0,0,0|3,0,0]=4 1529 B12R1.1112 CCOc1c(cccc1CO)F 34a_100011997349_100000210202 [0,1,0,0,0,0|3,0,0]=4 1530 B12R1.1112 CCOc1c(cccc1CO)F 7a_100011997349_100000210202 [0,1,0,0,0,0|3,0,0]=4 1531 B12R1.1112 CCOc1c(cccc1NC)Cl 2230a_100000744310_200000210301 [0,1,0,0,0,0|3,0,0]=4 1532 B12R1.1112 CCOc1c(cccc1NC)Cl 34a_100000744310_200000210301 [0,1,0,0,0,0|3,0,0]=4 1533 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 2230a_100000744310_200025704644 [0,1,0,0,0,0|3,0,0]=4 1534 B12R1.1112 CCOc1c(cccc1N[13CH3])Cl 34a_100000744310_200025704644 [0,1,0,0,0,0|3,0,0]=4 1535 B12R1.1112 CCOc1c(cccc1OC)Br 34a_100000686866_100000210202 [0,1,0,0,0,0|3,0,0]=4 1536 B12R1.1112 CCOc1c(cccc1OC)C 34a_100011219253_100000210202 [0,1,0,0,0,0|3,0,0]=4 1537 B12R1.1112 CCOc1c(cccc1OC)C 7a_100011219253_100000210202 [0,1,0,0,0,0|3,0,0]=4 1538 B12R1.1112 CCOc1c(cccc1OC)Cl 34a_100009851661_100000210202 [0,1,0,0,0,0|3,0,0]=4 1539 B12R1.1112 CCOc1c(cccc1OC)Cl 7a_100009851661_100000210202 [0,1,0,0,0,0|3,0,0]=4 1540 B12R1.1112 CCOc1c(cccc1OC)F 34a_100000036725_100000210202 [0,1,0,0,0,0|3,0,0]=4 1541 B12R1.1112 CCOc1c(cccc1OC)F 7a_100000036725_100000210202 [0,1,0,0,0,0|3,0,0]=4 1542 B12R1.1112 CCOc1c(cccc1OC)N 34a_100000123586_100000210202 [0,1,0,0,0,0|3,0,0]=4 1543 B12R1.1112 CCOc1c(cccc1SC)F 62a_100010232518_200000210301 [0,1,0,0,0,0|3,0,0]=4 1544 B12R1.1112 CCOc1c(cccc1SC)F 62a_200000210301_100010232518 [0,1,0,0,0,0|3,0,0]=4 1545 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_100010232518_200025704644 [0,1,0,0,0,0|3,0,0]=4 1546 B12R1.1112 CCOc1c(cccc1S[13CH3])F 62a_200025704644_100010232518 [0,1,0,0,0,0|3,0,0]=4 1547 B12R1.1112 CCOc1c(occc1=O)CC 34a_100000033269_100000210202 [0,1,0,0,0,0|2,0,0]=3 1548 B12R1.1112 CCSc1c(cccc1CC)C 62a_100000036235_100000210202 [0,1,0,0,0,0|2,1,0]=4 1549 B12R1.1112 CCSc1c(cccc1CC)C 62a_100000210202_100000036235 [0,1,0,0,0,0|2,1,0]=4 1550 B12R1.1112 CCSc1c(ccnc1OC)C 62a_100000210202_100012353928 [0,1,0,0,0,0|2,1,0]=4 1551 B12R1.1112 CCSc1c(ccnc1OC)C 62a_100012353928_100000210202 [0,1,0,0,0,0|2,1,0]=4 1552 B12R1.1112 CCSc1c(ccnc1OC)N 62a_100000210202_100010243811 [0,1,0,0,0,0|2,1,0]=4 1553 B12R1.1112 CCSc1c(ccnc1OC)N 62a_100010243811_100000210202 [0,1,0,0,0,0|2,1,0]=4 1554 B12R1.1112 CCc1cccc(c1OCF)Br 34a_200010001580_100015361967 [0,1,0,0,0,0|3,0,0]=4 1555 B12R1.1112 CCc1cccc(c1OCF)Br 7a_200010001580_100015361967 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.1112 CCc1cccc(c1OCF)C 34a_100000034007_100015361967 [0,1,0,0,0,0|3,0,0]=4 1557 B12R1.1112 CCc1cccc(c1OCF)C 7a_100000034007_100015361967 [0,1,0,0,0,0|3,0,0]=4 1558 B12R1.1112 CCc1occc(=O)c1OCF 34a_100000033269_100015361967 [0,1,0,0,0,0|3,0,0]=4 1559 B10R0.71 CCC=CC=CC=NNCC 4a_100000756455_100103038579 [0,0,1,0,0,0|3,0,0]=4 1560 B12R2.24 CN1CCc2cccnc2C1 2230a_100015206102_200000210301 [0,0,0,1,0,0|3,0,0]=4 1561 B12R2.24 CN1CCc2cccnc2C1 269982a_100015206102_200000210301 [0,0,0,1,0,0|3,0,0]=4 1562 B12R2.24 CN1CCc2ncccc2C1 2230a_100000699647_200000210301 [0,0,0,1,0,0|3,0,0]=4 1563 B12R2.24 CN1CCc2ncccc2C1 269982a_100000699647_200000210301 [0,0,0,1,0,0|3,0,0]=4 1564 B12R2.24 [13CH3]N1CCc2cccnc2C1 2230a_100015206102_200025704644 [0,0,0,1,0,0|3,0,0]=4 1565 B12R2.24 [13CH3]N1CCc2cccnc2C1 269982a_100015206102_200025704644 [0,0,0,1,0,0|3,0,0]=4 1566 B12R2.24 [13CH3]N1CCc2ncccc2C1 2230a_100000699647_200025704644 [0,0,0,1,0,0|3,0,0]=4 1567 B12R2.24 [13CH3]N1CCc2ncccc2C1 269982a_100000699647_200025704644 [0,0,0,1,0,0|3,0,0]=4 1568 B12R2.315 CNc1cccc2c1OCC2 2230a_100000102157_200000210301 [0,0,0,1,0,0|3,0,0]=4 1569 B12R2.315 CNc1cccc2c1OCC2 34a_100000102157_200000210301 [0,0,0,1,0,0|3,0,0]=4 1570 B12R2.315 CSc1cccc2c1OCC2 62a_100009818991_200000210301 [0,0,0,1,0,0|3,0,0]=4 1571 B12R2.315 CSc1cccc2c1OCC2 62a_200000210301_100009818991 [0,0,0,1,0,0|3,0,0]=4 1572 B12R2.315 [13CH3]Nc1cccc2c1OCC2 2230a_100000102157_200025704644 [0,0,0,1,0,0|3,0,0]=4 1573 B12R2.315 [13CH3]Nc1cccc2c1OCC2 34a_100000102157_200025704644 [0,0,0,1,0,0|3,0,0]=4 1574 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_100009818991_200025704644 [0,0,0,1,0,0|3,0,0]=4 1575 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_200025704644_100009818991 [0,0,0,1,0,0|3,0,0]=4 1576 B12R2.2048 CCc1ccccc1C2CC2 271570a_100011220607_100011215823 [0,0,0,1,0,0|3,0,0]=4 1577 B12R2.2048 CCc1cncnc1C2CC2 271570a_100011220607_200000100055 [0,0,0,1,0,0|3,0,0]=4 1578 B12R2.2048 CCc1ncccc1C2CC2 271570a_100011220607_100009877225 [0,0,0,1,0,0|2,0,0]=3 1579 B12R2.2048 CCc1nccnc1C2CC2 271570a_100011220607_100011995844 [0,0,0,1,0,0|1,0,0]=2 1580 B12R2.2048 CCc1ncncc1C2CC2 271570a_100011220607_100009816992 [0,0,0,1,0,0|3,0,0]=4 1581 B12R2.2048 CNc1cccnc1C2CC2 271570a_100011220607_200011806188 [0,0,0,1,0,0|3,0,0]=4 1582 B12R2.2048 CNc1ncccc1C2CC2 271570a_100011220607_100000700899 [0,0,0,1,0,0|3,0,0]=4 1583 B12R2.2048 CNc1nccnc1C2CC2 271570a_100011220607_100011529439 [0,0,0,1,0,0|2,0,0]=3 1584 B12R2.2048 COc1cccnc1C2CC2 271570a_100011220607_100000690851 [0,0,0,1,0,0|3,0,0]=4 1585 B12R2.2048 COc1ncccc1C2CC2 271570a_100011220607_100000047025 [0,0,0,1,0,0|3,0,0]=4 1586 B12R2.2048 COc1nccnc1C2CC2 271570a_100011220607_100000749998 [0,0,0,1,0,0|2,0,0]=3 1587 B12R2.2048 CSc1ncccc1C2CC2 271570a_100011220607_100011465278 [0,0,0,1,0,0|3,0,0]=4 1588 B12R2.2048 CSc1ncccc1C2CC2 62a_200000210301_100009851976 [0,0,0,1,0,0|3,0,0]=4 1589 B12R2.2048 CSc1ncccc1C2CC2 62a_200009850273_200000210301 [0,0,0,1,0,0|3,0,0]=4 1590 B12R2.2048 N#Cc1nccnc1C2CC2 271570a_100011220607_100000040484 [0,0,0,1,0,0|2,0,1]=4 1591 B12R2.2048 NCc1cccnc1C2CC2 271570a_100011220607_100015189234 [0,0,0,1,0,0|3,0,0]=4 1592 B12R2.2048 NCc1ncccc1C2CC2 271570a_100011220607_100020591323 [0,0,0,1,0,0|3,0,0]=4 1593 B12R2.2048 NCc1nccnc1C2CC2 271570a_100011220607_100000729963 [0,0,0,1,0,0|2,0,0]=3 1594 B12R2.2048 NNc1nccnc1C2CC2 271570a_100011220607_100000755098 [0,0,0,1,0,0|3,0,0]=4 1595 B12R2.2048 OCc1cccnc1C2CC2 271570a_100011220607_100000748726 [0,0,0,1,0,0|3,0,0]=4 1596 B12R2.2048 OCc1ncccc1C2CC2 271570a_100011220607_100011996772 [0,0,0,1,0,0|3,0,0]=4 1597 B12R2.2048 OCc1nccnc1C2CC2 271570a_100011220607_100000057004 [0,0,0,1,0,0|2,0,0]=3 1598 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200009850273_200025704644 [0,0,0,1,0,0|3,0,0]=4 1599 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200025704644_100009851976 [0,0,0,1,0,0|3,0,0]=4 1600 B10R1.5 CC=Cc1ccnn1CC 271570a_100016259895_100000728327 [0,0,0,0,1,0|2,0,1]=4 1601 B10R1.5 CC=Cc1nccn1CC 271570a_100016259895_100011617267 [0,0,0,0,1,0|2,0,1]=4 1602 B10R1.5 CC=Cc1ncnn1CC 271570a_100016259895_100009879425 [0,0,0,0,1,0|2,0,1]=4 1603 B10R1.5 CC=Cc1sccc1CC 271570a_100016259895_200009875468 [0,0,0,0,1,0|2,0,1]=4 1604 B10R1.5 CCNc1ncnn1CC 27a_100015525214_100009879425 [0,0,0,0,1,0|2,0,0]=3 1605 B10R1.5 CCOc1ccnn1CC 34a_100012181048_100000210202 [0,0,0,0,1,0|1,0,0]=2 1606 B10R1.5 CCSc1c[nH]nc1OC 62a_100000210202_100010982843 [0,0,0,0,1,0|2,1,0]=4 1607 B10R1.5 CCSc1ccnn1CC 62a_100000210202_100000728327 [0,0,0,0,1,0|1,1,0]=3 1608 B10R1.5 CCSc1ccnn1CC 62a_100000728327_100000210202 [0,0,0,0,1,0|1,1,0]=3 1609 B10R1.5 CCSc1ccsc1CO 62a_100000210202_100000702026 [0,0,0,0,1,0|2,1,0]=4 1610 B10R1.5 CCSc1ccsc1CO 62a_100000702026_100000210202 [0,0,0,0,1,0|2,1,0]=4 1611 B10R1.5 CCSc1ccsc1SC 62a_100000210202_200010341309 [0,0,0,0,1,0|2,1,0]=4 1612 B10R1.5 CCSc1ccsc1SC 62a_200010341309_100000210202 [0,0,0,0,1,0|2,1,0]=4 1613 B10R1.5 CCSc1cscc1CC 62a_100000210202_100011068457 [0,0,0,0,1,0|2,1,0]=4 1614 B10R1.5 CCSc1cscc1CC 62a_100011068457_100000210202 [0,0,0,0,1,0|2,1,0]=4 1615 B10R1.5 CCSc1nccn1CC 62a_100000210202_100011617267 [0,0,0,0,1,0|1,1,0]=3 1616 B10R1.5 CCSc1nccn1CC 62a_100011617267_100000210202 [0,0,0,0,1,0|1,1,0]=3 1617 B10R1.5 CCSc1ncnn1CC 62a_100000210202_100009879425 [0,0,0,0,1,0|1,1,0]=3 1618 B10R1.5 CCSc1ncnn1CC 62a_100009879425_100000210202 [0,0,0,0,1,0|1,1,0]=3 1619 B10R1.5 CCSc1ncsc1CO 62a_100000210202_100012000948 [0,0,0,0,1,0|2,1,0]=4 1620 B10R1.5 CCSc1ncsc1CO 62a_100012000948_100000210202 [0,0,0,0,1,0|2,1,0]=4 1621 B10R1.5 CCSc1sccc1CC 62a_100000210202_200009875468 [0,0,0,0,1,0|1,1,0]=3 1622 B10R1.5 CCSc1sccc1CC 62a_200009875468_100000210202 [0,0,0,0,1,0|1,1,0]=3 1623 B10R1.5 CCSc1sccc1CN 62a_100000210202_100000727803 [0,0,0,0,1,0|2,1,0]=4 1624 B10R1.5 CCSc1sccc1CN 62a_100000727803_100000210202 [0,0,0,0,1,0|2,1,0]=4 1625 B10R1.5 CCSc1sccc1CO 62a_100000210202_100009816922 [0,0,0,0,1,0|2,1,0]=4 1626 B10R1.5 CCSc1sccc1CO 62a_100009816922_100000210202 [0,0,0,0,1,0|2,1,0]=4 1627 B10R1.5 CCc1ccsc1SCF 62a_100015361967_200009875468 [0,0,0,0,1,0|2,1,0]=4 1628 B10R1.5 CCc1ccsc1SCF 62a_200009875468_100015361967 [0,0,0,0,1,0|2,1,0]=4 1629 B10R1.5 CCn1ccnc1CNC 207a_100102657272_100000748659 [0,0,0,0,1,0|3,0,0]=4 1630 B10R1.5 CCn1ccnc1CNC 270004a_106832991635_100000748659 [0,0,0,0,1,0|3,0,0]=4 1631 B10R1.5 CCn1ccnc1COC 7a_100000740674_200000210301 [0,0,0,0,1,0|3,0,0]=4 1632 B10R1.5 CCn1ccnc1CO[13CH3] 7a_100000740674_200025704644 [0,0,0,0,1,0|3,0,0]=4 1633 B10R1.5 CCn1ccnc1SCF 62a_100011617267_100015361967 [0,0,0,0,1,0|2,1,0]=4 1634 B10R1.5 CCn1ccnc1SCF 62a_100015361967_100011617267 [0,0,0,0,1,0|2,1,0]=4 1635 B10R1.5 CCn1nccc1CNC 207a_100102657272_100000763647 [0,0,0,0,1,0|3,0,0]=4 1636 B10R1.5 CCn1nccc1CNC 2230a_106832991635_100025719316 [0,0,0,0,1,0|3,0,0]=4 1637 B10R1.5 CCn1nccc1CNC 270004a_106832991635_100000763647 [0,0,0,0,1,0|3,0,0]=4 1638 B10R1.5 CCn1nccc1CNC 34a_100102657272_100025719316 [0,0,0,0,1,0|3,0,0]=4 1639 B10R1.5 CCn1nccc1CNC 7a_106832991635_100025719316 [0,0,0,0,1,0|3,0,0]=4 1640 B10R1.5 CCn1nccc1COC 34a_100011962870_200000210301 [0,0,0,0,1,0|3,0,0]=4 1641 B10R1.5 CCn1nccc1COC 34a_100138415774_100025719316 [0,0,0,0,1,0|3,0,0]=4 1642 B10R1.5 CCn1nccc1CO[13CH3] 34a_100011962870_200025704644 [0,0,0,0,1,0|3,0,0]=4 1643 B10R1.5 CCn1nccc1CSC 62a_100025719316_200000210301 [0,0,0,0,1,0|3,0,0]=4 1644 B10R1.5 CCn1nccc1CSC 62a_200000210301_100025719316 [0,0,0,0,1,0|3,0,0]=4 1645 B10R1.5 CCn1nccc1CS[13CH3] 62a_100025719316_200025704644 [0,0,0,0,1,0|3,0,0]=4 1646 B10R1.5 CCn1nccc1CS[13CH3] 62a_200025704644_100025719316 [0,0,0,0,1,0|3,0,0]=4 1647 B10R1.5 CCn1nccc1OCF 34a_100012181048_100015361967 [0,0,0,0,1,0|2,0,0]=3 1648 B10R1.5 CCn1nccc1SCF 62a_100000728327_100015361967 [0,0,0,0,1,0|2,1,0]=4 1649 B10R1.5 CCn1nccc1SCF 62a_100015361967_100000728327 [0,0,0,0,1,0|2,1,0]=4 1650 B10R1.5 CCn1ncnc1CNC 207a_100102657272_100011935331 [0,0,0,0,1,0|3,0,0]=4 1651 B10R1.5 CCn1ncnc1CNC 270004a_106832991635_100011935331 [0,0,0,0,1,0|3,0,0]=4 1652 B10R1.5 CCn1ncnc1COC 7a_100000728737_200000210301 [0,0,0,0,1,0|3,0,0]=4 1653 B10R1.5 CCn1ncnc1CO[13CH3] 7a_100000728737_200025704644 [0,0,0,0,1,0|3,0,0]=4 1654 B10R1.5 CCn1ncnc1SCF 62a_100009879425_100015361967 [0,0,0,0,1,0|2,1,0]=4 1655 B10R1.5 CCn1ncnc1SCF 62a_100015361967_100009879425 [0,0,0,0,1,0|2,1,0]=4 1656 B9R0.45 CCC=CC=NNCCC 4a_100000740057_100011216943 [1,0,1,0,0,0|2,0,0]=4 1657 B9R0.45 CCCC=CC=NNCC 4a_100000756455_100016266791 [1,0,1,0,0,0|2,0,0]=4 1658 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [2,0,0,0,0,0|1,0,1]=4 1659 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [2,0,0,0,0,0|1,0,0]=3 1660 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|2,0,0]=4 1661 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|2,0,0]=4 1662 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|1,0,0]=3 1663 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|1,0,0]=3 1664 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [2,0,0,0,0,0|2,0,0]=4 1665 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [2,0,0,0,0,0|2,0,0]=4 1666 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|1,1,0]=4 1667 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|1,1,0]=4 1668 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|1,1,0]=4 1669 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|1,1,0]=4 1670 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [2,0,0,0,0,0|0,1,0]=3 1671 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [2,0,0,0,0,0|0,1,0]=3 1672 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [2,0,0,0,0,0|2,0,0]=4 1673 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [2,0,0,0,0,0|2,0,0]=4 1674 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [2,0,0,0,0,0|2,0,0]=4 1675 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [2,0,0,0,0,0|2,0,0]=4 1676 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [2,0,0,0,0,0|2,0,0]=4 1677 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [2,0,0,0,0,0|2,0,0]=4 1678 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [2,0,0,0,0,0|2,0,0]=4 1679 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [2,0,0,0,0,0|2,0,0]=4 1680 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [2,0,0,0,0,0|2,0,0]=4 1681 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [2,0,0,0,0,0|1,1,0]=4 1682 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [2,0,0,0,0,0|1,1,0]=4 1683 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [2,0,0,0,0,0|2,0,0]=4 1684 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [2,0,0,0,0,0|2,0,0]=4 1685 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [2,0,0,0,0,0|0,0,2]=4 1686 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|2,0,0]=4 1687 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [2,0,0,0,0,0|2,0,0]=4 1688 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|1,0,0]=3 1689 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [2,0,0,0,0,0|0,0,0]=2 1690 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [2,0,0,0,0,0|2,0,0]=4 1691 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [2,0,0,0,0,0|2,0,0]=4 1692 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [2,0,0,0,0,0|2,0,0]=4 1693 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [2,0,0,0,0,0|1,0,0]=3 1694 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [2,0,0,0,0,0|2,0,0]=4 1695 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [2,0,0,0,0,0|1,0,0]=3 1696 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,0,0,0,0,0|2,0,0]=4 1697 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,0,0,0,0,0|2,0,0]=4 1698 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 1699 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 1700 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [2,0,0,0,0,0|1,0,0]=3 1701 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [2,0,0,0,0,0|1,0,0]=3 1702 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 1703 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 1704 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 1705 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 1706 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 1707 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 1708 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [2,0,0,0,0,0|2,0,0]=4 1709 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [2,0,0,0,0,0|2,0,0]=4 1710 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [2,0,0,0,0,0|2,0,0]=4 1711 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [2,0,0,0,0,0|2,0,0]=4 1712 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [2,0,0,0,0,0|2,0,0]=4 1713 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [2,0,0,0,0,0|2,0,0]=4 1714 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [2,0,0,0,0,0|2,0,0]=4 1715 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [2,0,0,0,0,0|0,0,0]=2 1716 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [2,0,0,0,0,0|1,0,0]=3 1717 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [2,0,0,0,0,0|1,1,0]=4 1718 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [2,0,0,0,0,0|1,1,0]=4 1719 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [2,0,0,0,0,0|2,0,0]=4 1720 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [2,0,0,0,0,0|2,0,0]=4 1721 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [2,0,0,0,0,0|1,1,0]=4 1722 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [2,0,0,0,0,0|1,1,0]=4 1723 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [2,0,0,0,0,0|2,0,0]=4 1724 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 1725 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [2,0,0,0,0,0|2,0,0]=4 1726 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [2,0,0,0,0,0|0,1,0]=3 1727 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [2,0,0,0,0,0|0,1,0]=3 1728 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [2,0,0,0,0,0|1,1,0]=4 1729 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [2,0,0,0,0,0|1,1,0]=4 1730 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [2,0,0,0,0,0|1,1,0]=4 1731 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [2,0,0,0,0,0|1,1,0]=4 1732 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [2,0,0,0,0,0|1,1,0]=4 1733 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [2,0,0,0,0,0|1,1,0]=4 1734 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,0,0,0,0,0|2,0,0]=4 1735 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,0,0,0,0,0|2,0,0]=4 1736 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [2,0,0,0,0,0|1,1,0]=4 1737 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [2,0,0,0,0,0|1,1,0]=4 1738 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [2,0,0,0,0,0|1,0,0]=3 1739 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [2,0,0,0,0,0|1,0,0]=3 1740 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [2,0,0,0,0,0|1,1,0]=4 1741 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [2,0,0,0,0,0|1,1,0]=4 1742 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [2,0,0,0,0,0|0,0,0]=2 1743 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [2,0,0,0,0,0|0,1,0]=3 1744 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [2,0,0,0,0,0|0,1,0]=3 1745 B9R1.15 N#Cc1nccnc1O 271570a_203496583355_100000040484 [2,0,0,0,0,0|1,0,1]=4 1746 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [2,0,0,0,0,0|2,0,0]=4 1747 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [2,0,0,0,0,0|2,0,0]=4 1748 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [2,0,0,0,0,0|1,0,0]=3 1749 B9R1.15 NNc1nccnc1O 271570a_203496583355_100000755098 [2,0,0,0,0,0|2,0,0]=4 1750 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [2,0,0,0,0,0|2,0,0]=4 1751 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [2,0,0,0,0,0|2,0,0]=4 1752 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [2,0,0,0,0,0|1,0,0]=3 1753 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 1754 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 1755 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 1756 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 1757 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 1758 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 1759 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 1760 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 1761 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [2,0,0,0,0,0|2,0,0]=4 1762 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [2,0,0,0,0,0|2,0,0]=4 1763 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [2,0,0,0,0,0|2,0,0]=4 1764 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [2,0,0,0,0,0|2,0,0]=4 1765 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [2,0,0,0,0,0|2,0,0]=4 1766 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [2,0,0,0,0,0|2,0,0]=4 1767 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [2,0,0,0,0,0|2,0,0]=4 1768 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 1769 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [2,0,0,0,0,0|2,0,0]=4 1770 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [2,0,0,0,0,0|1,1,0]=4 1771 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [2,0,0,0,0,0|1,1,0]=4 1772 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [2,0,0,0,0,0|1,1,0]=4 1773 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [2,0,0,0,0,0|1,1,0]=4 1774 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [2,0,0,0,0,0|1,1,0]=4 1775 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [2,0,0,0,0,0|1,1,0]=4 1776 B11R0.4 CCNN=CC=CC(=O)OCC 4a_100000756455_100016289910 [0,1,1,0,0,0|2,0,0]=4 1777 B11R1.13 CCNc1nccc(c1C)F 27a_100015525214_100009846374 [1,1,0,0,0,0|2,0,0]=4 1778 B11R1.13 CCOc1cccc(c1C)Br 34a_100012002258_100000210202 [1,1,0,0,0,0|2,0,0]=4 1779 B11R1.13 CCOc1cccc(c1C)Br 7a_100012002258_100000210202 [1,1,0,0,0,0|2,0,0]=4 1780 B11R1.13 CCOc1cccc(c1C)C 34a_100000185855_100000210202 [1,1,0,0,0,0|2,0,0]=4 1781 B11R1.13 CCOc1cccc(c1C)C 7a_100000185855_100000210202 [1,1,0,0,0,0|2,0,0]=4 1782 B11R1.13 CCOc1cccc(c1C)Cl 34a_100011265684_100000210202 [1,1,0,0,0,0|2,0,0]=4 1783 B11R1.13 CCOc1cccc(c1C)Cl 7a_100011265684_100000210202 [1,1,0,0,0,0|2,0,0]=4 1784 B11R1.13 CCOc1cccc(c1C)F 34a_100011217231_100000210202 [1,1,0,0,0,0|2,0,0]=4 1785 B11R1.13 CCOc1cccc(c1C)F 7a_100011217231_100000210202 [1,1,0,0,0,0|2,0,0]=4 1786 B11R1.13 CCOc1cccc(c1C)N 34a_100011216573_100000210202 [1,1,0,0,0,0|2,0,0]=4 1787 B11R1.13 CCOc1cccc(c1C)N 7a_100011216573_100000210202 [1,1,0,0,0,0|2,0,0]=4 1788 B11R1.13 CCOc1nccc(c1Br)C 34a_100012000493_100000210202 [1,1,0,0,0,0|2,0,0]=4 1789 B11R1.13 CCOc1nccc(c1C)Br 34a_100009858498_100000210202 [1,1,0,0,0,0|1,0,0]=3 1790 B11R1.13 CCOc1nccc(c1Cl)N 34a_200000093555_100000210202 [1,1,0,0,0,0|2,0,0]=4 1791 B11R1.13 CCOc1ncnc(c1C)C 34a_100000697798_100000210202 [1,1,0,0,0,0|2,0,0]=4 1792 B11R1.13 CCOc1ncnc(c1C)Cl 34a_100011912821_100000210202 [1,1,0,0,0,0|2,0,0]=4 1793 B11R1.13 CCSc1nccc(c1C)C 62a_100000210202_100009847204 [1,1,0,0,0,0|1,1,0]=4 1794 B11R1.13 CCSc1nccc(c1C)C 62a_100009847204_100000210202 [1,1,0,0,0,0|1,1,0]=4 1795 B11R1.13 CCSc1nccc(c1C)F 62a_100000210202_100009846374 [1,1,0,0,0,0|1,1,0]=4 1796 B11R1.13 CCSc1nccc(c1C)F 62a_100009846374_100000210202 [1,1,0,0,0,0|1,1,0]=4 1797 B11R1.13 CCSc1nccc(c1C)N 62a_100000210202_100000690622 [1,1,0,0,0,0|1,1,0]=4 1798 B11R1.13 CCSc1nccc(c1C)N 62a_100000690622_100000210202 [1,1,0,0,0,0|1,1,0]=4 1799 B11R1.13 Cc1c(ccnc1OCF)Br 34a_100009858498_100015361967 [1,1,0,0,0,0|2,0,0]=4 1800 B11R1.17 C#CCNc1nccnc1C 27a_100000212058_100011999405 [1,1,0,0,0,0|1,0,1]=4 1801 B11R1.17 C#CCOc1cccnc1C 34a_100000745507_100000184674 [1,1,0,0,0,0|1,0,1]=4 1802 B11R1.17 C#CCOc1cccnc1C 7a_100000745507_100000038162 [1,1,0,0,0,0|1,0,1]=4 1803 B11R1.17 C#CCOc1nccnc1C 34a_100000766352_100000184674 [1,1,0,0,0,0|0,0,1]=3 1804 B11R1.17 C#CCSc1nccnc1C 62a_100000038162_100011999405 [1,1,0,0,0,0|0,1,1]=4 1805 B11R1.17 C=CCNc1nccnc1C 27a_100020586998_100011999405 [1,1,0,0,0,0|1,0,1]=4 1806 B11R1.17 C=CCOc1cccnc1C 34a_100000745507_100015514636 [1,1,0,0,0,0|1,0,1]=4 1807 B11R1.17 C=CCOc1cccnc1C 7a_100000745507_100015514636 [1,1,0,0,0,0|1,0,1]=4 1808 B11R1.17 C=CCOc1nccnc1C 34a_100000766352_100015514636 [1,1,0,0,0,0|0,0,1]=3 1809 B11R1.17 C=CCSc1nccnc1C 62a_100000210623_100011999405 [1,1,0,0,0,0|0,1,1]=4 1810 B11R1.17 C=CCSc1nccnc1C 62a_100011999405_100000210623 [1,1,0,0,0,0|0,1,1]=4 1811 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [1,1,0,0,0,0|2,0,0]=4 1812 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [1,1,0,0,0,0|2,0,0]=4 1813 B11R1.17 CCCCc1nccnc1C 271570a_100020621405_100011999405 [1,1,0,0,0,0|1,0,0]=3 1814 B11R1.17 CCCCc1nccnc1F 271570a_100020621405_200010125657 [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.17 CCCCc1nccnc1N 271570a_100020621405_100000747729 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 1817 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.17 CCCOc1cccnc1Br 34a_100000744436_100000210303 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.17 CCCOc1cccnc1Br 7a_100000744436_100000210303 [1,1,0,0,0,0|2,0,0]=4 1820 B11R1.17 CCCOc1cccnc1C 34a_100000745507_100000210303 [1,1,0,0,0,0|1,0,0]=3 1821 B11R1.17 CCCOc1cccnc1C 7a_100000745507_100000210303 [1,1,0,0,0,0|1,0,0]=3 1822 B11R1.17 CCCOc1cccnc1Cl 34a_100000757616_100000210303 [1,1,0,0,0,0|2,0,0]=4 1823 B11R1.17 CCCOc1cccnc1Cl 7a_100000757616_100000210303 [1,1,0,0,0,0|2,0,0]=4 1824 B11R1.17 CCCOc1cccnc1F 34a_100000061740_100000210303 [1,1,0,0,0,0|2,0,0]=4 1825 B11R1.17 CCCOc1cccnc1F 7a_100000061740_100000210303 [1,1,0,0,0,0|2,0,0]=4 1826 B11R1.17 CCCOc1cccnc1I 34a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 1827 B11R1.17 CCCOc1cccnc1I 7a_100000034122_100000210303 [1,1,0,0,0,0|2,0,0]=4 1828 B11R1.17 CCCOc1cccnc1N 34a_100000211975_100000210303 [1,1,0,0,0,0|2,0,0]=4 1829 B11R1.17 CCCOc1cccnc1N 7a_100000211975_100000210303 [1,1,0,0,0,0|2,0,0]=4 1830 B11R1.17 CCCOc1ncccc1Cl 34a_100011290957_100000210303 [1,1,0,0,0,0|2,0,0]=4 1831 B11R1.17 CCCOc1ncccc1F 34a_100011219419_100000210303 [1,1,0,0,0,0|2,0,0]=4 1832 B11R1.17 CCCOc1ncccc1N 34a_100000746358_100000210303 [1,1,0,0,0,0|2,0,0]=4 1833 B11R1.17 CCCOc1ncccc1O 271570a_203496583355_200011465209 [1,1,0,0,0,0|2,0,0]=4 1834 B11R1.17 CCCOc1nccnc1C 34a_100000766352_100000210303 [1,1,0,0,0,0|0,0,0]=2 1835 B11R1.17 CCCSc1cccnc1C 62a_100000210303_100000751574 [1,1,0,0,0,0|1,1,0]=4 1836 B11R1.17 CCCSc1cccnc1C 62a_100000751574_100000210303 [1,1,0,0,0,0|1,1,0]=4 1837 B11R1.17 CCCSc1ncccc1C 62a_100000210303_100000751373 [1,1,0,0,0,0|1,1,0]=4 1838 B11R1.17 CCCSc1ncccc1C 62a_100000751373_100000210303 [1,1,0,0,0,0|1,1,0]=4 1839 B11R1.17 CCCSc1nccnc1C 62a_100000210303_100011999405 [1,1,0,0,0,0|0,1,0]=3 1840 B11R1.17 CCCSc1nccnc1C 62a_100011999405_100000210303 [1,1,0,0,0,0|0,1,0]=3 1841 B11R1.17 CCCSc1nccnc1Cl 62a_100000210303_100010886584 [1,1,0,0,0,0|1,1,0]=4 1842 B11R1.17 CCCSc1nccnc1Cl 62a_100010886584_100000210303 [1,1,0,0,0,0|1,1,0]=4 1843 B11R1.17 CCCSc1nccnc1F 62a_100000210303_200010125657 [1,1,0,0,0,0|1,1,0]=4 1844 B11R1.17 CCCSc1nccnc1F 62a_200010125657_100000210303 [1,1,0,0,0,0|1,1,0]=4 1845 B11R1.17 CCCSc1nccnc1N 62a_100000210303_100000747729 [1,1,0,0,0,0|1,1,0]=4 1846 B11R1.17 CCCSc1nccnc1N 62a_100000747729_100000210303 [1,1,0,0,0,0|1,1,0]=4 1847 B11R1.17 CCNCc1cccnc1C 207a_100015525214_100000751968 [1,1,0,0,0,0|2,0,0]=4 1848 B11R1.17 CCNCc1cccnc1C 2230a_100015525214_100000732876 [1,1,0,0,0,0|2,0,0]=4 1849 B11R1.17 CCNCc1cccnc1C 270004a_100015525214_100000751968 [1,1,0,0,0,0|2,0,0]=4 1850 B11R1.17 CCNCc1ncccc1C 207a_100015525214_100000698913 [1,1,0,0,0,0|2,0,0]=4 1851 B11R1.17 CCNCc1ncccc1C 2230a_100015525214_100000696600 [1,1,0,0,0,0|2,0,0]=4 1852 B11R1.17 CCNCc1ncccc1C 270004a_100015525214_100000698913 [1,1,0,0,0,0|2,0,0]=4 1853 B11R1.17 CCNCc1ncccc1C 34a_100011223789_100000210202 [1,1,0,0,0,0|2,0,0]=4 1854 B11R1.17 CCNCc1nccnc1C 2230a_100020641712_100000210202 [1,1,0,0,0,0|1,0,0]=3 1855 B11R1.17 CCNCc1nccnc1C 270004a_100015525214_100000050726 [1,1,0,0,0,0|1,0,0]=3 1856 B11R1.17 CCNCc1nccnc1C 34a_100020641712_100000210202 [1,1,0,0,0,0|1,0,0]=3 1857 B11R1.17 CCNCc1nccnc1Cl 2230a_100000729963_100000210202 [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 1859 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|2,0,0]=4 1860 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 1861 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [1,1,0,0,0,0|2,0,0]=4 1862 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [1,1,0,0,0,0|2,0,0]=4 1863 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [1,1,0,0,0,0|2,0,0]=4 1864 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [1,1,0,0,0,0|1,0,0]=3 1865 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [1,1,0,0,0,0|1,0,0]=3 1866 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [1,1,0,0,0,0|1,0,0]=3 1867 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [1,1,0,0,0,0|2,0,0]=4 1868 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [1,1,0,0,0,0|2,0,0]=4 1869 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [1,1,0,0,0,0|2,0,0]=4 1870 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [1,1,0,0,0,0|2,0,0]=4 1871 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [1,1,0,0,0,0|2,0,0]=4 1872 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [1,1,0,0,0,0|2,0,0]=4 1873 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [1,1,0,0,0,0|2,0,0]=4 1874 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [1,1,0,0,0,0|2,0,0]=4 1875 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [1,1,0,0,0,0|1,0,0]=3 1876 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [1,1,0,0,0,0|1,0,0]=3 1877 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [1,1,0,0,0,0|2,0,0]=4 1878 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [1,1,0,0,0,0|2,0,0]=4 1879 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [1,1,0,0,0,0|2,0,0]=4 1880 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [1,1,0,0,0,0|2,0,0]=4 1881 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [1,1,0,0,0,0|2,0,0]=4 1882 B11R1.17 CCOCc1nccnc1Cl 34a_100000057004_100000210202 [1,1,0,0,0,0|1,0,0]=3 1883 B11R1.17 CCSCc1cccnc1C 62a_100000210202_100000732876 [1,1,0,0,0,0|1,1,0]=4 1884 B11R1.17 CCSCc1cccnc1C 62a_100000732876_100000210202 [1,1,0,0,0,0|1,1,0]=4 1885 B11R1.17 CCSCc1ncccc1C 62a_100000210202_100000696600 [1,1,0,0,0,0|1,1,0]=4 1886 B11R1.17 CCSCc1ncccc1C 62a_100000696600_100000210202 [1,1,0,0,0,0|1,1,0]=4 1887 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 1888 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 1889 B11R1.17 COCOc1cccnc1O 271570a_203496583355_100011935308 [1,1,0,0,0,0|2,0,0]=4 1890 B11R1.17 COCSc1cccnc1C 62a_100000751574_100000766300 [1,1,0,0,0,0|1,1,0]=4 1891 B11R1.17 COCSc1cccnc1C 62a_100000766300_100000751574 [1,1,0,0,0,0|1,1,0]=4 1892 B11R1.17 COCSc1ncccc1C 62a_100000751373_100000766300 [1,1,0,0,0,0|1,1,0]=4 1893 B11R1.17 COCSc1ncccc1C 62a_100000766300_100000751373 [1,1,0,0,0,0|1,1,0]=4 1894 B11R1.17 COCSc1nccnc1C 62a_100000766300_100011999405 [1,1,0,0,0,0|0,1,0]=3 1895 B11R1.17 COCSc1nccnc1C 62a_100011999405_100000766300 [1,1,0,0,0,0|0,1,0]=3 1896 B11R1.17 COCSc1nccnc1Cl 62a_100000766300_100010886584 [1,1,0,0,0,0|1,1,0]=4 1897 B11R1.17 COCSc1nccnc1Cl 62a_100010886584_100000766300 [1,1,0,0,0,0|1,1,0]=4 1898 B11R1.17 COCSc1nccnc1F 62a_100000766300_200010125657 [1,1,0,0,0,0|1,1,0]=4 1899 B11R1.17 COCSc1nccnc1F 62a_200010125657_100000766300 [1,1,0,0,0,0|1,1,0]=4 1900 B11R1.17 COCSc1nccnc1N 62a_100000747729_100000766300 [1,1,0,0,0,0|1,1,0]=4 1901 B11R1.17 COCSc1nccnc1N 62a_100000766300_100000747729 [1,1,0,0,0,0|1,1,0]=4 1902 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [1,1,0,0,0,0|2,0,0]=4 1903 B11R1.17 CSCOc1cccnc1Br 34a_100000744436_100011218213 [1,1,0,0,0,0|2,0,0]=4 1904 B11R1.17 CSCOc1cccnc1C 34a_100000745507_100011218213 [1,1,0,0,0,0|1,0,0]=3 1905 B11R1.17 CSCOc1cccnc1Cl 34a_100000757616_100011218213 [1,1,0,0,0,0|2,0,0]=4 1906 B11R1.17 CSCOc1cccnc1F 34a_100000061740_100011218213 [1,1,0,0,0,0|2,0,0]=4 1907 B11R1.17 CSCOc1cccnc1I 34a_100000034122_100011218213 [1,1,0,0,0,0|2,0,0]=4 1908 B11R1.17 CSCOc1cccnc1N 34a_100000211975_100011218213 [1,1,0,0,0,0|2,0,0]=4 1909 B11R1.17 CSCOc1ncccc1Cl 34a_100011290957_100011218213 [1,1,0,0,0,0|2,0,0]=4 1910 B11R1.17 CSCOc1ncccc1F 34a_100011219419_100011218213 [1,1,0,0,0,0|2,0,0]=4 1911 B11R1.17 CSCOc1ncccc1N 34a_100000746358_100011218213 [1,1,0,0,0,0|2,0,0]=4 1912 B11R1.17 CSCOc1nccnc1C 34a_100000766352_100011218213 [1,1,0,0,0,0|0,0,0]=2 1913 B11R1.17 CSCSc1cccnc1C 62a_100000751574_100011218213 [1,1,0,0,0,0|1,1,0]=4 1914 B11R1.17 CSCSc1cccnc1C 62a_100011218213_100000751574 [1,1,0,0,0,0|1,1,0]=4 1915 B11R1.17 CSCSc1ncccc1C 62a_100000751373_100011218213 [1,1,0,0,0,0|1,1,0]=4 1916 B11R1.17 CSCSc1ncccc1C 62a_100011218213_100000751373 [1,1,0,0,0,0|1,1,0]=4 1917 B11R1.17 CSCSc1nccnc1C 62a_100011218213_100011999405 [1,1,0,0,0,0|0,1,0]=3 1918 B11R1.17 CSCSc1nccnc1C 62a_100011999405_100011218213 [1,1,0,0,0,0|0,1,0]=3 1919 B11R1.17 CSCSc1nccnc1Cl 62a_100010886584_100011218213 [1,1,0,0,0,0|1,1,0]=4 1920 B11R1.17 CSCSc1nccnc1Cl 62a_100011218213_100010886584 [1,1,0,0,0,0|1,1,0]=4 1921 B11R1.17 CSCSc1nccnc1F 62a_100011218213_200010125657 [1,1,0,0,0,0|1,1,0]=4 1922 B11R1.17 CSCSc1nccnc1F 62a_200010125657_100011218213 [1,1,0,0,0,0|1,1,0]=4 1923 B11R1.17 CSCSc1nccnc1N 62a_100000747729_100011218213 [1,1,0,0,0,0|1,1,0]=4 1924 B11R1.17 CSCSc1nccnc1N 62a_100011218213_100000747729 [1,1,0,0,0,0|1,1,0]=4 1925 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [1,1,0,0,0,0|2,0,0]=4 1926 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [1,1,0,0,0,0|2,0,0]=4 1927 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [1,1,0,0,0,0|2,0,0]=4 1928 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [1,1,0,0,0,0|2,0,0]=4 1929 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 1930 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 1931 B11R1.17 Cc1cccnc1COCF 34a_100000698912_100015361967 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.17 Cc1cccnc1SCCF 62a_100000751373_100011217306 [1,1,0,0,0,0|1,1,0]=4 1933 B11R1.17 Cc1cccnc1SCCF 62a_100011217306_100000751373 [1,1,0,0,0,0|1,1,0]=4 1934 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [1,1,0,0,0,0|1,1,0]=4 1935 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [1,1,0,0,0,0|1,1,0]=4 1936 B11R1.17 Cc1ncccc1COCF 34a_100000729262_100015361967 [1,1,0,0,0,0|2,0,0]=4 1937 B11R1.17 Cc1ncccc1COCF 7a_100000729262_100015361967 [1,1,0,0,0,0|2,0,0]=4 1938 B11R1.17 Cc1ncccc1OCC#N 7a_100000745507_100011215382 [1,1,0,0,0,0|1,0,1]=4 1939 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [1,1,0,0,0,0|1,0,1]=4 1940 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [1,1,0,0,0,0|1,0,1]=4 1941 B11R1.17 Cc1ncccc1OCCF 34a_100000745507_100011217306 [1,1,0,0,0,0|1,0,0]=3 1942 B11R1.17 Cc1ncccc1OCCF 7a_100000745507_100011217306 [1,1,0,0,0,0|1,0,0]=3 1943 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [1,1,0,0,0,0|1,0,0]=3 1944 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [1,1,0,0,0,0|1,0,0]=3 1945 B11R1.17 Cc1ncccc1SCCF 62a_100000751574_100011217306 [1,1,0,0,0,0|1,1,0]=4 1946 B11R1.17 Cc1ncccc1SCCF 62a_100011217306_100000751574 [1,1,0,0,0,0|1,1,0]=4 1947 B11R1.17 Cc1ncccc1SCCO 62a_100000211926_100000751574 [1,1,0,0,0,0|1,1,0]=4 1948 B11R1.17 Cc1ncccc1SCCO 62a_100000751574_100000211926 [1,1,0,0,0,0|1,1,0]=4 1949 B11R1.17 Cc1nccnc1CNCF 34a_100020641712_100015361967 [1,1,0,0,0,0|2,0,0]=4 1950 B11R1.17 Cc1nccnc1NCCO 27a_100000210304_100011999405 [1,1,0,0,0,0|1,0,0]=3 1951 B11R1.17 Cc1nccnc1OCC=O 34a_100000766352_200009817547 [1,1,0,0,0,0|0,0,1]=3 1952 B11R1.17 Cc1nccnc1OCCF 34a_100000766352_100011217306 [1,1,0,0,0,0|0,0,0]=2 1953 B11R1.17 Cc1nccnc1OCCO 34a_100000766352_100000211926 [1,1,0,0,0,0|0,0,0]=2 1954 B11R1.17 Cc1nccnc1SCC#N 62a_100011215382_100011999405 [1,1,0,0,0,0|0,1,1]=4 1955 B11R1.17 Cc1nccnc1SCC#N 62a_100011999405_100011215382 [1,1,0,0,0,0|0,1,1]=4 1956 B11R1.17 Cc1nccnc1SCC=O 62a_100011999405_200015260668 [1,1,0,0,0,0|0,1,1]=4 1957 B11R1.17 Cc1nccnc1SCC=O 62a_200015260668_100011999405 [1,1,0,0,0,0|0,1,1]=4 1958 B11R1.17 Cc1nccnc1SCCF 62a_100011217306_100011999405 [1,1,0,0,0,0|0,1,0]=3 1959 B11R1.17 Cc1nccnc1SCCF 62a_100011999405_100011217306 [1,1,0,0,0,0|0,1,0]=3 1960 B11R1.17 Cc1nccnc1SCCO 62a_100000211926_100011999405 [1,1,0,0,0,0|0,1,0]=3 1961 B11R1.17 Cc1nccnc1SCCO 62a_100011999405_100000211926 [1,1,0,0,0,0|0,1,0]=3 1962 B11R1.17 FCCOc1cccnc1Br 34a_100000744436_100011217306 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.17 FCCOc1cccnc1Br 7a_100000744436_100011217306 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.17 FCCOc1cccnc1Cl 34a_100000757616_100011217306 [1,1,0,0,0,0|2,0,0]=4 1965 B11R1.17 FCCOc1cccnc1Cl 7a_100000757616_100011217306 [1,1,0,0,0,0|2,0,0]=4 1966 B11R1.17 FCCOc1cccnc1F 34a_100000061740_100011217306 [1,1,0,0,0,0|2,0,0]=4 1967 B11R1.17 FCCOc1cccnc1F 7a_100000061740_100011217306 [1,1,0,0,0,0|2,0,0]=4 1968 B11R1.17 FCCOc1cccnc1I 34a_100000034122_100011217306 [1,1,0,0,0,0|2,0,0]=4 1969 B11R1.17 FCCOc1cccnc1I 7a_100000034122_100011217306 [1,1,0,0,0,0|2,0,0]=4 1970 B11R1.17 FCCOc1ncccc1Cl 34a_100011290957_100011217306 [1,1,0,0,0,0|2,0,0]=4 1971 B11R1.17 FCCOc1ncccc1F 34a_100011219419_100011217306 [1,1,0,0,0,0|2,0,0]=4 1972 B11R1.17 FCCSc1nccnc1Cl 62a_100010886584_100011217306 [1,1,0,0,0,0|1,1,0]=4 1973 B11R1.17 FCCSc1nccnc1Cl 62a_100011217306_100010886584 [1,1,0,0,0,0|1,1,0]=4 1974 B11R1.17 FCCSc1nccnc1F 62a_100011217306_200010125657 [1,1,0,0,0,0|1,1,0]=4 1975 B11R1.17 FCCSc1nccnc1F 62a_200010125657_100011217306 [1,1,0,0,0,0|1,1,0]=4 1976 B11R1.17 FCOCc1nccnc1Cl 34a_100000057004_100015361967 [1,1,0,0,0,0|2,0,0]=4 1977 B11R1.17 Nc1cccnc1OCCF 34a_100000746358_100011217306 [1,1,0,0,0,0|2,0,0]=4 1978 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [1,1,0,0,0,0|2,0,0]=4 1979 B11R1.17 Nc1ncccc1OCCF 34a_100000211975_100011217306 [1,1,0,0,0,0|2,0,0]=4 1980 B11R1.17 Nc1ncccc1OCCF 7a_100000211975_100011217306 [1,1,0,0,0,0|2,0,0]=4 1981 B11R1.17 Nc1ncccc1OCCO 34a_100000211975_100000211926 [1,1,0,0,0,0|2,0,0]=4 1982 B11R1.17 Nc1ncccc1OCCO 7a_100000211975_100000211926 [1,1,0,0,0,0|2,0,0]=4 1983 B11R1.17 Nc1nccnc1SCCF 62a_100000747729_100011217306 [1,1,0,0,0,0|1,1,0]=4 1984 B11R1.17 Nc1nccnc1SCCF 62a_100011217306_100000747729 [1,1,0,0,0,0|1,1,0]=4 1985 B11R1.17 Nc1nccnc1SCCO 62a_100000211926_100000747729 [1,1,0,0,0,0|1,1,0]=4 1986 B11R1.17 Nc1nccnc1SCCO 62a_100000747729_100000211926 [1,1,0,0,0,0|1,1,0]=4 1987 B11R1.17 OCCNc1nccnc1F 27a_100000210304_200010125657 [1,1,0,0,0,0|2,0,0]=4 1988 B11R1.17 OCCNc1nccnc1O 271570a_203496583355_200011219046 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.17 OCCOc1cccnc1Br 34a_100000744436_100000211926 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.17 OCCOc1cccnc1Br 7a_100000744436_100000211926 [1,1,0,0,0,0|2,0,0]=4 1991 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.17 OCCOc1cccnc1F 34a_100000061740_100000211926 [1,1,0,0,0,0|2,0,0]=4 1994 B11R1.17 OCCOc1cccnc1F 7a_100000061740_100000211926 [1,1,0,0,0,0|2,0,0]=4 1995 B11R1.17 OCCOc1cccnc1I 34a_100000034122_100000211926 [1,1,0,0,0,0|2,0,0]=4 1996 B11R1.17 OCCOc1cccnc1I 7a_100000034122_100000211926 [1,1,0,0,0,0|2,0,0]=4 1997 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [1,1,0,0,0,0|2,0,0]=4 1998 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [1,1,0,0,0,0|2,0,0]=4 1999 B11R1.17 OCCSc1nccnc1Cl 62a_100000211926_100010886584 [1,1,0,0,0,0|1,1,0]=4 2000 B11R1.17 OCCSc1nccnc1Cl 62a_100010886584_100000211926 [1,1,0,0,0,0|1,1,0]=4 2001 B11R1.17 OCCSc1nccnc1F 62a_100000211926_200010125657 [1,1,0,0,0,0|1,1,0]=4 2002 B11R1.17 OCCSc1nccnc1F 62a_200010125657_100000211926 [1,1,0,0,0,0|1,1,0]=4 2003 B11R1.17 Oc1ncccc1OCCF 271570a_203496583355_100012814765 [1,1,0,0,0,0|2,0,0]=4 2004 B11R1.81 CC=Cc1ncc(nc1C)C 271570a_100016259895_100000065684 [1,1,0,0,0,0|1,0,1]=4 2005 B11R1.81 CC=Cc1ncc(nc1C)N 271570a_100016259895_100009818570 [1,1,0,0,0,0|1,0,1]=4 2006 B11R1.81 CCOc1ccc(cc1C)Br 34a_100000186361_100000210202 [1,1,0,0,0,0|2,0,0]=4 2007 B11R1.81 CCOc1ccc(cc1C)Br 7a_100000186361_100000210202 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.81 CCOc1ccc(cc1C)C 34a_100000211776_100000210202 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.81 CCOc1ccc(cc1C)C 7a_100000211776_100000210202 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.81 CCOc1ccc(cc1C)Cl 34a_100000211091_100000210202 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.81 CCOc1ccc(cc1C)Cl 7a_100000211091_100000210202 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.81 CCOc1ccc(cc1C)F 34a_100000764316_100000210202 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.81 CCOc1ccc(cc1C)F 7a_100000764316_100000210202 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.81 CCOc1ccc(cc1C)I 34a_100011218673_100000210202 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.81 CCOc1ccc(cc1C)I 7a_100011218673_100000210202 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.81 CCOc1ccc(cc1C)N 34a_100011218179_100000210202 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.81 CCOc1ccc(cc1C)N 7a_100011218179_100000210202 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.81 CCOc1ccc(cc1C)O 271570a_203496583355_100011308936 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.81 CCOc1ccc(nc1Br)Br 34a_100009999766_100000210202 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.81 CCOc1ccc(nc1Br)Br 7a_100009999766_100000210202 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.81 CCOc1ccc(nc1Br)C 34a_100000702858_100000210202 [1,1,0,0,0,0|2,0,0]=4 2022 B11R1.81 CCOc1ccc(nc1Br)C 7a_100000702858_100000210202 [1,1,0,0,0,0|2,0,0]=4 2023 B11R1.81 CCOc1ccc(nc1Br)Cl 34a_100010219353_100000210202 [1,1,0,0,0,0|2,0,0]=4 2024 B11R1.81 CCOc1ccc(nc1Br)Cl 7a_100010219353_100000210202 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.81 CCOc1ccc(nc1Br)F 34a_100009887730_100000210202 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.81 CCOc1ccc(nc1Br)F 7a_100009887730_100000210202 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.81 CCOc1ccc(nc1Br)I 34a_100000725334_100000210202 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.81 CCOc1ccc(nc1Br)I 7a_100000725334_100000210202 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.81 CCOc1ccc(nc1C)Br 34a_100012002022_100000210202 [1,1,0,0,0,0|1,0,0]=3 2030 B11R1.81 CCOc1ccc(nc1C)Br 7a_100012002022_100000210202 [1,1,0,0,0,0|1,0,0]=3 2031 B11R1.81 CCOc1ccc(nc1C)C 34a_100011218912_100000210202 [1,1,0,0,0,0|1,0,0]=3 2032 B11R1.81 CCOc1ccc(nc1C)C 7a_100011218912_100000210202 [1,1,0,0,0,0|1,0,0]=3 2033 B11R1.81 CCOc1ccc(nc1C)Cl 34a_100012184626_100000210202 [1,1,0,0,0,0|1,0,0]=3 2034 B11R1.81 CCOc1ccc(nc1C)Cl 7a_100012184626_100000210202 [1,1,0,0,0,0|1,0,0]=3 2035 B11R1.81 CCOc1ccc(nc1C)F 34a_100009881036_100000210202 [1,1,0,0,0,0|1,0,0]=3 2036 B11R1.81 CCOc1ccc(nc1C)F 7a_100009881036_100000210202 [1,1,0,0,0,0|1,0,0]=3 2037 B11R1.81 CCOc1ccc(nc1C)I 34a_100010233687_100000210202 [1,1,0,0,0,0|1,0,0]=3 2038 B11R1.81 CCOc1ccc(nc1C)I 7a_100010233687_100000210202 [1,1,0,0,0,0|1,0,0]=3 2039 B11R1.81 CCOc1ccc(nc1Cl)Br 34a_100010246206_100000210202 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.81 CCOc1ccc(nc1Cl)Br 7a_100010246206_100000210202 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.81 CCOc1ccc(nc1Cl)C 34a_100000086286_100000210202 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.81 CCOc1ccc(nc1Cl)C 7a_100000086286_100000210202 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.81 CCOc1ccc(nc1Cl)Cl 34a_100000101165_100000210202 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.81 CCOc1ccc(nc1Cl)Cl 7a_100000101165_100000210202 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.81 CCOc1ccc(nc1Cl)I 34a_100000721234_100000210202 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.81 CCOc1ccc(nc1Cl)I 7a_100000721234_100000210202 [1,1,0,0,0,0|2,0,0]=4 2047 B11R1.81 CCOc1ccc(nc1F)Br 34a_100009819667_100000210202 [1,1,0,0,0,0|2,0,0]=4 2048 B11R1.81 CCOc1ccc(nc1F)Br 7a_100009819667_100000210202 [1,1,0,0,0,0|2,0,0]=4 2049 B11R1.81 CCOc1ccc(nc1F)C 34a_100000079963_100000210202 [1,1,0,0,0,0|2,0,0]=4 2050 B11R1.81 CCOc1ccc(nc1F)C 7a_100000079963_100000210202 [1,1,0,0,0,0|2,0,0]=4 2051 B11R1.81 CCOc1ccc(nc1F)Cl 34a_100009880201_100000210202 [1,1,0,0,0,0|2,0,0]=4 2052 B11R1.81 CCOc1ccc(nc1F)Cl 7a_100009880201_100000210202 [1,1,0,0,0,0|2,0,0]=4 2053 B11R1.81 CCOc1ccc(nc1F)F 34a_100000101184_100000210202 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.81 CCOc1ccc(nc1F)F 7a_100000101184_100000210202 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.81 CCOc1ccc(nc1I)Br 34a_100010253912_100000210202 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.81 CCOc1ccc(nc1I)Br 7a_100010253912_100000210202 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.81 CCOc1ccc(nc1I)C 34a_100000023897_100000210202 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.81 CCOc1ccc(nc1I)C 7a_100000023897_100000210202 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.81 CCOc1ccc(nc1I)Cl 34a_100000696390_100000210202 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.81 CCOc1ccc(nc1I)Cl 7a_100000696390_100000210202 [1,1,0,0,0,0|2,0,0]=4 2061 B11R1.81 CCOc1ccc(nc1I)F 34a_100010382442_100000210202 [1,1,0,0,0,0|2,0,0]=4 2062 B11R1.81 CCOc1ccc(nc1I)F 7a_100010382442_100000210202 [1,1,0,0,0,0|2,0,0]=4 2063 B11R1.81 CCOc1ccc(nc1N)Br 34a_100000685527_100000210202 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.81 CCOc1ccc(nc1N)Br 7a_100000685527_100000210202 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.81 CCOc1ccc(nc1N)C 34a_100000694039_100000210202 [1,1,0,0,0,0|2,0,0]=4 2066 B11R1.81 CCOc1ccc(nc1N)C 7a_100000694039_100000210202 [1,1,0,0,0,0|2,0,0]=4 2067 B11R1.81 CCOc1ccc(nc1N)Cl 34a_100000717809_100000210202 [1,1,0,0,0,0|2,0,0]=4 2068 B11R1.81 CCOc1ccc(nc1N)Cl 7a_100000717809_100000210202 [1,1,0,0,0,0|2,0,0]=4 2069 B11R1.81 CCOc1cnc(nc1C)C 34a_100009864123_100000210202 [1,1,0,0,0,0|2,0,0]=4 2070 B11R1.81 CCOc1cnc(nc1C)C 7a_100009864123_100000210202 [1,1,0,0,0,0|2,0,0]=4 2071 B11R1.81 CCOc1ncc(cc1Br)Br 34a_100000701035_100000210202 [1,1,0,0,0,0|2,0,0]=4 2072 B11R1.81 CCOc1ncc(cc1Br)C 34a_100000719714_100000210202 [1,1,0,0,0,0|2,0,0]=4 2073 B11R1.81 CCOc1ncc(cc1C)Br 34a_100000685391_100000210202 [1,1,0,0,0,0|1,0,0]=3 2074 B11R1.81 CCOc1ncc(cc1C)O 271570a_203496583355_100012351028 [1,1,0,0,0,0|1,0,0]=3 2075 B11R1.81 CCOc1ncc(cc1Cl)Br 34a_100012339560_100000210202 [1,1,0,0,0,0|2,0,0]=4 2076 B11R1.81 CCOc1ncc(cc1Cl)F 34a_100009847679_100000210202 [1,1,0,0,0,0|2,0,0]=4 2077 B11R1.81 CCOc1ncc(cc1F)Cl 34a_100011998252_100000210202 [1,1,0,0,0,0|2,0,0]=4 2078 B11R1.81 CCOc1ncc(cc1F)F 34a_100012025737_100000210202 [1,1,0,0,0,0|2,0,0]=4 2079 B11R1.81 CCOc1ncc(cc1N)Br 34a_100000743729_100000210202 [1,1,0,0,0,0|2,0,0]=4 2080 B11R1.81 CCOc1ncc(cc1N)C 34a_100012000488_100000210202 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.81 CCOc1ncc(cc1N)Cl 34a_100011998249_100000210202 [1,1,0,0,0,0|2,0,0]=4 2082 B11R1.81 CCOc1ncc(cc1N)O 271570a_203496583355_100011433076 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.81 CCOc1ncc(cc1O)Br 271570a_203496583355_200010177599 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.81 CCOc1ncc(nc1Cl)Br 34a_100010734560_100000210202 [1,1,0,0,0,0|1,0,0]=3 2085 B11R1.81 CCSc1ccc(nc1C)C 62a_100000210202_100009813853 [1,1,0,0,0,0|1,1,0]=4 2086 B11R1.81 CCSc1ccc(nc1C)C 62a_100009813853_100000210202 [1,1,0,0,0,0|1,1,0]=4 2087 B11R1.81 CCSc1ccc(nc1C)Cl 62a_100000062408_100000210202 [1,1,0,0,0,0|1,1,0]=4 2088 B11R1.81 CCSc1ccc(nc1C)Cl 62a_100000210202_100000062408 [1,1,0,0,0,0|1,1,0]=4 2089 B11R1.81 CCSc1ccc(nc1C)F 62a_100000210202_100000688911 [1,1,0,0,0,0|1,1,0]=4 2090 B11R1.81 CCSc1ccc(nc1C)F 62a_100000688911_100000210202 [1,1,0,0,0,0|1,1,0]=4 2091 B11R1.81 CCSc1ccc(nc1C)N 62a_100000187202_100000210202 [1,1,0,0,0,0|1,1,0]=4 2092 B11R1.81 CCSc1ccc(nc1C)N 62a_100000210202_100000187202 [1,1,0,0,0,0|1,1,0]=4 2093 B11R1.81 CCSc1ccc(nc1C)O 62a_100000210202_100000691680 [1,1,0,0,0,0|1,1,0]=4 2094 B11R1.81 CCSc1ccc(nc1C)O 62a_100000691680_100000210202 [1,1,0,0,0,0|1,1,0]=4 2095 B11R1.81 CCSc1ncc(cc1C)Br 62a_100000210202_100012353652 [1,1,0,0,0,0|1,1,0]=4 2096 B11R1.81 CCSc1ncc(cc1C)Br 62a_100012353652_100000210202 [1,1,0,0,0,0|1,1,0]=4 2097 B11R1.81 CCSc1ncc(cc1C)C 62a_100000210202_100009864548 [1,1,0,0,0,0|1,1,0]=4 2098 B11R1.81 CCSc1ncc(cc1C)C 62a_100009864548_100000210202 [1,1,0,0,0,0|1,1,0]=4 2099 B11R1.81 CCSc1ncc(cc1C)F 62a_100000210202_100009817009 [1,1,0,0,0,0|1,1,0]=4 2100 B11R1.81 CCSc1ncc(cc1C)F 62a_100009817009_100000210202 [1,1,0,0,0,0|1,1,0]=4 2101 B11R1.81 CCSc1ncc(cc1C)N 62a_100000210202_100000761747 [1,1,0,0,0,0|1,1,0]=4 2102 B11R1.81 CCSc1ncc(cc1C)N 62a_100000761747_100000210202 [1,1,0,0,0,0|1,1,0]=4 2103 B11R1.81 CCSc1ncc(cc1C)O 62a_100000210202_100012000486 [1,1,0,0,0,0|1,1,0]=4 2104 B11R1.81 CCSc1ncc(cc1C)O 62a_100012000486_100000210202 [1,1,0,0,0,0|1,1,0]=4 2105 B11R1.81 CCSc1ncc(nc1Br)Br 62a_100000210202_100010235571 [1,1,0,0,0,0|1,1,0]=4 2106 B11R1.81 CCSc1ncc(nc1Br)Br 62a_100010235571_100000210202 [1,1,0,0,0,0|1,1,0]=4 2107 B11R1.81 CCSc1ncc(nc1C)C 62a_100000065684_100000210202 [1,1,0,0,0,0|0,1,0]=3 2108 B11R1.81 CCSc1ncc(nc1C)C 62a_100000210202_100000065684 [1,1,0,0,0,0|0,1,0]=3 2109 B11R1.81 CCSc1ncc(nc1C)N 62a_100000210202_100009818570 [1,1,0,0,0,0|0,1,0]=3 2110 B11R1.81 CCSc1ncc(nc1C)N 62a_100009818570_100000210202 [1,1,0,0,0,0|0,1,0]=3 2111 B11R1.81 CCSc1ncc(nc1Cl)Cl 62a_100000210202_100010173851 [1,1,0,0,0,0|1,1,0]=4 2112 B11R1.81 CCSc1ncc(nc1Cl)N 62a_100000210202_100010116657 [1,1,0,0,0,0|1,1,0]=4 2113 B11R1.81 CCSc1ncc(nc1Cl)N 62a_100010116657_100000210202 [1,1,0,0,0,0|1,1,0]=4 2114 B11R1.81 Cc1cc(cnc1OCF)Br 34a_100000685391_100015361967 [1,1,0,0,0,0|2,0,0]=4 2115 B11R1.81 Cc1ccc(c(n1)C)OCF 34a_100011218912_100015361967 [1,1,0,0,0,0|2,0,0]=4 2116 B11R1.81 Cc1ccc(c(n1)C)OCF 7a_100011218912_100015361967 [1,1,0,0,0,0|2,0,0]=4 2117 B11R1.81 Cc1cnc(c(n1)C)SCF 62a_100000065684_100015361967 [1,1,0,0,0,0|1,1,0]=4 2118 B11R1.81 Cc1cnc(c(n1)C)SCF 62a_100015361967_100000065684 [1,1,0,0,0,0|1,1,0]=4 2119 B11R1.81 Cc1nc(ccc1OCF)Br 34a_100012002022_100015361967 [1,1,0,0,0,0|2,0,0]=4 2120 B11R1.81 Cc1nc(ccc1OCF)Br 7a_100012002022_100015361967 [1,1,0,0,0,0|2,0,0]=4 2121 B11R1.81 Cc1nc(ccc1OCF)Cl 34a_100012184626_100015361967 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.81 Cc1nc(ccc1OCF)Cl 7a_100012184626_100015361967 [1,1,0,0,0,0|2,0,0]=4 2123 B11R1.81 Cc1nc(ccc1OCF)F 34a_100009881036_100015361967 [1,1,0,0,0,0|2,0,0]=4 2124 B11R1.81 Cc1nc(ccc1OCF)F 7a_100009881036_100015361967 [1,1,0,0,0,0|2,0,0]=4 2125 B11R1.81 Cc1nc(ccc1OCF)I 34a_100010233687_100015361967 [1,1,0,0,0,0|2,0,0]=4 2126 B11R1.81 Cc1nc(ccc1OCF)I 7a_100010233687_100015361967 [1,1,0,0,0,0|2,0,0]=4 2127 B11R1.81 Cc1nc(cnc1SCF)N 62a_100009818570_100015361967 [1,1,0,0,0,0|1,1,0]=4 2128 B11R1.81 Cc1nc(cnc1SCF)N 62a_100015361967_100009818570 [1,1,0,0,0,0|1,1,0]=4 2129 B11R1.81 FCOc1ncc(nc1Cl)Br 34a_100010734560_100015361967 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.86 CC(=Cc1nccnc1C)C 271570a_100102525489_100011999405 [1,1,0,0,0,0|1,0,1]=4 2131 B11R1.86 CC(C)Nc1nccnc1F 27a_100138425928_200010125657 [1,1,0,0,0,0|2,0,0]=4 2132 B11R1.86 CC(C)Oc1cccnc1Br 34a_100000744436_100000210206 [1,1,0,0,0,0|2,0,0]=4 2133 B11R1.86 CC(C)Oc1cccnc1Br 7a_100000744436_100000210206 [1,1,0,0,0,0|2,0,0]=4 2134 B11R1.86 CC(C)Oc1cccnc1Cl 34a_100000757616_100000210206 [1,1,0,0,0,0|2,0,0]=4 2135 B11R1.86 CC(C)Oc1cccnc1Cl 7a_100000757616_100000210206 [1,1,0,0,0,0|2,0,0]=4 2136 B11R1.86 CC(C)Oc1cccnc1F 34a_100000061740_100000210206 [1,1,0,0,0,0|2,0,0]=4 2137 B11R1.86 CC(C)Oc1cccnc1F 7a_100000061740_100000210206 [1,1,0,0,0,0|2,0,0]=4 2138 B11R1.86 CC(C)Oc1cccnc1I 34a_100000034122_100000210206 [1,1,0,0,0,0|2,0,0]=4 2139 B11R1.86 CC(C)Oc1cccnc1I 7a_100000034122_100000210206 [1,1,0,0,0,0|2,0,0]=4 2140 B11R1.86 CC(C)Oc1cccnc1N 34a_100000211975_100000210206 [1,1,0,0,0,0|2,0,0]=4 2141 B11R1.86 CC(C)Oc1cccnc1N 7a_100000211975_100000210206 [1,1,0,0,0,0|2,0,0]=4 2142 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [1,1,0,0,0,0|2,0,0]=4 2143 B11R1.86 CC(C)Oc1ncccc1F 34a_100011219419_100000210206 [1,1,0,0,0,0|2,0,0]=4 2144 B11R1.86 CC(C)Oc1ncccc1N 34a_100000746358_100000210206 [1,1,0,0,0,0|2,0,0]=4 2145 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [1,1,0,0,0,0|2,0,0]=4 2146 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100000210206_100010886584 [1,1,0,0,0,0|1,1,0]=4 2147 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100010886584_100000210206 [1,1,0,0,0,0|1,1,0]=4 2148 B11R1.86 CC(C)Sc1nccnc1F 62a_100000210206_200010125657 [1,1,0,0,0,0|1,1,0]=4 2149 B11R1.86 CC(C)Sc1nccnc1F 62a_200010125657_100000210206 [1,1,0,0,0,0|1,1,0]=4 2150 B11R1.86 CC(C)Sc1nccnc1N 62a_100000210206_100000747729 [1,1,0,0,0,0|1,1,0]=4 2151 B11R1.86 CC(C)Sc1nccnc1N 62a_100000747729_100000210206 [1,1,0,0,0,0|1,1,0]=4 2152 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [1,1,0,0,0,0|2,0,0]=4 2153 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [1,1,0,0,0,0|2,0,0]=4 2154 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [1,1,0,0,0,0|1,1,0]=4 2155 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [1,1,0,0,0,0|1,1,0]=4 2156 B11R1.86 Cc1ncccc1OC(C)C 34a_100000745507_100000210206 [1,1,0,0,0,0|1,0,0]=3 2157 B11R1.86 Cc1ncccc1OC(C)C 7a_100000745507_100000210206 [1,1,0,0,0,0|1,0,0]=3 2158 B11R1.86 Cc1ncccc1SC(C)C 62a_100000210206_100000751574 [1,1,0,0,0,0|1,1,0]=4 2159 B11R1.86 Cc1ncccc1SC(C)C 62a_100000751574_100000210206 [1,1,0,0,0,0|1,1,0]=4 2160 B11R1.86 Cc1nccnc1CN(C)C 270004a_100102631434_100000050726 [1,1,0,0,0,0|2,0,0]=4 2161 B11R1.86 Cc1nccnc1NC(C)C 27a_100138425928_100011999405 [1,1,0,0,0,0|1,0,0]=3 2162 B11R1.86 Cc1nccnc1OC(C)C 34a_100000766352_100000210206 [1,1,0,0,0,0|0,0,0]=2 2163 B11R1.86 Cc1nccnc1SC(C)C 62a_100000210206_100011999405 [1,1,0,0,0,0|0,1,0]=3 2164 B11R1.86 Cc1nccnc1SC(C)C 62a_100011999405_100000210206 [1,1,0,0,0,0|0,1,0]=3 2165 B11R1.182 CC=Cc1nc(cnc1C)C 271570a_100016259895_100000211308 [1,1,0,0,0,0|1,0,1]=4 2166 B11R1.182 CC=Cc1nc(cnc1C)N 271570a_100016259895_100009877824 [1,1,0,0,0,0|1,0,1]=4 2167 B11R1.182 CCNc1nc(cnc1C)C 27a_100015525214_100000211308 [1,1,0,0,0,0|1,0,0]=3 2168 B11R1.182 CCNc1nc(cnc1N)O 271570a_203496583355_200010196044 [1,1,0,0,0,0|2,0,0]=4 2169 B11R1.182 CCOc1cc(ccc1C)Br 34a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 2170 B11R1.182 CCOc1cc(ccc1C)Br 7a_100000685420_100000210202 [1,1,0,0,0,0|2,0,0]=4 2171 B11R1.182 CCOc1cc(ccc1C)C 34a_100000210931_100000210202 [1,1,0,0,0,0|2,0,0]=4 2172 B11R1.182 CCOc1cc(ccc1C)C 7a_100000210931_100000210202 [1,1,0,0,0,0|2,0,0]=4 2173 B11R1.182 CCOc1cc(ccc1C)Cl 34a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 2174 B11R1.182 CCOc1cc(ccc1C)Cl 7a_100000756515_100000210202 [1,1,0,0,0,0|2,0,0]=4 2175 B11R1.182 CCOc1cc(ccc1C)F 34a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 2176 B11R1.182 CCOc1cc(ccc1C)F 7a_100000690566_100000210202 [1,1,0,0,0,0|2,0,0]=4 2177 B11R1.182 CCOc1cc(ccc1C)I 7a_100000766334_100000210202 [1,1,0,0,0,0|2,0,0]=4 2178 B11R1.182 CCOc1cc(ccc1C)N 34a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 2179 B11R1.182 CCOc1cc(ccc1C)N 7a_100000759471_100000210202 [1,1,0,0,0,0|2,0,0]=4 2180 B11R1.182 CCOc1cc(ccc1C)O 271570a_203496583355_100012361169 [1,1,0,0,0,0|2,0,0]=4 2181 B11R1.182 CCOc1cc(cnc1Br)Cl 34a_100000697010_100000210202 [1,1,0,0,0,0|2,0,0]=4 2182 B11R1.182 CCOc1cc(cnc1Br)Cl 7a_100000697010_100000210202 [1,1,0,0,0,0|2,0,0]=4 2183 B11R1.182 CCOc1cc(cnc1Br)F 34a_100009820119_100000210202 [1,1,0,0,0,0|2,0,0]=4 2184 B11R1.182 CCOc1cc(cnc1Br)F 7a_100009820119_100000210202 [1,1,0,0,0,0|2,0,0]=4 2185 B11R1.182 CCOc1cc(cnc1C)Br 34a_100009864810_100000210202 [1,1,0,0,0,0|1,0,0]=3 2186 B11R1.182 CCOc1cc(cnc1C)Br 7a_100009864810_100000210202 [1,1,0,0,0,0|1,0,0]=3 2187 B11R1.182 CCOc1cc(cnc1Cl)Br 34a_100012354860_100000210202 [1,1,0,0,0,0|2,0,0]=4 2188 B11R1.182 CCOc1cc(cnc1Cl)Br 7a_100012354860_100000210202 [1,1,0,0,0,0|2,0,0]=4 2189 B11R1.182 CCOc1cc(cnc1Cl)C 34a_100012000487_100000210202 [1,1,0,0,0,0|2,0,0]=4 2190 B11R1.182 CCOc1cc(cnc1Cl)C 7a_100012000487_100000210202 [1,1,0,0,0,0|2,0,0]=4 2191 B11R1.182 CCOc1cc(cnc1Cl)F 34a_100000079967_100000210202 [1,1,0,0,0,0|2,0,0]=4 2192 B11R1.182 CCOc1cc(cnc1Cl)F 7a_100000079967_100000210202 [1,1,0,0,0,0|2,0,0]=4 2193 B11R1.182 CCOc1cc(cnc1F)Br 34a_100009819871_100000210202 [1,1,0,0,0,0|2,0,0]=4 2194 B11R1.182 CCOc1cc(cnc1F)Br 7a_100009819871_100000210202 [1,1,0,0,0,0|2,0,0]=4 2195 B11R1.182 CCOc1cc(cnc1F)C 34a_100009849810_100000210202 [1,1,0,0,0,0|2,0,0]=4 2196 B11R1.182 CCOc1cc(cnc1F)C 7a_100009849810_100000210202 [1,1,0,0,0,0|2,0,0]=4 2197 B11R1.182 CCOc1cc(cnc1F)Cl 34a_100000094372_100000210202 [1,1,0,0,0,0|2,0,0]=4 2198 B11R1.182 CCOc1cc(cnc1F)Cl 7a_100000094372_100000210202 [1,1,0,0,0,0|2,0,0]=4 2199 B11R1.182 CCOc1cc(cnc1F)O 271570a_203496583355_100010732568 [1,1,0,0,0,0|2,0,0]=4 2200 B11R1.182 CCOc1cc(cnc1I)Br 34a_100010210634_100000210202 [1,1,0,0,0,0|2,0,0]=4 2201 B11R1.182 CCOc1cc(cnc1I)Br 7a_100010210634_100000210202 [1,1,0,0,0,0|2,0,0]=4 2202 B11R1.182 CCOc1cc(cnc1I)Cl 34a_100010233512_100000210202 [1,1,0,0,0,0|2,0,0]=4 2203 B11R1.182 CCOc1cc(cnc1I)Cl 7a_100010233512_100000210202 [1,1,0,0,0,0|2,0,0]=4 2204 B11R1.182 CCOc1cc(cnc1I)F 34a_100015624800_100000210202 [1,1,0,0,0,0|2,0,0]=4 2205 B11R1.182 CCOc1cc(cnc1I)F 7a_100015624800_100000210202 [1,1,0,0,0,0|2,0,0]=4 2206 B11R1.182 CCOc1cc(cnc1N)Br 34a_100009819042_100000210202 [1,1,0,0,0,0|2,0,0]=4 2207 B11R1.182 CCOc1cc(cnc1N)Br 7a_100009819042_100000210202 [1,1,0,0,0,0|2,0,0]=4 2208 B11R1.182 CCOc1cc(cnc1N)Cl 34a_100000123674_100000210202 [1,1,0,0,0,0|2,0,0]=4 2209 B11R1.182 CCOc1cc(cnc1N)Cl 7a_100000123674_100000210202 [1,1,0,0,0,0|2,0,0]=4 2210 B11R1.182 CCOc1cc(cnc1N)F 34a_100000094369_100000210202 [1,1,0,0,0,0|2,0,0]=4 2211 B11R1.182 CCOc1cc(cnc1N)F 7a_100000094369_100000210202 [1,1,0,0,0,0|2,0,0]=4 2212 B11R1.182 CCOc1nc(ccc1Br)C 34a_100009817604_100000210202 [1,1,0,0,0,0|2,0,0]=4 2213 B11R1.182 CCOc1nc(ccc1F)Cl 34a_100010729010_100000210202 [1,1,0,0,0,0|2,0,0]=4 2214 B11R1.182 CCOc1nc(ccc1N)C 34a_100000687486_100000210202 [1,1,0,0,0,0|2,0,0]=4 2215 B11R1.182 CCOc1nc(cnc1N)O 271570a_203496583355_200010196039 [1,1,0,0,0,0|1,0,0]=3 2216 B11R1.182 CCSc1cc(cnc1C)Br 62a_100000210202_200010090566 [1,1,0,0,0,0|1,1,0]=4 2217 B11R1.182 CCSc1cc(cnc1C)Br 62a_200010090566_100000210202 [1,1,0,0,0,0|1,1,0]=4 2218 B11R1.182 CCSc1cc(cnc1C)C 62a_100000210202_100009817436 [1,1,0,0,0,0|1,1,0]=4 2219 B11R1.182 CCSc1cc(cnc1C)C 62a_100009817436_100000210202 [1,1,0,0,0,0|1,1,0]=4 2220 B11R1.182 CCSc1cc(cnc1C)F 62a_100000210202_100009860710 [1,1,0,0,0,0|1,1,0]=4 2221 B11R1.182 CCSc1cc(cnc1C)F 62a_100009860710_100000210202 [1,1,0,0,0,0|1,1,0]=4 2222 B11R1.182 CCSc1cc(cnc1C)N 62a_100000210202_100011998591 [1,1,0,0,0,0|1,1,0]=4 2223 B11R1.182 CCSc1cc(cnc1C)N 62a_100011998591_100000210202 [1,1,0,0,0,0|1,1,0]=4 2224 B11R1.182 CCSc1cc(cnc1C)O 62a_100000210202_100009819603 [1,1,0,0,0,0|1,1,0]=4 2225 B11R1.182 CCSc1cc(cnc1C)O 62a_100009819603_100000210202 [1,1,0,0,0,0|1,1,0]=4 2226 B11R1.182 CCSc1nc(ccc1C)C 62a_100000210202_100009854376 [1,1,0,0,0,0|1,1,0]=4 2227 B11R1.182 CCSc1nc(ccc1C)C 62a_100009854376_100000210202 [1,1,0,0,0,0|1,1,0]=4 2228 B11R1.182 CCSc1nc(ccc1C)N 62a_100000126722_100000210202 [1,1,0,0,0,0|1,1,0]=4 2229 B11R1.182 CCSc1nc(ccc1C)N 62a_100000210202_100000126722 [1,1,0,0,0,0|1,1,0]=4 2230 B11R1.182 CCSc1nc(cnc1C)C 62a_100000210202_100000211308 [1,1,0,0,0,0|0,1,0]=3 2231 B11R1.182 CCSc1nc(cnc1C)C 62a_100000211308_100000210202 [1,1,0,0,0,0|0,1,0]=3 2232 B11R1.182 CCSc1nc(cnc1C)N 62a_100000210202_100009877824 [1,1,0,0,0,0|0,1,0]=3 2233 B11R1.182 CCSc1nc(cnc1C)N 62a_100009877824_100000210202 [1,1,0,0,0,0|0,1,0]=3 2234 B11R1.182 CCSc1nc(cnc1N)Br 62a_100000210202_100010988662 [1,1,0,0,0,0|1,1,0]=4 2235 B11R1.182 CCSc1nc(cnc1N)Br 62a_100010988662_100000210202 [1,1,0,0,0,0|1,1,0]=4 2236 B11R1.182 CCSc1nc(cnc1N)C 62a_100000210202_100009819049 [1,1,0,0,0,0|1,1,0]=4 2237 B11R1.182 CCSc1nc(cnc1N)C 62a_100009819049_100000210202 [1,1,0,0,0,0|1,1,0]=4 2238 B11R1.182 Cc1cnc(c(n1)SCF)C 62a_100000211308_100015361967 [1,1,0,0,0,0|1,1,0]=4 2239 B11R1.182 Cc1cnc(c(n1)SCF)C 62a_100015361967_100000211308 [1,1,0,0,0,0|1,1,0]=4 2240 B11R1.182 Cc1ncc(cc1OCF)Br 34a_100009864810_100015361967 [1,1,0,0,0,0|2,0,0]=4 2241 B11R1.182 Cc1ncc(cc1OCF)Br 7a_100009864810_100015361967 [1,1,0,0,0,0|2,0,0]=4 2242 B11R1.182 Cc1ncc(nc1SCF)N 62a_100009877824_100015361967 [1,1,0,0,0,0|1,1,0]=4 2243 B11R1.182 Cc1ncc(nc1SCF)N 62a_100015361967_100009877824 [1,1,0,0,0,0|1,1,0]=4 2244 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [1,1,0,0,0,0|2,0,0]=4 2245 B11R1.605 CCOc1c(cccc1Br)C 34a_100009817157_100000210202 [1,1,0,0,0,0|2,0,0]=4 2246 B11R1.605 CCOc1c(cccc1Br)C 7a_100009817157_100000210202 [1,1,0,0,0,0|2,0,0]=4 2247 B11R1.605 CCOc1c(cccc1C)C 34a_100000210341_100000210202 [1,1,0,0,0,0|2,0,0]=4 2248 B11R1.605 CCOc1c(cccc1C)C 7a_100000210341_100000210202 [1,1,0,0,0,0|2,0,0]=4 2249 B11R1.605 CCOc1c(cccc1Cl)C 34a_100000033731_100000210202 [1,1,0,0,0,0|2,0,0]=4 2250 B11R1.605 CCOc1c(cccc1Cl)C 7a_100000033731_100000210202 [1,1,0,0,0,0|2,0,0]=4 2251 B11R1.605 CCOc1c(cccc1F)C 34a_100011659162_100000210202 [1,1,0,0,0,0|2,0,0]=4 2252 B11R1.605 CCOc1c(cccc1F)C 7a_100011659162_100000210202 [1,1,0,0,0,0|2,0,0]=4 2253 B11R1.605 CCOc1c(cccc1N)C 34a_100000756359_100000210202 [1,1,0,0,0,0|2,0,0]=4 2254 B11R1.605 CCOc1c(cccc1N)C 7a_100000756359_100000210202 [1,1,0,0,0,0|2,0,0]=4 2255 B11R1.605 CCOc1c(ccnc1C)C 34a_100011934651_100000210202 [1,1,0,0,0,0|1,0,0]=3 2256 B11R1.605 CCOc1c(ccnc1C)C 7a_100011934651_100000210202 [1,1,0,0,0,0|1,0,0]=3 2257 B11R1.605 CCOc1c(ccnc1Cl)C 34a_100000696282_100000210202 [1,1,0,0,0,0|2,0,0]=4 2258 B11R1.605 CCOc1c(ccnc1Cl)C 7a_100000696282_100000210202 [1,1,0,0,0,0|2,0,0]=4 2259 B11R1.605 CCOc1c(ccnc1Cl)Cl 34a_100000118450_100000210202 [1,1,0,0,0,0|2,0,0]=4 2260 B11R1.605 CCOc1c(ccnc1Cl)Cl 7a_100000118450_100000210202 [1,1,0,0,0,0|2,0,0]=4 2261 B11R1.605 CCOc1c(ccnc1Cl)F 34a_100009867227_100000210202 [1,1,0,0,0,0|2,0,0]=4 2262 B11R1.605 CCOc1c(ccnc1Cl)F 7a_100009867227_100000210202 [1,1,0,0,0,0|2,0,0]=4 2263 B11R1.605 CCOc1c(ccnc1Cl)I 34a_100010067911_100000210202 [1,1,0,0,0,0|2,0,0]=4 2264 B11R1.605 CCOc1c(ccnc1Cl)I 7a_100010067911_100000210202 [1,1,0,0,0,0|2,0,0]=4 2265 B11R1.605 CCOc1c(ccnc1Cl)N 34a_100009844647_100000210202 [1,1,0,0,0,0|2,0,0]=4 2266 B11R1.605 CCOc1c(ccnc1Cl)N 7a_100009844647_100000210202 [1,1,0,0,0,0|2,0,0]=4 2267 B11R1.605 CCOc1c(ncnc1C)C 34a_100009878406_100000210202 [1,1,0,0,0,0|2,0,0]=4 2268 B11R1.605 CCOc1c(ncnc1C)C 7a_100009878406_100000210202 [1,1,0,0,0,0|2,0,0]=4 2269 B11R1.605 CCOc1c(occc1=O)C 34a_100000031901_100000210202 [1,1,0,0,0,0|2,0,0]=4 2270 B11R1.605 CCSc1c(ccnc1C)C 62a_100000210202_100012000501 [1,1,0,0,0,0|1,1,0]=4 2271 B11R1.605 CCSc1c(ccnc1C)C 62a_100012000501_100000210202 [1,1,0,0,0,0|1,1,0]=4 2272 B11R1.605 CCSc1c(ccnc1C)N 62a_100000210202_100010243816 [1,1,0,0,0,0|1,1,0]=4 2273 B11R1.605 CCSc1c(ccnc1C)N 62a_100010243816_100000210202 [1,1,0,0,0,0|1,1,0]=4 2274 B11R1.605 Cc1ccnc(c1OCF)C 34a_100011934651_100015361967 [1,1,0,0,0,0|2,0,0]=4 2275 B11R1.605 Cc1ccnc(c1OCF)C 7a_100011934651_100015361967 [1,1,0,0,0,0|2,0,0]=4 2276 B11R1.37 C=Cc1ncc(nc1OC)Br 271570a_100011290941_100010214903 [1,1,0,0,0,0|0,0,2]=4 2277 B11R1.37 C=Cc1ncc(nc1OC)N 271570a_100011290941_100010128448 [1,1,0,0,0,0|0,0,2]=4 2278 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 2280 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [1,1,0,0,0,0|2,0,0]=4 2281 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [1,1,0,0,0,0|2,0,0]=4 2282 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 2283 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 2284 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [1,1,0,0,0,0|2,0,0]=4 2285 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 2286 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 2287 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [1,1,0,0,0,0|2,0,0]=4 2288 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [1,1,0,0,0,0|2,0,0]=4 2289 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 2290 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 2291 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [1,1,0,0,0,0|2,0,0]=4 2292 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [1,1,0,0,0,0|1,0,0]=3 2293 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [1,1,0,0,0,0|1,0,0]=3 2294 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [1,1,0,0,0,0|1,0,0]=3 2295 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [1,1,0,0,0,0|1,0,0]=3 2296 B11R1.37 CCc1ncc(cc1SC)N 62a_100013085292_200000210301 [1,1,0,0,0,0|1,1,0]=4 2297 B11R1.37 CCc1ncc(cc1SC)N 62a_200000210301_100013085292 [1,1,0,0,0,0|1,1,0]=4 2298 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_100013085292_200025704644 [1,1,0,0,0,0|1,1,0]=4 2299 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_200025704644_100013085292 [1,1,0,0,0,0|1,1,0]=4 2300 B11R1.37 COc1cc(cnc1CO)O 271570a_203496583355_200010246159 [1,1,0,0,0,0|2,0,0]=4 2301 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [1,1,0,0,0,0|2,0,0]=4 2302 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [1,1,0,0,0,0|2,0,0]=4 2303 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [1,1,0,0,0,0|2,0,0]=4 2304 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [1,1,0,0,0,0|2,0,0]=4 2305 B11R1.37 COc1cc(cnc1SC)C 62a_200000210301_200000118316 [1,1,0,0,0,0|2,0,0]=4 2306 B11R1.37 COc1cc(cnc1SC)F 62a_100010136273_200000210301 [1,1,0,0,0,0|2,0,0]=4 2307 B11R1.37 COc1cc(cnc1SC)F 62a_200000210301_100009867738 [1,1,0,0,0,0|2,0,0]=4 2308 B11R1.37 COc1cc(cnc1SC)N 62a_200000210301_100000097218 [1,1,0,0,0,0|2,0,0]=4 2309 B11R1.37 COc1cc(cnc1SC)N 62a_200010291755_200000210301 [1,1,0,0,0,0|2,0,0]=4 2310 B11R1.37 COc1cc(cnc1S[13CH3])C 62a_200025704644_200000118316 [1,1,0,0,0,0|2,0,0]=4 2311 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_100010136273_200025704644 [1,1,0,0,0,0|2,0,0]=4 2312 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_200025704644_100009867738 [1,1,0,0,0,0|2,0,0]=4 2313 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200010291755_200025704644 [1,1,0,0,0,0|2,0,0]=4 2314 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200025704644_100000097218 [1,1,0,0,0,0|2,0,0]=4 2315 B11R1.37 COc1ccc(nc1CCl)C 34a_100020630696_200000210301 [1,1,0,0,0,0|2,0,0]=4 2316 B11R1.37 COc1ccc(nc1CCl)C 7a_100020630696_200000210301 [1,1,0,0,0,0|2,0,0]=4 2317 B11R1.37 COc1ccc(nc1CO)C 34a_100000751967_200000210301 [1,1,0,0,0,0|2,0,0]=4 2318 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [1,1,0,0,0,0|2,0,0]=4 2319 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [1,1,0,0,0,0|2,0,0]=4 2320 B11R1.37 COc1ccc(nc1SC)C 62a_100009820875_200000210301 [1,1,0,0,0,0|2,0,0]=4 2321 B11R1.37 COc1ccc(nc1SC)C 62a_200000210301_100009820875 [1,1,0,0,0,0|2,0,0]=4 2322 B11R1.37 COc1ccc(nc1SC)N 62a_100010172607_200000210301 [1,1,0,0,0,0|2,0,0]=4 2323 B11R1.37 COc1ccc(nc1SC)N 62a_200000210301_100010172607 [1,1,0,0,0,0|2,0,0]=4 2324 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_100009820875_200025704644 [1,1,0,0,0,0|2,0,0]=4 2325 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_200025704644_100009820875 [1,1,0,0,0,0|2,0,0]=4 2326 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_100010172607_200025704644 [1,1,0,0,0,0|2,0,0]=4 2327 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_200025704644_100010172607 [1,1,0,0,0,0|2,0,0]=4 2328 B11R1.37 COc1nc(ccc1CN)O 271570a_203496583355_100015687481 [1,1,0,0,0,0|2,0,0]=4 2329 B11R1.37 COc1nc(ccc1CO)O 271570a_203496583355_100010988397 [1,1,0,0,0,0|2,0,0]=4 2330 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [1,1,0,0,0,0|2,0,0]=4 2331 B11R1.37 COc1nc(ccc1SC)C 62a_100010138632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2332 B11R1.37 COc1nc(ccc1SC)C 62a_200000210301_100010138632 [1,1,0,0,0,0|2,0,0]=4 2333 B11R1.37 COc1nc(ccc1SC)N 62a_100010187630_200000210301 [1,1,0,0,0,0|2,0,0]=4 2334 B11R1.37 COc1nc(ccc1SC)N 62a_200000210301_100010187630 [1,1,0,0,0,0|2,0,0]=4 2335 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_100010138632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2336 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_200025704644_100010138632 [1,1,0,0,0,0|2,0,0]=4 2337 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_100010187630_200025704644 [1,1,0,0,0,0|2,0,0]=4 2338 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_200025704644_100010187630 [1,1,0,0,0,0|2,0,0]=4 2339 B11R1.37 COc1nc(cnc1SC)Br 62a_100010214903_200000210301 [1,1,0,0,0,0|1,0,0]=3 2340 B11R1.37 COc1nc(cnc1SC)Br 62a_200000210301_100010214903 [1,1,0,0,0,0|1,0,0]=3 2341 B11R1.37 COc1nc(cnc1SC)N 62a_100010128448_200000210301 [1,1,0,0,0,0|1,0,0]=3 2342 B11R1.37 COc1nc(cnc1SC)N 62a_200000210301_100010128448 [1,1,0,0,0,0|1,0,0]=3 2343 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_100010214903_200025704644 [1,1,0,0,0,0|1,0,0]=3 2344 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_200025704644_100010214903 [1,1,0,0,0,0|1,0,0]=3 2345 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_100010128448_200025704644 [1,1,0,0,0,0|1,0,0]=3 2346 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_200025704644_100010128448 [1,1,0,0,0,0|1,0,0]=3 2347 B11R1.37 COc1ncc(cc1CO)O 271570a_203496583355_100000695684 [1,1,0,0,0,0|2,0,0]=4 2348 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [1,1,0,0,0,0|2,0,0]=4 2349 B11R1.37 COc1ncc(cc1SC)Br 62a_100009814608_200000210301 [1,1,0,0,0,0|2,0,0]=4 2350 B11R1.37 COc1ncc(cc1SC)Br 62a_200000210301_100009814608 [1,1,0,0,0,0|2,0,0]=4 2351 B11R1.37 COc1ncc(cc1SC)C 62a_100012353929_200000210301 [1,1,0,0,0,0|2,0,0]=4 2352 B11R1.37 COc1ncc(cc1SC)C 62a_200000210301_100012353929 [1,1,0,0,0,0|2,0,0]=4 2353 B11R1.37 COc1ncc(cc1SC)F 62a_100009828472_200000210301 [1,1,0,0,0,0|2,0,0]=4 2354 B11R1.37 COc1ncc(cc1SC)F 62a_200000210301_100009828472 [1,1,0,0,0,0|2,0,0]=4 2355 B11R1.37 COc1ncc(cc1SC)N 62a_100012351452_200000210301 [1,1,0,0,0,0|2,0,0]=4 2356 B11R1.37 COc1ncc(cc1SC)N 62a_200000210301_100012351452 [1,1,0,0,0,0|2,0,0]=4 2357 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_100009814608_200025704644 [1,1,0,0,0,0|2,0,0]=4 2358 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_200025704644_100009814608 [1,1,0,0,0,0|2,0,0]=4 2359 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_100012353929_200025704644 [1,1,0,0,0,0|2,0,0]=4 2360 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_200025704644_100012353929 [1,1,0,0,0,0|2,0,0]=4 2361 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_100009828472_200025704644 [1,1,0,0,0,0|2,0,0]=4 2362 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_200025704644_100009828472 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_100012351452_200025704644 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_200025704644_100012351452 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.37 COc1ncc(nc1NN)O 271570a_203496583355_100010368496 [1,1,0,0,0,0|2,0,0]=4 2366 B11R1.37 COc1ncc(nc1OC)O 271570a_203496583355_100010132954 [1,1,0,0,0,0|1,0,0]=3 2367 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 34a_100020630696_200025704644 [1,1,0,0,0,0|2,0,0]=4 2368 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 7a_100020630696_200025704644 [1,1,0,0,0,0|2,0,0]=4 2369 B11R1.37 Cc1ccc(c(n1)CO)O[13CH3] 34a_100000751967_200025704644 [1,1,0,0,0,0|2,0,0]=4 2370 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [1,1,0,0,0,0|1,0,1]=4 2371 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [1,1,0,0,0,0|1,0,1]=4 2372 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [1,1,0,0,0,0|1,0,1]=4 2373 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [1,1,0,0,0,0|0,0,1]=3 2374 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [1,1,0,0,0,0|1,0,1]=4 2375 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [1,1,0,0,0,0|1,0,1]=4 2376 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [1,1,0,0,0,0|1,0,1]=4 2377 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [1,1,0,0,0,0|0,0,1]=3 2378 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,1,0,0,0,0|1,0,1]=4 2379 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,1,0,0,0,0|1,0,1]=4 2380 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [1,1,0,0,0,0|0,1,1]=4 2381 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [1,1,0,0,0,0|0,1,1]=4 2382 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [1,1,0,0,0,0|2,0,0]=4 2383 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [1,1,0,0,0,0|2,0,0]=4 2384 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [1,1,0,0,0,0|1,1,0]=4 2385 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [1,1,0,0,0,0|1,1,0]=4 2386 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [1,1,0,0,0,0|1,0,0]=3 2387 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [1,1,0,0,0,0|1,0,0]=3 2388 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [1,1,0,0,0,0|1,1,0]=4 2389 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [1,1,0,0,0,0|1,1,0]=4 2390 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [1,1,0,0,0,0|2,0,0]=4 2391 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [1,1,0,0,0,0|2,0,0]=4 2392 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [1,1,0,0,0,0|1,1,0]=4 2393 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [1,1,0,0,0,0|1,1,0]=4 2394 B11R1.53 CCc1nccnc1N(C)C 27a_100102631434_100011995844 [1,1,0,0,0,0|1,0,0]=3 2395 B11R1.53 CN(C)c1nccnc1S[13CH3] 62a_200025704644_100000703087 [1,1,0,0,0,0|1,1,0]=4 2396 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [1,1,0,0,0,0|1,0,1]=4 2397 B11R1.53 CNc1nccnc1N(C)C 27a_100102657272_100000703087 [1,1,0,0,0,0|2,0,0]=4 2398 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [1,1,0,0,0,0|2,0,0]=4 2399 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [1,1,0,0,0,0|2,0,0]=4 2400 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [1,1,0,0,0,0|2,0,0]=4 2401 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [1,1,0,0,0,0|2,0,0]=4 2402 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [1,1,0,0,0,0|2,0,0]=4 2403 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,1,0,0,0,0|1,0,1]=4 2404 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,1,0,0,0,0|1,0,1]=4 2405 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [1,1,0,0,0,0|1,0,0]=3 2406 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [1,1,0,0,0,0|1,0,0]=3 2407 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [1,1,0,0,0,0|1,0,1]=4 2408 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [1,1,0,0,0,0|1,0,0]=3 2409 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [1,1,0,0,0,0|1,1,0]=4 2410 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [1,1,0,0,0,0|1,1,0]=4 2411 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [1,1,0,0,0,0|1,1,0]=4 2412 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [1,1,0,0,0,0|1,1,0]=4 2413 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [1,1,0,0,0,0|1,1,0]=4 2414 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [1,1,0,0,0,0|1,1,0]=4 2415 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [1,1,0,0,0,0|1,1,0]=4 2416 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [1,1,0,0,0,0|1,1,0]=4 2417 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [1,1,0,0,0,0|0,1,1]=4 2418 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [1,1,0,0,0,0|0,1,1]=4 2419 B11R1.53 CSc1nccnc1N(C)C 62a_200000210301_100000703087 [1,1,0,0,0,0|1,1,0]=4 2420 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [1,1,0,0,0,0|2,0,0]=4 2421 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [1,1,0,0,0,0|1,1,0]=4 2422 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [1,1,0,0,0,0|1,1,0]=4 2423 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [1,1,0,0,0,0|1,0,1]=4 2424 B11R1.265 CCc1cccc(c1OC)Br 34a_200010001580_200000210301 [1,1,0,0,0,0|2,0,0]=4 2425 B11R1.265 CCc1cccc(c1OC)Br 7a_200010001580_200000210301 [1,1,0,0,0,0|2,0,0]=4 2426 B11R1.265 CCc1cccc(c1OC)C 34a_100000034007_200000210301 [1,1,0,0,0,0|2,0,0]=4 2427 B11R1.265 CCc1cccc(c1OC)C 7a_100000034007_200000210301 [1,1,0,0,0,0|2,0,0]=4 2428 B11R1.265 CCc1cccc(c1O[13CH3])Br 34a_200010001580_200025704644 [1,1,0,0,0,0|2,0,0]=4 2429 B11R1.265 CCc1cccc(c1O[13CH3])Br 7a_200010001580_200025704644 [1,1,0,0,0,0|2,0,0]=4 2430 B11R1.265 CCc1cccc(c1O[13CH3])C 34a_100000034007_200025704644 [1,1,0,0,0,0|2,0,0]=4 2431 B11R1.265 CCc1cccc(c1O[13CH3])C 7a_100000034007_200025704644 [1,1,0,0,0,0|2,0,0]=4 2432 B11R1.265 CCc1occc(=O)c1OC 34a_100000033269_200000210301 [1,1,0,0,0,0|2,0,0]=4 2433 B11R1.265 CCc1occc(=O)c1O[13CH3] 34a_100000033269_200025704644 [1,1,0,0,0,0|2,0,0]=4 2434 B11R1.265 COc1c(ccnc1CO)O 271570a_203496583355_100009869429 [1,1,0,0,0,0|2,0,0]=4 2435 B11R1.265 COc1c(ccnc1SC)N 62a_100000104429_200000210301 [1,1,0,0,0,0|2,0,0]=4 2436 B11R1.265 COc1c(ccnc1SC)N 62a_200000210301_100000104429 [1,1,0,0,0,0|2,0,0]=4 2437 B11R1.265 COc1c(ccnc1SC)O 62a_200000210301_100000104430 [1,1,0,0,0,0|2,0,0]=4 2438 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_100000104429_200025704644 [1,1,0,0,0,0|2,0,0]=4 2439 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_200025704644_100000104429 [1,1,0,0,0,0|2,0,0]=4 2440 B11R1.265 COc1c(ccnc1S[13CH3])O 62a_200025704644_100000104430 [1,1,0,0,0,0|2,0,0]=4 2441 B11R1.265 COc1nccc(c1SC)C 62a_100012353928_200000210301 [1,1,0,0,0,0|2,0,0]=4 2442 B11R1.265 COc1nccc(c1SC)C 62a_200000210301_100012353928 [1,1,0,0,0,0|2,0,0]=4 2443 B11R1.265 COc1nccc(c1SC)N 62a_100010243811_200000210301 [1,1,0,0,0,0|2,0,0]=4 2444 B11R1.265 COc1nccc(c1SC)N 62a_200000210301_100010243811 [1,1,0,0,0,0|2,0,0]=4 2445 B11R1.265 COc1nccc(c1S[13CH3])C 62a_100012353928_200025704644 [1,1,0,0,0,0|2,0,0]=4 2446 B11R1.265 COc1nccc(c1S[13CH3])C 62a_200025704644_100012353928 [1,1,0,0,0,0|2,0,0]=4 2447 B11R1.265 COc1nccc(c1S[13CH3])N 62a_100010243811_200025704644 [1,1,0,0,0,0|2,0,0]=4 2448 B11R1.265 COc1nccc(c1S[13CH3])N 62a_200025704644_100010243811 [1,1,0,0,0,0|2,0,0]=4 2449 B11R1.18 C#CCOc1ccnn1CC 34a_100012181048_100000184674 [0,1,0,0,1,0|1,0,1]=4 2450 B11R1.18 C=CCOc1ccnn1CC 34a_100012181048_100015514636 [0,1,0,0,1,0|1,0,1]=4 2451 B11R1.18 CCCCc1ccnn1CC 271570a_100020621405_100000728327 [0,1,0,0,1,0|2,0,0]=4 2452 B11R1.18 CCCCc1nccn1CC 271570a_100020621405_100011617267 [0,1,0,0,1,0|2,0,0]=4 2453 B11R1.18 CCCCc1ncnn1CC 271570a_100020621405_100009879425 [0,1,0,0,1,0|2,0,0]=4 2454 B11R1.18 CCCCc1sccc1CC 271570a_100020621405_200009875468 [0,1,0,0,1,0|2,0,0]=4 2455 B11R1.18 CCCOc1ccnn1CC 34a_100012181048_100000210303 [0,1,0,0,1,0|1,0,0]=3 2456 B11R1.18 CCCSc1ccnn1CC 62a_100000210303_100000728327 [0,1,0,0,1,0|1,1,0]=4 2457 B11R1.18 CCCSc1ccnn1CC 62a_100000728327_100000210303 [0,1,0,0,1,0|1,1,0]=4 2458 B11R1.18 CCCSc1nccn1CC 62a_100000210303_100011617267 [0,1,0,0,1,0|1,1,0]=4 2459 B11R1.18 CCCSc1nccn1CC 62a_100011617267_100000210303 [0,1,0,0,1,0|1,1,0]=4 2460 B11R1.18 CCCSc1ncnn1CC 62a_100000210303_100009879425 [0,1,0,0,1,0|1,1,0]=4 2461 B11R1.18 CCCSc1ncnn1CC 62a_100009879425_100000210303 [0,1,0,0,1,0|1,1,0]=4 2462 B11R1.18 CCCSc1sccc1CC 62a_100000210303_200009875468 [0,1,0,0,1,0|1,1,0]=4 2463 B11R1.18 CCCSc1sccc1CC 62a_200009875468_100000210303 [0,1,0,0,1,0|1,1,0]=4 2464 B11R1.18 CCNCc1ccnn1CC 207a_100015525214_100000763647 [0,1,0,0,1,0|2,0,0]=4 2465 B11R1.18 CCNCc1ccnn1CC 2230a_100015525214_100025719316 [0,1,0,0,1,0|2,0,0]=4 2466 B11R1.18 CCNCc1ccnn1CC 270004a_100015525214_100000763647 [0,1,0,0,1,0|2,0,0]=4 2467 B11R1.18 CCNCc1nccn1CC 207a_100015525214_100000748659 [0,1,0,0,1,0|2,0,0]=4 2468 B11R1.18 CCNCc1nccn1CC 270004a_100015525214_100000748659 [0,1,0,0,1,0|2,0,0]=4 2469 B11R1.18 CCNCc1ncnn1CC 207a_100015525214_100011935331 [0,1,0,0,1,0|2,0,0]=4 2470 B11R1.18 CCNCc1ncnn1CC 270004a_100015525214_100011935331 [0,1,0,0,1,0|2,0,0]=4 2471 B11R1.18 CCOCc1ccnn1CC 34a_100011962870_100000210202 [0,1,0,0,1,0|1,0,0]=3 2472 B11R1.18 CCOCc1ccnn1CC 34a_100121572206_100025719316 [0,1,0,0,1,0|1,0,0]=3 2473 B11R1.18 CCOCc1nccn1CC 7a_100000740674_100000210202 [0,1,0,0,1,0|1,0,0]=3 2474 B11R1.18 CCOCc1ncnn1CC 7a_100000728737_100000210202 [0,1,0,0,1,0|1,0,0]=3 2475 B11R1.18 CCOCc1nncn1CC 34a_100121572206_100015368369 [0,1,0,0,1,0|2,0,0]=4 2476 B11R1.18 CCOCn1ccnc1SC 62a_100000040581_200000210301 [0,1,0,0,1,0|2,0,0]=4 2477 B11R1.18 CCOCn1ccnc1SC 62a_200000210301_100000040581 [0,1,0,0,1,0|2,0,0]=4 2478 B11R1.18 CCOCn1ccnc1S[13CH3] 62a_100000040581_200025704644 [0,1,0,0,1,0|2,0,0]=4 2479 B11R1.18 CCOCn1ccnc1S[13CH3] 62a_200025704644_100000040581 [0,1,0,0,1,0|2,0,0]=4 2480 B11R1.18 CCSCc1ccnn1CC 62a_100000210202_100025719316 [0,1,0,0,1,0|1,1,0]=4 2481 B11R1.18 CCSCc1ccnn1CC 62a_100025719316_100000210202 [0,1,0,0,1,0|1,1,0]=4 2482 B11R1.18 CCc1ccsc1SCCF 62a_100011217306_200009875468 [0,1,0,0,1,0|1,1,0]=4 2483 B11R1.18 CCc1ccsc1SCCF 62a_200009875468_100011217306 [0,1,0,0,1,0|1,1,0]=4 2484 B11R1.18 CCc1ccsc1SCCO 62a_100000211926_200009875468 [0,1,0,0,1,0|1,1,0]=4 2485 B11R1.18 CCc1ccsc1SCCO 62a_200009875468_100000211926 [0,1,0,0,1,0|1,1,0]=4 2486 B11R1.18 CCc1ccsc1SCOC 62a_100000766300_200009875468 [0,1,0,0,1,0|1,1,0]=4 2487 B11R1.18 CCc1ccsc1SCOC 62a_200009875468_100000766300 [0,1,0,0,1,0|1,1,0]=4 2488 B11R1.18 CCc1ccsc1SCSC 62a_100011218213_200009875468 [0,1,0,0,1,0|1,1,0]=4 2489 B11R1.18 CCc1ccsc1SCSC 62a_200009875468_100011218213 [0,1,0,0,1,0|1,1,0]=4 2490 B11R1.18 CCc1nccn1CCNC 2230a_106832991635_100015185934 [0,1,0,0,1,0|2,0,0]=4 2491 B11R1.18 CCc1nccn1CCNC 34a_100102657272_100015185934 [0,1,0,0,1,0|2,0,0]=4 2492 B11R1.18 CCc1nccn1CCNC 7a_106832991635_100015185934 [0,1,0,0,1,0|2,0,0]=4 2493 B11R1.18 CCc1nccn1CCOC 34a_100138415774_100015185934 [0,1,0,0,1,0|2,0,0]=4 2494 B11R1.18 CCc1nccn1CCSC 62a_100015185934_200000210301 [0,1,0,0,1,0|2,0,0]=4 2495 B11R1.18 CCc1nccn1CCSC 62a_200000210301_100015185934 [0,1,0,0,1,0|2,0,0]=4 2496 B11R1.18 CCc1nccn1CCS[13CH3] 62a_100015185934_200025704644 [0,1,0,0,1,0|2,0,0]=4 2497 B11R1.18 CCc1nccn1CCS[13CH3] 62a_200025704644_100015185934 [0,1,0,0,1,0|2,0,0]=4 2498 B11R1.18 CCn1ccnc1COCF 7a_100000740674_100015361967 [0,1,0,0,1,0|2,0,0]=4 2499 B11R1.18 CCn1ccnc1SCCF 62a_100011217306_100011617267 [0,1,0,0,1,0|1,1,0]=4 2500 B11R1.18 CCn1ccnc1SCCF 62a_100011617267_100011217306 [0,1,0,0,1,0|1,1,0]=4 2501 B11R1.18 CCn1ccnc1SCCO 62a_100000211926_100011617267 [0,1,0,0,1,0|1,1,0]=4 2502 B11R1.18 CCn1ccnc1SCCO 62a_100011617267_100000211926 [0,1,0,0,1,0|1,1,0]=4 2503 B11R1.18 CCn1ccnc1SCOC 62a_100000766300_100011617267 [0,1,0,0,1,0|1,1,0]=4 2504 B11R1.18 CCn1ccnc1SCOC 62a_100011617267_100000766300 [0,1,0,0,1,0|1,1,0]=4 2505 B11R1.18 CCn1ccnc1SCSC 62a_100011218213_100011617267 [0,1,0,0,1,0|1,1,0]=4 2506 B11R1.18 CCn1ccnc1SCSC 62a_100011617267_100011218213 [0,1,0,0,1,0|1,1,0]=4 2507 B11R1.18 CCn1nccc1COCF 34a_100011962870_100015361967 [0,1,0,0,1,0|2,0,0]=4 2508 B11R1.18 CCn1nccc1OCC=O 34a_100012181048_200009817547 [0,1,0,0,1,0|1,0,1]=4 2509 B11R1.18 CCn1nccc1OCCF 34a_100012181048_100011217306 [0,1,0,0,1,0|1,0,0]=3 2510 B11R1.18 CCn1nccc1OCCO 34a_100012181048_100000211926 [0,1,0,0,1,0|1,0,0]=3 2511 B11R1.18 CCn1nccc1OCSC 34a_100012181048_100011218213 [0,1,0,0,1,0|1,0,0]=3 2512 B11R1.18 CCn1nccc1SCCF 62a_100000728327_100011217306 [0,1,0,0,1,0|1,1,0]=4 2513 B11R1.18 CCn1nccc1SCCF 62a_100011217306_100000728327 [0,1,0,0,1,0|1,1,0]=4 2514 B11R1.18 CCn1nccc1SCCO 62a_100000211926_100000728327 [0,1,0,0,1,0|1,1,0]=4 2515 B11R1.18 CCn1nccc1SCCO 62a_100000728327_100000211926 [0,1,0,0,1,0|1,1,0]=4 2516 B11R1.18 CCn1nccc1SCOC 62a_100000728327_100000766300 [0,1,0,0,1,0|1,1,0]=4 2517 B11R1.18 CCn1nccc1SCOC 62a_100000766300_100000728327 [0,1,0,0,1,0|1,1,0]=4 2518 B11R1.18 CCn1nccc1SCSC 62a_100000728327_100011218213 [0,1,0,0,1,0|1,1,0]=4 2519 B11R1.18 CCn1nccc1SCSC 62a_100011218213_100000728327 [0,1,0,0,1,0|1,1,0]=4 2520 B11R1.18 CCn1ncnc1COCF 7a_100000728737_100015361967 [0,1,0,0,1,0|2,0,0]=4 2521 B11R1.18 CCn1ncnc1NCCO 27a_100000210304_100009879425 [0,1,0,0,1,0|2,0,0]=4 2522 B11R1.18 CCn1ncnc1SCCF 62a_100009879425_100011217306 [0,1,0,0,1,0|1,1,0]=4 2523 B11R1.18 CCn1ncnc1SCCF 62a_100011217306_100009879425 [0,1,0,0,1,0|1,1,0]=4 2524 B11R1.18 CCn1ncnc1SCCO 62a_100000211926_100009879425 [0,1,0,0,1,0|1,1,0]=4 2525 B11R1.18 CCn1ncnc1SCCO 62a_100009879425_100000211926 [0,1,0,0,1,0|1,1,0]=4 2526 B11R1.18 CCn1ncnc1SCOC 62a_100000766300_100009879425 [0,1,0,0,1,0|1,1,0]=4 2527 B11R1.18 CCn1ncnc1SCOC 62a_100009879425_100000766300 [0,1,0,0,1,0|1,1,0]=4 2528 B11R1.18 CCn1ncnc1SCSC 62a_100009879425_100011218213 [0,1,0,0,1,0|1,1,0]=4 2529 B11R1.18 CCn1ncnc1SCSC 62a_100011218213_100009879425 [0,1,0,0,1,0|1,1,0]=4 2530 B11R1.57 CCc1ccsc1SC(C)C 62a_100000210206_200009875468 [0,1,0,0,1,0|1,1,0]=4 2531 B11R1.57 CCc1ccsc1SC(C)C 62a_200009875468_100000210206 [0,1,0,0,1,0|1,1,0]=4 2532 B11R1.57 CCn1ccnc1SC(C)C 62a_100000210206_100011617267 [0,1,0,0,1,0|1,1,0]=4 2533 B11R1.57 CCn1ccnc1SC(C)C 62a_100011617267_100000210206 [0,1,0,0,1,0|1,1,0]=4 2534 B11R1.57 CCn1nccc1OC(C)C 34a_100012181048_100000210206 [0,1,0,0,1,0|1,0,0]=3 2535 B11R1.57 CCn1nccc1SC(C)C 62a_100000210206_100000728327 [0,1,0,0,1,0|1,1,0]=4 2536 B11R1.57 CCn1nccc1SC(C)C 62a_100000728327_100000210206 [0,1,0,0,1,0|1,1,0]=4 2537 B11R1.57 CCn1ncnc1NC(C)C 27a_100138425928_100009879425 [0,1,0,0,1,0|2,0,0]=4 2538 B11R1.57 CCn1ncnc1SC(C)C 62a_100000210206_100009879425 [0,1,0,0,1,0|1,1,0]=4 2539 B11R1.57 CCn1ncnc1SC(C)C 62a_100009879425_100000210206 [0,1,0,0,1,0|1,1,0]=4 2540 B11R1.109 CCCn1ccnc1CNC 207a_100102657272_100011628053 [0,1,0,0,1,0|2,0,0]=4 2541 B11R1.109 CCCn1ccnc1CNC 270004a_106832991635_100011628053 [0,1,0,0,1,0|2,0,0]=4 2542 B11R1.109 CCCn1nccc1CNC 207a_100102657272_100000708463 [0,1,0,0,1,0|2,0,0]=4 2543 B11R1.109 CCCn1nccc1CNC 270004a_106832991635_100000708463 [0,1,0,0,1,0|2,0,0]=4 2544 B11R1.109 CCSc1ccsc1CNC 62a_100000210202_100000767120 [0,1,0,0,1,0|1,1,0]=4 2545 B11R1.109 CCSc1ccsc1CNC 62a_100000767120_100000210202 [0,1,0,0,1,0|1,1,0]=4 2546 B11R1.109 CCSc1sccc1CNC 62a_100000210202_100009817074 [0,1,0,0,1,0|1,1,0]=4 2547 B11R1.109 CCSc1sccc1CNC 62a_100009817074_100000210202 [0,1,0,0,1,0|1,1,0]=4 2548 B11R1.183 CCSc1cn(nc1CC)C 62a_100000210202_100012396458 [0,1,0,0,1,0|1,1,0]=4 2549 B11R1.183 CCSc1cn(nc1CC)C 62a_100012396458_100000210202 [0,1,0,0,1,0|1,1,0]=4 2550 B11R1.193 CCNc1ccnn1C(C)C 27a_100015525214_100010264481 [0,1,0,0,1,0|2,0,0]=4 2551 B11R1.193 CCNc1ncnn1C(C)C 27a_100015525214_100009989917 [0,1,0,0,1,0|2,0,0]=4 2552 B11R1.193 CCSc1ccnn1C(C)C 62a_100000210202_100010264481 [0,1,0,0,1,0|1,1,0]=4 2553 B11R1.193 CCSc1ccnn1C(C)C 62a_100010264481_100000210202 [0,1,0,0,1,0|1,1,0]=4 2554 B11R1.193 CCSc1nccn1C(C)C 62a_100000210202_100009820211 [0,1,0,0,1,0|1,1,0]=4 2555 B11R1.193 CCSc1nccn1C(C)C 62a_100009820211_100000210202 [0,1,0,0,1,0|1,1,0]=4 2556 B11R1.193 CCSc1ncnn1C(C)C 62a_100000210202_100009989917 [0,1,0,0,1,0|1,1,0]=4 2557 B11R1.193 CCSc1ncnn1C(C)C 62a_100009989917_100000210202 [0,1,0,0,1,0|1,1,0]=4 2558 B13R1.51 CC(C)Oc1ncc(cc1S[13CH3])Br 62a_200010177600_200025704644 [0,2,0,0,0,0|2,0,0]=4 2559 B13R1.51 CC(C)Oc1ncc(cc1S[13CH3])Br 62a_200025704644_200010177600 [0,2,0,0,0,0|2,0,0]=4 2560 B13R1.51 CCc1cc(ccc1OC(C)C)Br 34a_100012338938_100000210206 [0,2,0,0,0,0|2,0,0]=4 2561 B13R1.51 CCc1cc(ccc1OC(C)C)Br 7a_100012338938_100000210206 [0,2,0,0,0,0|2,0,0]=4 2562 B13R1.51 CCc1cc(ccc1OC(C)C)C 34a_100009844793_100000210206 [0,2,0,0,0,0|2,0,0]=4 2563 B13R1.51 CCc1cc(ccc1OC(C)C)C 7a_100009844793_100000210206 [0,2,0,0,0,0|2,0,0]=4 2564 B13R1.51 CCc1cc(ccc1OC(C)C)F 34a_200000035566_100000210206 [0,2,0,0,0,0|2,0,0]=4 2565 B13R1.51 CCc1cc(ccc1OC(C)C)F 7a_200000035566_100000210206 [0,2,0,0,0,0|2,0,0]=4 2566 B13R1.51 CCc1nc(ccc1OC(C)C)C 34a_100000718140_100000210206 [0,2,0,0,0,0|1,0,0]=3 2567 B13R1.51 CCc1nc(ccc1OC(C)C)C 7a_100000718140_100000210206 [0,2,0,0,0,0|1,0,0]=3 2568 B13R1.51 COc1cc(cnc1OC(C)C)Cl 34a_200009845368_100000210206 [0,2,0,0,0,0|2,0,0]=4 2569 B13R1.51 COc1nc(ccc1OC(C)C)Br 34a_100010893133_100000210206 [0,2,0,0,0,0|2,0,0]=4 2570 B13R1.51 COc1nc(cnc1SC(C)C)Br 62a_100000210206_100010214903 [0,2,0,0,0,0|1,1,0]=4 2571 B13R1.51 COc1nc(cnc1SC(C)C)Br 62a_100010214903_100000210206 [0,2,0,0,0,0|1,1,0]=4 2572 B13R1.51 COc1nc(cnc1SC(C)C)N 62a_100000210206_100010128448 [0,2,0,0,0,0|1,1,0]=4 2573 B13R1.51 COc1nc(cnc1SC(C)C)N 62a_100010128448_100000210206 [0,2,0,0,0,0|1,1,0]=4 2574 B13R1.51 CSc1cc(cnc1OC(C)C)Br 62a_200000210301_200010177600 [0,2,0,0,0,0|2,0,0]=4 2575 B13R1.51 CSc1cc(cnc1OC(C)C)Br 62a_200010177600_200000210301 [0,2,0,0,0,0|2,0,0]=4 2576 B13R1.51 CSc1cc(cnc1OC(C)C)C 62a_200000210301_200012348018 [0,2,0,0,0,0|2,0,0]=4 2577 B13R1.51 CSc1cc(cnc1OC(C)C)C 62a_200012348018_200000210301 [0,2,0,0,0,0|2,0,0]=4 2578 B13R1.51 Cc1ccc(c(n1)CCl)OC(C)C 34a_100020630696_100000210206 [0,2,0,0,0,0|2,0,0]=4 2579 B13R1.51 Cc1ccc(c(n1)CCl)OC(C)C 7a_100020630696_100000210206 [0,2,0,0,0,0|2,0,0]=4 2580 B13R1.51 Cc1ccc(c(n1)CO)OC(C)C 34a_100000751967_100000210206 [0,2,0,0,0,0|2,0,0]=4 2581 B13R1.51 Cc1cnc(c(c1)S[13CH3])OC(C)C 62a_200012348018_200025704644 [0,2,0,0,0,0|2,0,0]=4 2582 B13R1.51 Cc1cnc(c(c1)S[13CH3])OC(C)C 62a_200025704644_200012348018 [0,2,0,0,0,0|2,0,0]=4 2583 B13R1.89 CCc1nccnc1C(=C(C)C)C 271570a_200000049429_100011995844 [0,2,0,0,0,0|1,0,1]=4 2584 B13R1.89 CCc1nccnc1N(C)C(C)C 27a_200000211004_100011995844 [0,2,0,0,0,0|1,0,0]=3 2585 B13R1.89 COc1nccnc1N(C)C(C)C 27a_200000211004_100009858322 [0,2,0,0,0,0|2,0,0]=4 2586 B13R1.91 C#CC(C)Nc1nccnc1CC 27a_100000707721_100011995844 [0,2,0,0,0,0|1,0,0]=3 2587 B13R1.91 C#CC(C)Nc1nccnc1OC 27a_100000707721_100009858322 [0,2,0,0,0,0|2,0,0]=4 2588 B13R1.91 C#CC(C)Oc1ccccc1CC 34a_100000210936_200000035995 [0,2,0,0,0,0|2,0,0]=4 2589 B13R1.91 C#CC(C)Oc1cccnc1CBr 34a_200020655725_200000035995 [0,2,0,0,0,0|2,0,0]=4 2590 B13R1.91 C#CC(C)Oc1cccnc1CO 34a_100000731849_200000035995 [0,2,0,0,0,0|2,0,0]=4 2591 B13R1.91 C#CC(C)Oc1cccnc1OC 34a_100000698397_200000035995 [0,2,0,0,0,0|2,0,0]=4 2592 B13R1.91 C#CC(C)Oc1ncccc1OC 34a_100025773188_200000035995 [0,2,0,0,0,0|2,0,0]=4 2593 B13R1.91 C#CC(C)Sc1cccnc1CC 62a_200000035995_100009877225 [0,2,0,0,0,0|1,1,0]=4 2594 B13R1.91 C#CC(C)Sc1nccnc1CC 62a_200000035995_100011995844 [0,2,0,0,0,0|0,1,0]=3 2595 B13R1.91 C#CC(C)Sc1nccnc1CN 62a_200000035995_100000729963 [0,2,0,0,0,0|1,1,0]=4 2596 B13R1.91 C#CC(C)Sc1nccnc1CO 62a_200000035995_100000057004 [0,2,0,0,0,0|1,1,0]=4 2597 B13R1.91 C#CC(C)Sc1nccnc1NC 62a_200000035995_100011529439 [0,2,0,0,0,0|1,1,0]=4 2598 B13R1.91 C#CC(C)Sc1nccnc1OC 62a_200000035995_100000749998 [0,2,0,0,0,0|1,1,0]=4 2599 B13R1.91 C=CC(C)Sc1cccnc1CC 62a_100011215867_100009877225 [0,2,0,0,0,0|1,1,0]=4 2600 B13R1.91 C=CC(C)Sc1nccnc1CC 62a_100011215867_100011995844 [0,2,0,0,0,0|0,1,0]=3 2601 B13R1.91 C=CC(C)Sc1nccnc1CN 62a_100011215867_100000729963 [0,2,0,0,0,0|1,1,0]=4 2602 B13R1.91 C=CC(C)Sc1nccnc1CO 62a_100011215867_100000057004 [0,2,0,0,0,0|1,1,0]=4 2603 B13R1.91 C=CC(C)Sc1nccnc1NC 62a_100011215867_100011529439 [0,2,0,0,0,0|1,1,0]=4 2604 B13R1.91 C=CC(C)Sc1nccnc1OC 62a_100011215867_100000749998 [0,2,0,0,0,0|1,1,0]=4 2605 B13R1.91 CC(C#N)Oc1cccnc1CBr 7a_200020655725_100000703298 [0,2,0,0,0,0|2,0,0]=4 2606 B13R1.91 CC(C#N)Sc1nccnc1CN 62a_100000703298_100000729963 [0,2,0,0,0,0|1,1,0]=4 2607 B13R1.91 CC(C#N)Sc1nccnc1CN 62a_100000729963_100000703298 [0,2,0,0,0,0|1,1,0]=4 2608 B13R1.91 CC(C#N)Sc1nccnc1CO 62a_100000057004_100000703298 [0,2,0,0,0,0|1,1,0]=4 2609 B13R1.91 CC(C#N)Sc1nccnc1CO 62a_100000703298_100000057004 [0,2,0,0,0,0|1,1,0]=4 2610 B13R1.91 CC(CO)Oc1cccnc1CBr 34a_200020655725_100012180447 [0,2,0,0,0,0|2,0,0]=4 2611 B13R1.91 CC(CO)Oc1cccnc1CBr 7a_200020655725_100012180447 [0,2,0,0,0,0|2,0,0]=4 2612 B13R1.91 CC(CO)Oc1cccnc1CO 34a_100000731849_100012180447 [0,2,0,0,0,0|2,0,0]=4 2613 B13R1.91 CC(CO)Sc1nccnc1CN 62a_100012180447_100000729963 [0,2,0,0,0,0|1,1,0]=4 2614 B13R1.91 CC(CO)Sc1nccnc1CO 62a_100012180447_100000057004 [0,2,0,0,0,0|1,1,0]=4 2615 B13R1.91 CCC(C)Oc1cccnc1CBr 34a_200020655725_100011215416 [0,2,0,0,0,0|2,0,0]=4 2616 B13R1.91 CCC(C)Oc1cccnc1CBr 7a_200020655725_100000758301 [0,2,0,0,0,0|2,0,0]=4 2617 B13R1.91 CCC(C)Oc1cccnc1CO 34a_100000731849_100011215416 [0,2,0,0,0,0|2,0,0]=4 2618 B13R1.91 CCC(C)Oc1cccnc1OC 34a_100000698397_100011215416 [0,2,0,0,0,0|2,0,0]=4 2619 B13R1.91 CCC(C)Oc1cccnc1OC 7a_100000698397_100000758301 [0,2,0,0,0,0|2,0,0]=4 2620 B13R1.91 CCC(C)Oc1ncccc1OC 34a_100025773188_100011215416 [0,2,0,0,0,0|2,0,0]=4 2621 B13R1.91 CCC(C)Sc1nccnc1CN 62a_100000729963_100000758301 [0,2,0,0,0,0|1,1,0]=4 2622 B13R1.91 CCC(C)Sc1nccnc1CN 62a_100000758301_100000729963 [0,2,0,0,0,0|1,1,0]=4 2623 B13R1.91 CCC(C)Sc1nccnc1CO 62a_100000057004_100000758301 [0,2,0,0,0,0|1,1,0]=4 2624 B13R1.91 CCC(C)Sc1nccnc1CO 62a_100000758301_100000057004 [0,2,0,0,0,0|1,1,0]=4 2625 B13R1.91 CCC(C)Sc1nccnc1NC 62a_100000758301_100011529439 [0,2,0,0,0,0|1,1,0]=4 2626 B13R1.91 CCC(C)Sc1nccnc1OC 62a_100000758301_100000749998 [0,2,0,0,0,0|1,1,0]=4 2627 B13R1.91 CCC(C)Sc1nccnc1OC 62a_100009858322_100000758301 [0,2,0,0,0,0|1,1,0]=4 2628 B13R1.91 CCc1ccccc1OC(C)C#N 7a_100000210936_100000703298 [0,2,0,0,0,0|2,0,0]=4 2629 B13R1.91 CCc1ccccc1OC(C)CC 34a_100000210936_100011215416 [0,2,0,0,0,0|2,0,0]=4 2630 B13R1.91 CCc1ccccc1OC(C)CC 7a_100000210936_100000758301 [0,2,0,0,0,0|2,0,0]=4 2631 B13R1.91 CCc1ccccc1OC(C)CO 34a_100000210936_100012180447 [0,2,0,0,0,0|2,0,0]=4 2632 B13R1.91 CCc1ccccc1OC(C)CO 7a_100000210936_100012180447 [0,2,0,0,0,0|2,0,0]=4 2633 B13R1.91 CCc1ncccc1SC(C)C#N 62a_100000703298_100009877225 [0,2,0,0,0,0|1,1,0]=4 2634 B13R1.91 CCc1ncccc1SC(C)C#N 62a_100009877225_100000703298 [0,2,0,0,0,0|1,1,0]=4 2635 B13R1.91 CCc1ncccc1SC(C)CC 62a_100000758301_100009877225 [0,2,0,0,0,0|1,1,0]=4 2636 B13R1.91 CCc1ncccc1SC(C)CC 62a_100009877225_100000758301 [0,2,0,0,0,0|1,1,0]=4 2637 B13R1.91 CCc1ncccc1SC(C)CO 62a_100012180447_100009877225 [0,2,0,0,0,0|1,1,0]=4 2638 B13R1.91 CCc1ncccc1SC(C)OC 62a_100009877225_100009879195 [0,2,0,0,0,0|1,1,0]=4 2639 B13R1.91 CCc1ncccc1SC(C)OC 62a_100009879195_100009877225 [0,2,0,0,0,0|1,1,0]=4 2640 B13R1.91 CCc1ncccc1S[C@H](C)CO 62a_100009877225_100016084084 [0,2,0,0,0,0|1,1,0]=4 2641 B13R1.91 CCc1ncccc1S[C@H](C)CO 62a_100016084084_100009877225 [0,2,0,0,0,0|1,1,0]=4 2642 B13R1.91 CCc1nccnc1N[C@H](C)CF 27a_100102880703_100011995844 [0,2,0,0,0,0|1,0,0]=3 2643 B13R1.91 CCc1nccnc1N[C@H](C)CO 27a_100000737577_100011995844 [0,2,0,0,0,0|1,0,0]=3 2644 B13R1.91 CCc1nccnc1SC(C)C#N 62a_100000703298_100011995844 [0,2,0,0,0,0|0,1,0]=3 2645 B13R1.91 CCc1nccnc1SC(C)C#N 62a_100011995844_100000703298 [0,2,0,0,0,0|0,1,0]=3 2646 B13R1.91 CCc1nccnc1SC(C)CC 62a_100000758301_100011995844 [0,2,0,0,0,0|0,1,0]=3 2647 B13R1.91 CCc1nccnc1SC(C)CC 62a_100011995844_100000758301 [0,2,0,0,0,0|0,1,0]=3 2648 B13R1.91 CCc1nccnc1SC(C)CO 62a_100012180447_100011995844 [0,2,0,0,0,0|0,1,0]=3 2649 B13R1.91 CCc1nccnc1SC(C)OC 62a_100009879195_100011995844 [0,2,0,0,0,0|0,1,0]=3 2650 B13R1.91 CCc1nccnc1SC(C)OC 62a_100011995844_100009879195 [0,2,0,0,0,0|0,1,0]=3 2651 B13R1.91 CCc1nccnc1SC(F)C#N 62a_100011995844_200000117898 [0,2,0,0,0,0|0,1,1]=4 2652 B13R1.91 CCc1nccnc1SC(F)C#N 62a_200000117898_100011995844 [0,2,0,0,0,0|0,1,1]=4 2653 B13R1.91 CCc1nccnc1S[C@H](C)CO 62a_100011995844_100016084084 [0,2,0,0,0,0|0,1,0]=3 2654 B13R1.91 CCc1nccnc1S[C@H](C)CO 62a_100016084084_100011995844 [0,2,0,0,0,0|0,1,0]=3 2655 B13R1.91 CNc1nccnc1SC(C)C#N 62a_100000703298_100011529439 [0,2,0,0,0,0|1,1,0]=4 2656 B13R1.91 CNc1nccnc1SC(C)CO 62a_100012180447_100011529439 [0,2,0,0,0,0|1,1,0]=4 2657 B13R1.91 CNc1nccnc1SC(C)OC 62a_100009879195_100011529439 [0,2,0,0,0,0|1,1,0]=4 2658 B13R1.91 CNc1nccnc1S[C@H](C)CO 62a_100016084084_100011529439 [0,2,0,0,0,0|1,1,0]=4 2659 B13R1.91 COC(C)Sc1nccnc1CN 62a_100000729963_100009879195 [0,2,0,0,0,0|1,1,0]=4 2660 B13R1.91 COC(C)Sc1nccnc1CN 62a_100009879195_100000729963 [0,2,0,0,0,0|1,1,0]=4 2661 B13R1.91 COC(C)Sc1nccnc1CO 62a_100000057004_100009879195 [0,2,0,0,0,0|1,1,0]=4 2662 B13R1.91 COC(C)Sc1nccnc1CO 62a_100009879195_100000057004 [0,2,0,0,0,0|1,1,0]=4 2663 B13R1.91 COc1cccnc1OC(C)CO 34a_100025773188_100012180447 [0,2,0,0,0,0|2,0,0]=4 2664 B13R1.91 COc1ncccc1OC(C)C#N 7a_100000698397_100000703298 [0,2,0,0,0,0|2,0,0]=4 2665 B13R1.91 COc1ncccc1OC(C)CO 34a_100000698397_100012180447 [0,2,0,0,0,0|2,0,0]=4 2666 B13R1.91 COc1ncccc1OC(C)CO 7a_100000698397_100012180447 [0,2,0,0,0,0|2,0,0]=4 2667 B13R1.91 COc1nccnc1N[C@H](C)CF 27a_100102880703_100009858322 [0,2,0,0,0,0|2,0,0]=4 2668 B13R1.91 COc1nccnc1N[C@H](C)CO 27a_100000737577_100009858322 [0,2,0,0,0,0|2,0,0]=4 2669 B13R1.91 COc1nccnc1SC(C)C#N 62a_100000703298_100000749998 [0,2,0,0,0,0|1,1,0]=4 2670 B13R1.91 COc1nccnc1SC(C)C#N 62a_100009858322_100000703298 [0,2,0,0,0,0|1,1,0]=4 2671 B13R1.91 COc1nccnc1SC(C)CO 62a_100012180447_100000749998 [0,2,0,0,0,0|1,1,0]=4 2672 B13R1.91 COc1nccnc1SC(C)OC 62a_100009858322_100009879195 [0,2,0,0,0,0|1,1,0]=4 2673 B13R1.91 COc1nccnc1SC(C)OC 62a_100009879195_100000749998 [0,2,0,0,0,0|1,1,0]=4 2674 B13R1.91 COc1nccnc1S[C@H](C)CO 62a_100009858322_100016084084 [0,2,0,0,0,0|1,1,0]=4 2675 B13R1.91 COc1nccnc1S[C@H](C)CO 62a_100016084084_100000749998 [0,2,0,0,0,0|1,1,0]=4 2676 B13R1.91 C[C@H](CO)Sc1nccnc1CN 62a_100000729963_100016084084 [0,2,0,0,0,0|1,1,0]=4 2677 B13R1.91 C[C@H](CO)Sc1nccnc1CN 62a_100016084084_100000729963 [0,2,0,0,0,0|1,1,0]=4 2678 B13R1.91 C[C@H](CO)Sc1nccnc1CO 62a_100000057004_100016084084 [0,2,0,0,0,0|1,1,0]=4 2679 B13R1.91 C[C@H](CO)Sc1nccnc1CO 62a_100016084084_100000057004 [0,2,0,0,0,0|1,1,0]=4 2680 B13R1.380 CC(C)Oc1ccccc1CCBr 34a_100000722297_100000210206 [0,2,0,0,0,0|2,0,0]=4 2681 B13R1.380 CC(C)Oc1ccccc1CCBr 7a_100000722297_100000210206 [0,2,0,0,0,0|2,0,0]=4 2682 B13R1.380 CC(C)Oc1ccccc1CCN 34a_100011207237_100000210206 [0,2,0,0,0,0|2,0,0]=4 2683 B13R1.380 CC(C)Oc1ccccc1CCO 34a_100000719421_100000210206 [0,2,0,0,0,0|2,0,0]=4 2684 B13R1.380 CC(C)Oc1ccccc1CCO 7a_100000719421_100000210206 [0,2,0,0,0,0|2,0,0]=4 2685 B13R1.380 CC(C)Oc1ccccc1CN[13CH3] 2230a_100000188901_200025704644 [0,2,0,0,0,0|2,0,0]=4 2686 B13R1.380 CC(C)Oc1ccccc1CN[13CH3] 34a_100000188901_200025704644 [0,2,0,0,0,0|2,0,0]=4 2687 B13R1.380 CC(C)Oc1ccccc1CO[13CH3] 34a_100000708705_200025704644 [0,2,0,0,0,0|2,0,0]=4 2688 B13R1.380 CC(C)Oc1ccccc1CO[13CH3] 7a_100000708705_200025704644 [0,2,0,0,0,0|2,0,0]=4 2689 B13R1.380 CC(C)Oc1ncccc1CN[13CH3] 2230a_100000740383_200025704644 [0,2,0,0,0,0|1,0,0]=3 2690 B13R1.380 CC(C)Oc1ncccc1SCF 62a_100015361967_200011465186 [0,2,0,0,0,0|2,0,0]=4 2691 B13R1.380 CC(C)Oc1ncccc1SCF 62a_200011465186_100015361967 [0,2,0,0,0,0|2,0,0]=4 2692 B13R1.380 CC=Cc1cccnc1OC(C)C 271570a_100016259895_200011465186 [0,2,0,0,0,0|1,0,1]=4 2693 B13R1.380 CCCc1ccccc1OC(C)C 34a_100011217252_100000210206 [0,2,0,0,0,0|2,0,0]=4 2694 B13R1.380 CCCc1ccccc1OC(C)C 7a_100011217252_100000210206 [0,2,0,0,0,0|2,0,0]=4 2695 B13R1.380 CCNc1ccccc1OC(C)C 2230a_100000739276_100000210202 [0,2,0,0,0,0|2,0,0]=4 2696 B13R1.380 CCNc1ccccc1OC(C)C 34a_100000739276_100000210202 [0,2,0,0,0,0|2,0,0]=4 2697 B13R1.380 CCNc1ccccc1OC(C)C 34a_103624766699_100000210206 [0,2,0,0,0,0|2,0,0]=4 2698 B13R1.380 CCNc1ccccc1OC(C)C 7a_103624766699_100000210206 [0,2,0,0,0,0|2,0,0]=4 2699 B13R1.380 CCOc1ccccc1CC(=O)C 1458a_100011247627_200000210301 [0,2,0,0,0,0|2,0,0]=4 2700 B13R1.380 CCOc1ccccc1CC(=O)[13CH3] 1458a_100011247627_200025704644 [0,2,0,0,0,0|2,0,0]=4 2701 B13R1.380 CCOc1ccccc1CN(C)C 2230a_100000742257_200000210301 [0,2,0,0,0,0|2,0,0]=4 2702 B13R1.380 CCOc1ccccc1CN(C)C 269982a_100000742257_200000210301 [0,2,0,0,0,0|2,0,0]=4 2703 B13R1.380 CCOc1ccccc1CN(C)C 270004a_100102631434_100000169843 [0,2,0,0,0,0|2,0,0]=4 2704 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 2230a_100000742257_200025704644 [0,2,0,0,0,0|2,0,0]=4 2705 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 269982a_100000742257_200025704644 [0,2,0,0,0,0|2,0,0]=4 2706 B13R1.380 CCOc1ccccc1NC(C)C 34a_100000211218_100000210206 [0,2,0,0,0,0|2,0,0]=4 2707 B13R1.380 CCOc1ccccc1OC(C)C 34a_100000211404_100000210206 [0,2,0,0,0,0|2,0,0]=4 2708 B13R1.380 CCOc1ccccc1OC(C)C 34a_100011218612_100000210202 [0,2,0,0,0,0|2,0,0]=4 2709 B13R1.380 CCOc1ccccc1OC(C)C 7a_100000211404_100000210206 [0,2,0,0,0,0|2,0,0]=4 2710 B13R1.380 CCOc1ccccc1OC(C)C 7a_100011218612_100000210202 [0,2,0,0,0,0|2,0,0]=4 2711 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000210206_100000230754 [0,2,0,0,0,0|2,0,0]=4 2712 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000230754_100000210206 [0,2,0,0,0,0|2,0,0]=4 2713 B13R1.380 CCOc1cccnc1C=C(C)C 271570a_100102525489_100011597540 [0,2,0,0,0,0|1,0,1]=4 2714 B13R1.380 CCOc1cccnc1CN(C)C 270004a_100102631434_100009876934 [0,2,0,0,0,0|1,0,0]=3 2715 B13R1.380 CCOc1cccnc1NC(=O)C 34a_200000022013_100000210202 [0,2,0,0,0,0|1,0,1]=4 2716 B13R1.380 CCOc1cccnc1NC(=O)C 7a_200000022013_100000210202 [0,2,0,0,0,0|1,0,1]=4 2717 B13R1.380 CCOc1cccnc1SC(C)C 62a_100000210206_100011597540 [0,2,0,0,0,0|1,0,0]=3 2718 B13R1.380 CCOc1cccnc1SC(C)C 62a_100011597540_100000210206 [0,2,0,0,0,0|1,0,0]=3 2719 B13R1.380 CCOc1ncccc1C=C(C)C 271570a_100102525489_100011465154 [0,2,0,0,0,0|1,0,1]=4 2720 B13R1.380 CCOc1ncccc1CN(C)C 270004a_100102631434_100011290805 [0,2,0,0,0,0|1,0,0]=3 2721 B13R1.380 CCOc1ncccc1OC(C)C 34a_100011998697_100000210206 [0,2,0,0,0,0|1,0,0]=3 2722 B13R1.380 CCOc1ncccc1SC(C)C 62a_100000210206_100011465154 [0,2,0,0,0,0|1,0,0]=3 2723 B13R1.380 CCOc1ncccc1SC(C)C 62a_100011465154_100000210206 [0,2,0,0,0,0|1,0,0]=3 2724 B13R1.380 CCOc1nccnc1C=C(C)C 271570a_100102525489_200010128176 [0,2,0,0,0,0|0,0,1]=3 2725 B13R1.380 CCOc1nccnc1NC(C)C 27a_100138425928_200010128176 [0,2,0,0,0,0|0,0,0]=2 2726 B13R1.380 CCOc1nccnc1SC(C)C 62a_100000210206_200010128176 [0,2,0,0,0,0|0,0,0]=2 2727 B13R1.380 CCOc1nccnc1SC(C)C 62a_200010128176_100000210206 [0,2,0,0,0,0|0,0,0]=2 2728 B13R1.380 CCSc1ccccc1OC(C)C 62a_100000173919_100000210202 [0,2,0,0,0,0|2,0,0]=4 2729 B13R1.380 CCSc1ccccc1OC(C)C 62a_100000210202_100000173919 [0,2,0,0,0,0|2,0,0]=4 2730 B13R1.380 CCSc1cccnc1OC(C)C 62a_100000210202_200011465186 [0,2,0,0,0,0|1,0,0]=3 2731 B13R1.380 CCSc1cccnc1OC(C)C 62a_200011465186_100000210202 [0,2,0,0,0,0|1,0,0]=3 2732 B13R1.380 CCSc1ncccc1OC(=O)C 62a_100000210202_200009815371 [0,2,0,0,0,0|1,0,1]=4 2733 B13R1.380 CCSc1ncccc1OC(=O)C 62a_200009815371_100000210202 [0,2,0,0,0,0|1,0,1]=4 2734 B13R1.380 CCSc1ncccc1OC(F)F 62a_100000210202_100000697348 [0,2,0,0,0,0|2,0,0]=4 2735 B13R1.380 CCSc1ncccc1OC(F)F 62a_100000697348_100000210202 [0,2,0,0,0,0|2,0,0]=4 2736 B13R1.380 CNCc1ccccc1OC(C)C 207a_100102657272_100000169844 [0,2,0,0,0,0|2,0,0]=4 2737 B13R1.380 CNCc1ccccc1OC(C)C 2230a_100000188901_200000210301 [0,2,0,0,0,0|2,0,0]=4 2738 B13R1.380 CNCc1ccccc1OC(C)C 270004a_106832991635_100000169844 [0,2,0,0,0,0|2,0,0]=4 2739 B13R1.380 CNCc1ccccc1OC(C)C 34a_100000188901_200000210301 [0,2,0,0,0,0|2,0,0]=4 2740 B13R1.380 CNCc1ccccc1OC(C)C 34a_100015189988_100000210206 [0,2,0,0,0,0|2,0,0]=4 2741 B13R1.380 CNCc1cccnc1OC(C)C 207a_100102657272_100011290806 [0,2,0,0,0,0|1,0,0]=3 2742 B13R1.380 CNCc1cccnc1OC(C)C 2230a_100000740383_200000210301 [0,2,0,0,0,0|1,0,0]=3 2743 B13R1.380 CNCc1cccnc1OC(C)C 270004a_106832991635_100011290806 [0,2,0,0,0,0|1,0,0]=3 2744 B13R1.380 CNCc1cccnc1SC(C)C 62a_100000210206_103496529121 [0,2,0,0,0,0|1,1,0]=4 2745 B13R1.380 CNCc1cccnc1SC(C)C 62a_103496529121_100000210206 [0,2,0,0,0,0|1,1,0]=4 2746 B13R1.380 COCc1ccccc1OC(C)C 34a_100000708705_200000210301 [0,2,0,0,0,0|2,0,0]=4 2747 B13R1.380 COCc1ccccc1OC(C)C 34a_100011488565_100000210206 [0,2,0,0,0,0|2,0,0]=4 2748 B13R1.380 COCc1ccccc1OC(C)C 7a_100000708705_200000210301 [0,2,0,0,0,0|2,0,0]=4 2749 B13R1.380 COCc1ccccc1OC(C)C 7a_100011488565_100000210206 [0,2,0,0,0,0|2,0,0]=4 2750 B13R1.589 C=C(C)c1cccnc1OC(C)C 271570a_100000694244_200011465186 [0,2,0,0,0,0|1,0,1]=4 2751 B13R1.589 CC(=O)c1ncccc1OC(C)C 34a_100000087166_100000210206 [0,2,0,0,0,0|1,0,1]=4 2752 B13R1.589 CC(=O)c1ncccc1OC(C)C 7a_100000087166_100000210206 [0,2,0,0,0,0|1,0,1]=4 2753 B13R1.589 CC(=O)c1nccnc1NC(C)C 27a_100138425928_100000099859 [0,2,0,0,0,0|1,0,1]=4 2754 B13R1.589 CC(=O)c1nccnc1SC(C)C 62a_100000099859_100000210206 [0,2,0,0,0,0|0,1,1]=4 2755 B13R1.589 CC(=O)c1nccnc1SC(C)C 62a_100000210206_100000099859 [0,2,0,0,0,0|0,1,1]=4 2756 B13R1.589 CC(C)Nc1nccnc1N(C)C 27a_100138425928_100000703087 [0,2,0,0,0,0|2,0,0]=4 2757 B13R1.589 CC(C)Oc1ccccc1C(C)C 34a_100000211617_100000210206 [0,2,0,0,0,0|2,0,0]=4 2758 B13R1.589 CC(C)Oc1ccccc1C(C)C 7a_100000211617_100000210206 [0,2,0,0,0,0|2,0,0]=4 2759 B13R1.589 CC(C)Oc1ccccc1C(C)O 34a_200011232679_100000210206 [0,2,0,0,0,0|2,0,0]=4 2760 B13R1.589 CC(C)Oc1ccccc1C(C)O 7a_200011232679_100000210206 [0,2,0,0,0,0|2,0,0]=4 2761 B13R1.589 CC(C)Oc1ccccc1[C@@H](C)N 34a_100025703389_100000210206 [0,2,0,0,0,0|2,0,0]=4 2762 B13R1.589 CC(C)Oc1cccnc1C(C)C 34a_100012183336_100000210206 [0,2,0,0,0,0|1,0,0]=3 2763 B13R1.589 CC(C)Oc1cccnc1C(C)C 7a_100012183336_100000210206 [0,2,0,0,0,0|1,0,0]=3 2764 B13R1.589 CC(C)Oc1nccnc1C(=O)N 34a_100011830332_100000210206 [0,2,0,0,0,0|1,0,1]=4 2765 B13R1.589 CC(C)Sc1cccnc1C(C)N 62a_100000210206_100159271932 [0,2,0,0,0,0|1,1,0]=4 2766 B13R1.589 CC(C)Sc1cccnc1C(C)N 62a_100159271932_100000210206 [0,2,0,0,0,0|1,1,0]=4 2767 B13R1.589 CC(C)Sc1cccnc1[C@H](C)O 62a_100000210206_100013325542 [0,2,0,0,0,0|1,1,0]=4 2768 B13R1.589 CC(C)Sc1cccnc1[C@H](C)O 62a_100013325542_100000210206 [0,2,0,0,0,0|1,1,0]=4 2769 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_100000210206_200010382935 [0,2,0,0,0,0|1,1,0]=4 2770 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_200010382935_100000210206 [0,2,0,0,0,0|1,1,0]=4 2771 B13R1.589 CC(C)Sc1ncccc1C(C)O 62a_100000210206_100009865335 [0,2,0,0,0,0|1,1,0]=4 2772 B13R1.589 CC(C)Sc1ncccc1C(C)O 62a_100009865335_100000210206 [0,2,0,0,0,0|1,1,0]=4 2773 B13R1.589 CC(C)Sc1nccnc1N(C)C 62a_100000210206_100000703087 [0,2,0,0,0,0|1,1,0]=4 2774 B13R1.622 CC(C)(C)Oc1cccnc1CBr 34a_200020655725_100000210625 [0,2,0,0,0,0|2,0,0]=4 2775 B13R1.622 CC(C)(C)Oc1cccnc1CO 34a_100000731849_100000210625 [0,2,0,0,0,0|2,0,0]=4 2776 B13R1.622 CC(C)(C)Oc1ncccc1S[13CH3] 62a_100011465193_200025704644 [0,2,0,0,0,0|2,0,0]=4 2777 B13R1.622 CC(C)(C)Oc1ncccc1S[13CH3] 62a_200025704644_100011465193 [0,2,0,0,0,0|2,0,0]=4 2778 B13R1.622 CC(C)(C)Sc1nccnc1CN 62a_100000211941_100000729963 [0,2,0,0,0,0|1,1,0]=4 2779 B13R1.622 CC(C)(C)Sc1nccnc1CN 62a_100000729963_100000211941 [0,2,0,0,0,0|1,1,0]=4 2780 B13R1.622 CC(C)(C)Sc1nccnc1CO 62a_100000057004_100000211941 [0,2,0,0,0,0|1,1,0]=4 2781 B13R1.622 CC(C)(C)Sc1nccnc1CO 62a_100000211941_100000057004 [0,2,0,0,0,0|1,1,0]=4 2782 B13R1.622 CCc1ccccc1OC(C)(C)C 34a_100000210936_100000210625 [0,2,0,0,0,0|2,0,0]=4 2783 B13R1.622 CCc1ncccc1SC(C)(C)C 62a_100000211941_100009877225 [0,2,0,0,0,0|1,1,0]=4 2784 B13R1.622 CCc1ncccc1SC(C)(C)C 62a_100009877225_100000211941 [0,2,0,0,0,0|1,1,0]=4 2785 B13R1.622 CCc1nccnc1SC(C)(C)C 62a_100000211941_100011995844 [0,2,0,0,0,0|0,1,0]=3 2786 B13R1.622 CCc1nccnc1SC(C)(C)C 62a_100011995844_100000211941 [0,2,0,0,0,0|0,1,0]=3 2787 B13R1.622 CCc1nccnc1SC(F)(F)F 62a_100011995844_200103152311 [0,2,0,0,0,0|1,1,0]=4 2788 B13R1.622 CCc1nccnc1SC(F)(F)F 62a_200000243211_100011995844 [0,2,0,0,0,0|1,1,0]=4 2789 B13R1.622 CNc1nccnc1SC(C)(C)C 62a_100000211941_100011529439 [0,2,0,0,0,0|1,1,0]=4 2790 B13R1.622 COc1cccnc1OC(C)(C)C 34a_100025773188_100000210625 [0,2,0,0,0,0|2,0,0]=4 2791 B13R1.622 COc1ncccc1OC(C)(C)C 34a_100000698397_100000210625 [0,2,0,0,0,0|2,0,0]=4 2792 B13R1.622 COc1nccnc1SC(C)(C)C 62a_100000211941_100000749998 [0,2,0,0,0,0|1,1,0]=4 2793 B13R1.622 COc1nccnc1SC(C)(C)C 62a_100009858322_100000211941 [0,2,0,0,0,0|1,1,0]=4 2794 B13R1.622 CSc1cccnc1OC(C)(C)C 62a_100011465193_200000210301 [0,2,0,0,0,0|2,0,0]=4 2795 B13R1.622 CSc1cccnc1OC(C)(C)C 62a_200000210301_100011465193 [0,2,0,0,0,0|2,0,0]=4 2796 B13R1.2135 CCc1cccc(c1OC(C)C)Br 34a_200010001580_100000210206 [0,2,0,0,0,0|2,0,0]=4 2797 B13R1.2135 CCc1cccc(c1OC(C)C)Br 7a_200010001580_100000210206 [0,2,0,0,0,0|2,0,0]=4 2798 B13R1.2135 CCc1cccc(c1OC(C)C)C 34a_100000034007_100000210206 [0,2,0,0,0,0|2,0,0]=4 2799 B13R1.2135 CCc1cccc(c1OC(C)C)C 7a_100000034007_100000210206 [0,2,0,0,0,0|2,0,0]=4 2800 B13R1.2135 CCc1occc(=O)c1OC(C)C 34a_100000033269_100000210206 [0,2,0,0,0,0|2,0,0]=4 2801 B13R1.3089 CCc1ncc(cc1SC(C)C)N 62a_100000210206_100013085292 [0,2,0,0,0,0|1,1,0]=4 2802 B13R1.3089 CCc1ncc(cc1SC(C)C)N 62a_100013085292_100000210206 [0,2,0,0,0,0|1,1,0]=4 2803 B13R1.3089 COc1ncc(cc1OC(C)C)Br 34a_100010135713_100000210206 [0,2,0,0,0,0|2,0,0]=4 2804 B13R1.92 CCN(CC)c1nccnc1OC 27a_100000724800_100009858322 [0,2,0,0,0,0|2,0,0]=4 2805 B13R1.92 CCc1nccnc1N(CC)CC 27a_100000724800_100011995844 [0,2,0,0,0,0|1,0,0]=3 2806 B13R1.382 CCNc1nccnc1C(=O)OC 27a_100015525214_100000079898 [0,2,0,0,0,0|1,0,1]=4 2807 B13R1.382 CCOc1ccccc1C(=O)CC 1458a_100000211144_100000210202 [0,2,0,0,0,0|2,0,0]=4 2808 B13R1.382 CCOc1ccccc1C(=O)CC 7a_100000184720_100000210202 [0,2,0,0,0,0|2,0,0]=4 2809 B13R1.382 CCOc1ccccc1C(C)CC 7a_100000211618_100000210202 [0,2,0,0,0,0|2,0,0]=4 2810 B13R1.382 CCOc1ccccc1C(C)NC 2230a_100000737537_200000210301 [0,2,0,0,0,0|2,0,0]=4 2811 B13R1.382 CCOc1ccccc1C(C)NC 269862a_106832991636_100000172999 [0,2,0,0,0,0|2,0,0]=4 2812 B13R1.382 CCOc1ccccc1C(C)N[13CH3] 2230a_100000737537_200025704644 [0,2,0,0,0,0|2,0,0]=4 2813 B13R1.382 CCOc1ccccc1C(C)OC 7a_100000246524_200000210301 [0,2,0,0,0,0|2,0,0]=4 2814 B13R1.382 CCOc1ccccc1C(C)O[13CH3] 7a_100000246524_200025704644 [0,2,0,0,0,0|2,0,0]=4 2815 B13R1.382 CCOc1cccnc1C(=O)NC 34a_100011376092_100000210202 [0,2,0,0,0,0|1,0,1]=4 2816 B13R1.382 CCOc1cccnc1C(=O)NC 7a_100011376092_100000210202 [0,2,0,0,0,0|1,0,1]=4 2817 B13R1.382 CCOc1cccnc1C(=O)OC 34a_100000744052_100000210202 [0,2,0,0,0,0|1,0,1]=4 2818 B13R1.382 CCOc1cccnc1C(=O)OC 7a_100000744052_100000210202 [0,2,0,0,0,0|1,0,1]=4 2819 B13R1.382 CCOc1ncccc1C(C)NC 269862a_106832991636_100012039643 [0,2,0,0,0,0|1,0,0]=3 2820 B13R1.382 CCSc1cccnc1[C@H](C)OC 62a_100000210202_106256553109 [0,2,0,0,0,0|1,1,0]=4 2821 B13R1.382 CCSc1cccnc1[C@H](C)OC 62a_106256553109_100000210202 [0,2,0,0,0,0|1,1,0]=4 2822 B13R1.382 CCSc1nccnc1C(=O)OC 62a_100000210202_100000079898 [0,2,0,0,0,0|0,1,1]=4 2823 B13R1.382 CCSc1nccnc1C(=O)OC 62a_100000688410_100000210202 [0,2,0,0,0,0|0,1,1]=4 2824 B13R1.464 C#CCN(C)c1nccnc1CC 27a_100000225692_100011995844 [0,2,0,0,0,0|1,0,1]=4 2825 B13R1.464 CCCN(C)c1nccnc1CC 27a_100000747261_100011995844 [0,2,0,0,0,0|1,0,0]=3 2826 B13R1.464 CCCN(C)c1nccnc1OC 27a_100000747261_100009858322 [0,2,0,0,0,0|2,0,0]=4 2827 B13R1.464 CCNC(C)c1nccnc1CC 269862a_100015525214_100000033879 [0,2,0,0,0,0|1,0,0]=3 2828 B13R1.464 CCOC(=O)c1cccnc1NC 27a_100102657272_100000170124 [0,2,0,0,0,0|2,0,0]=4 2829 B13R1.464 CCOC(=O)c1cccnc1SC 62a_100011291640_200000210301 [0,2,0,0,0,0|2,0,0]=4 2830 B13R1.464 CCOC(=O)c1cccnc1SC 62a_200000210301_100000170124 [0,2,0,0,0,0|2,0,0]=4 2831 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_100011291640_200025704644 [0,2,0,0,0,0|2,0,0]=4 2832 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000170124 [0,2,0,0,0,0|2,0,0]=4 2833 B13R1.464 CCOC(=O)c1ncccc1OC 7a_200011376064_200000210301 [0,2,0,0,0,0|2,0,0]=4 2834 B13R1.464 CCOC(=O)c1ncccc1O[13CH3] 7a_200011376064_200025704644 [0,2,0,0,0,0|2,0,0]=4 2835 B13R1.464 CCOC(=O)c1ncccc1SC 62a_100012351660_200000210301 [0,2,0,0,0,0|2,0,0]=4 2836 B13R1.464 CCOC(=O)c1ncccc1SC 62a_200000210301_100012351660 [0,2,0,0,0,0|2,0,0]=4 2837 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_100012351660_200025704644 [0,2,0,0,0,0|2,0,0]=4 2838 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012351660 [0,2,0,0,0,0|2,0,0]=4 2839 B13R1.464 CCOC(=O)c1nccnc1NC 27a_100102657272_100000085455 [0,2,0,0,0,0|1,0,0]=3 2840 B13R1.464 CCOC(=O)c1nccnc1SC 62a_200000210301_100000085455 [0,2,0,0,0,0|1,0,0]=3 2841 B13R1.464 CCOC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000085455 [0,2,0,0,0,0|1,0,0]=3 2842 B13R1.464 CCc1nccnc1N(C)CCO 27a_100000210263_100011995844 [0,2,0,0,0,0|1,0,0]=3 2843 B13R1.464 COc1nccnc1N(C)CCO 27a_100000210263_100009858322 [0,2,0,0,0,0|2,0,0]=4 2844 B13R1.73 C#CCOc1ccc(nc1CC)C 34a_100000718140_100000184674 [0,2,0,0,0,0|1,0,1]=4 2845 B13R1.73 C#CCOc1ccc(nc1CC)C 7a_100000718140_100000038162 [0,2,0,0,0,0|1,0,1]=4 2846 B13R1.73 C=CCOc1ccc(nc1CC)C 34a_100000718140_100015514636 [0,2,0,0,0,0|1,0,1]=4 2847 B13R1.73 C=CCOc1ccc(nc1CC)C 7a_100000718140_100015514636 [0,2,0,0,0,0|1,0,1]=4 2848 B13R1.73 CCCCc1ncc(nc1OC)Br 271570a_100020621405_100010214903 [0,2,0,0,0,0|2,0,0]=4 2849 B13R1.73 CCCCc1ncc(nc1OC)N 271570a_100020621405_100010128448 [0,2,0,0,0,0|2,0,0]=4 2850 B13R1.73 CCCOc1ccc(cc1CC)Br 34a_100012338938_100000210303 [0,2,0,0,0,0|2,0,0]=4 2851 B13R1.73 CCCOc1ccc(cc1CC)Br 7a_100012338938_100000210303 [0,2,0,0,0,0|2,0,0]=4 2852 B13R1.73 CCCOc1ccc(cc1CC)C 34a_100009844793_100000210303 [0,2,0,0,0,0|2,0,0]=4 2853 B13R1.73 CCCOc1ccc(cc1CC)C 7a_100009844793_100000210303 [0,2,0,0,0,0|2,0,0]=4 2854 B13R1.73 CCCOc1ccc(cc1CC)F 34a_200000035566_100000210303 [0,2,0,0,0,0|2,0,0]=4 2855 B13R1.73 CCCOc1ccc(cc1CC)F 7a_200000035566_100000210303 [0,2,0,0,0,0|2,0,0]=4 2856 B13R1.73 CCCOc1ccc(nc1CC)C 34a_100000718140_100000210303 [0,2,0,0,0,0|1,0,0]=3 2857 B13R1.73 CCCOc1ccc(nc1CC)C 7a_100000718140_100000210303 [0,2,0,0,0,0|1,0,0]=3 2858 B13R1.73 CCCOc1ccc(nc1CCl)C 34a_100020630696_100000210303 [0,2,0,0,0,0|2,0,0]=4 2859 B13R1.73 CCCOc1ccc(nc1CCl)C 7a_100020630696_100000210303 [0,2,0,0,0,0|2,0,0]=4 2860 B13R1.73 CCCOc1ccc(nc1CO)C 34a_100000751967_100000210303 [0,2,0,0,0,0|2,0,0]=4 2861 B13R1.73 CCCOc1ccc(nc1OC)Br 34a_100010893133_100000210303 [0,2,0,0,0,0|2,0,0]=4 2862 B13R1.73 CCCOc1ncc(cc1OC)Cl 34a_200009845368_100000210303 [0,2,0,0,0,0|2,0,0]=4 2863 B13R1.73 CCCOc1ncc(cc1SC)C 62a_100013847041_200000210301 [0,2,0,0,0,0|2,0,0]=4 2864 B13R1.73 CCCOc1ncc(cc1SC)C 62a_200000210301_100013847041 [0,2,0,0,0,0|2,0,0]=4 2865 B13R1.73 CCCOc1ncc(cc1S[13CH3])C 62a_100013847041_200025704644 [0,2,0,0,0,0|2,0,0]=4 2866 B13R1.73 CCCOc1ncc(cc1S[13CH3])C 62a_200025704644_100013847041 [0,2,0,0,0,0|2,0,0]=4 2867 B13R1.73 CCCSc1ncc(nc1OC)Br 62a_100000210303_100010214903 [0,2,0,0,0,0|1,1,0]=4 2868 B13R1.73 CCCSc1ncc(nc1OC)Br 62a_100010214903_100000210303 [0,2,0,0,0,0|1,1,0]=4 2869 B13R1.73 CCCSc1ncc(nc1OC)N 62a_100000210303_100010128448 [0,2,0,0,0,0|1,1,0]=4 2870 B13R1.73 CCCSc1ncc(nc1OC)N 62a_100010128448_100000210303 [0,2,0,0,0,0|1,1,0]=4 2871 B13R1.73 CCOCc1ccc(nc1OC)Br 34a_100010988397_100000210202 [0,2,0,0,0,0|2,0,0]=4 2872 B13R1.73 CCOCc1ccc(nc1OC)Br 34a_100121572206_100016029037 [0,2,0,0,0,0|2,0,0]=4 2873 B13R1.73 CCOCc1ccc(nc1OC)Cl 34a_200009869906_100000210202 [0,2,0,0,0,0|2,0,0]=4 2874 B13R1.73 CCOCc1ncc(cc1OC)Br 34a_200010246159_100000210202 [0,2,0,0,0,0|2,0,0]=4 2875 B13R1.73 CCOCc1ncc(cc1OC)Br 7a_200010246159_100000210202 [0,2,0,0,0,0|2,0,0]=4 2876 B13R1.73 CCc1cc(ccc1OCCF)Br 34a_100012338938_100011217306 [0,2,0,0,0,0|2,0,0]=4 2877 B13R1.73 CCc1cc(ccc1OCCF)Br 7a_100012338938_100011217306 [0,2,0,0,0,0|2,0,0]=4 2878 B13R1.73 CCc1cc(ccc1OCCF)C 34a_100009844793_100011217306 [0,2,0,0,0,0|2,0,0]=4 2879 B13R1.73 CCc1cc(ccc1OCCF)C 7a_100009844793_100011217306 [0,2,0,0,0,0|2,0,0]=4 2880 B13R1.73 CCc1cc(ccc1OCCF)F 34a_200000035566_100011217306 [0,2,0,0,0,0|2,0,0]=4 2881 B13R1.73 CCc1cc(ccc1OCCF)F 7a_200000035566_100011217306 [0,2,0,0,0,0|2,0,0]=4 2882 B13R1.73 CCc1cc(ccc1OCCO)Br 34a_100012338938_100000211926 [0,2,0,0,0,0|2,0,0]=4 2883 B13R1.73 CCc1cc(ccc1OCCO)Br 7a_100012338938_100000211926 [0,2,0,0,0,0|2,0,0]=4 2884 B13R1.73 CCc1cc(ccc1OCCO)C 34a_100009844793_100000211926 [0,2,0,0,0,0|2,0,0]=4 2885 B13R1.73 CCc1cc(ccc1OCCO)C 7a_100009844793_100000211926 [0,2,0,0,0,0|2,0,0]=4 2886 B13R1.73 CCc1cc(ccc1OCCO)F 34a_200000035566_100000211926 [0,2,0,0,0,0|2,0,0]=4 2887 B13R1.73 CCc1cc(ccc1OCCO)F 7a_200000035566_100000211926 [0,2,0,0,0,0|2,0,0]=4 2888 B13R1.73 CCc1cc(ccc1OCSC)Br 34a_100012338938_100011218213 [0,2,0,0,0,0|2,0,0]=4 2889 B13R1.73 CCc1cc(ccc1OCSC)C 34a_100009844793_100011218213 [0,2,0,0,0,0|2,0,0]=4 2890 B13R1.73 CCc1cc(ccc1OCSC)F 34a_200000035566_100011218213 [0,2,0,0,0,0|2,0,0]=4 2891 B13R1.73 CCc1nc(ccc1OCC#N)C 7a_100000718140_100011215382 [0,2,0,0,0,0|1,0,1]=4 2892 B13R1.73 CCc1nc(ccc1OCC=O)C 34a_100000718140_200009817547 [0,2,0,0,0,0|1,0,1]=4 2893 B13R1.73 CCc1nc(ccc1OCC=O)C 7a_100000718140_200015260668 [0,2,0,0,0,0|1,0,1]=4 2894 B13R1.73 CCc1nc(ccc1OCCF)C 34a_100000718140_100011217306 [0,2,0,0,0,0|1,0,0]=3 2895 B13R1.73 CCc1nc(ccc1OCCF)C 7a_100000718140_100011217306 [0,2,0,0,0,0|1,0,0]=3 2896 B13R1.73 CCc1nc(ccc1OCCO)C 34a_100000718140_100000211926 [0,2,0,0,0,0|1,0,0]=3 2897 B13R1.73 CCc1nc(ccc1OCCO)C 7a_100000718140_100000211926 [0,2,0,0,0,0|1,0,0]=3 2898 B13R1.73 CCc1nc(ccc1OCSC)C 34a_100000718140_100011218213 [0,2,0,0,0,0|1,0,0]=3 2899 B13R1.73 COCSc1ncc(nc1OC)Br 62a_100000766300_100010214903 [0,2,0,0,0,0|1,1,0]=4 2900 B13R1.73 COCSc1ncc(nc1OC)Br 62a_100010214903_100000766300 [0,2,0,0,0,0|1,1,0]=4 2901 B13R1.73 COCSc1ncc(nc1OC)N 62a_100000766300_100010128448 [0,2,0,0,0,0|1,1,0]=4 2902 B13R1.73 COCSc1ncc(nc1OC)N 62a_100010128448_100000766300 [0,2,0,0,0,0|1,1,0]=4 2903 B13R1.73 COc1cc(cnc1OCCF)Cl 34a_200009845368_100011217306 [0,2,0,0,0,0|2,0,0]=4 2904 B13R1.73 COc1cc(cnc1OCCO)Cl 34a_200009845368_100000211926 [0,2,0,0,0,0|2,0,0]=4 2905 B13R1.73 COc1cc(cnc1OCSC)Cl 34a_200009845368_100011218213 [0,2,0,0,0,0|2,0,0]=4 2906 B13R1.73 COc1nc(ccc1OCCF)Br 34a_100010893133_100011217306 [0,2,0,0,0,0|2,0,0]=4 2907 B13R1.73 COc1nc(ccc1OCCO)Br 34a_100010893133_100000211926 [0,2,0,0,0,0|2,0,0]=4 2908 B13R1.73 COc1nc(ccc1OCSC)Br 34a_100010893133_100011218213 [0,2,0,0,0,0|2,0,0]=4 2909 B13R1.73 COc1nc(cnc1SCCF)Br 62a_100010214903_100011217306 [0,2,0,0,0,0|1,1,0]=4 2910 B13R1.73 COc1nc(cnc1SCCF)Br 62a_100011217306_100010214903 [0,2,0,0,0,0|1,1,0]=4 2911 B13R1.73 COc1nc(cnc1SCCF)N 62a_100010128448_100011217306 [0,2,0,0,0,0|1,1,0]=4 2912 B13R1.73 COc1nc(cnc1SCCF)N 62a_100011217306_100010128448 [0,2,0,0,0,0|1,1,0]=4 2913 B13R1.73 COc1nc(cnc1SCCO)Br 62a_100000211926_100010214903 [0,2,0,0,0,0|1,1,0]=4 2914 B13R1.73 COc1nc(cnc1SCCO)Br 62a_100010214903_100000211926 [0,2,0,0,0,0|1,1,0]=4 2915 B13R1.73 COc1nc(cnc1SCCO)N 62a_100000211926_100010128448 [0,2,0,0,0,0|1,1,0]=4 2916 B13R1.73 COc1nc(cnc1SCCO)N 62a_100010128448_100000211926 [0,2,0,0,0,0|1,1,0]=4 2917 B13R1.73 COc1nc(cnc1SCSC)Br 62a_100010214903_100011218213 [0,2,0,0,0,0|1,1,0]=4 2918 B13R1.73 COc1nc(cnc1SCSC)Br 62a_100011218213_100010214903 [0,2,0,0,0,0|1,1,0]=4 2919 B13R1.73 COc1nc(cnc1SCSC)N 62a_100010128448_100011218213 [0,2,0,0,0,0|1,1,0]=4 2920 B13R1.73 COc1nc(cnc1SCSC)N 62a_100011218213_100010128448 [0,2,0,0,0,0|1,1,0]=4 2921 B13R1.73 CSCOc1ccc(nc1CCl)C 34a_100020630696_100011218213 [0,2,0,0,0,0|2,0,0]=4 2922 B13R1.73 CSCOc1ccc(nc1CO)C 34a_100000751967_100011218213 [0,2,0,0,0,0|2,0,0]=4 2923 B13R1.73 Cc1ccc(c(n1)CCl)OCCF 34a_100020630696_100011217306 [0,2,0,0,0,0|2,0,0]=4 2924 B13R1.73 Cc1ccc(c(n1)CCl)OCCF 7a_100020630696_100011217306 [0,2,0,0,0,0|2,0,0]=4 2925 B13R1.73 Cc1ccc(c(n1)CCl)OCCO 34a_100020630696_100000211926 [0,2,0,0,0,0|2,0,0]=4 2926 B13R1.73 Cc1ccc(c(n1)CCl)OCCO 7a_100020630696_100000211926 [0,2,0,0,0,0|2,0,0]=4 2927 B13R1.73 Cc1ccc(c(n1)CO)OCCF 34a_100000751967_100011217306 [0,2,0,0,0,0|2,0,0]=4 2928 B13R1.73 Cc1ccc(c(n1)CO)OCCO 34a_100000751967_100000211926 [0,2,0,0,0,0|2,0,0]=4 2929 B13R1.141 C=C(C)c1cc(cnc1OCC)Br 271570a_100000694244_200010177599 [0,2,0,0,0,0|1,0,1]=4 2930 B13R1.141 CCOc1ccc(cc1C(C)C)Br 34a_100000691460_100000210202 [0,2,0,0,0,0|2,0,0]=4 2931 B13R1.141 CCOc1ccc(cc1C(C)C)Br 7a_100000691460_100000210202 [0,2,0,0,0,0|2,0,0]=4 2932 B13R1.141 CCOc1ccc(cc1C(C)O)F 34a_200011305312_100000210202 [0,2,0,0,0,0|2,0,0]=4 2933 B13R1.141 CCOc1ccc(cc1C(C)O)F 7a_200011305312_100000210202 [0,2,0,0,0,0|2,0,0]=4 2934 B13R1.141 CCOc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_100000210202 [0,2,0,0,0,0|2,0,0]=4 2935 B13R1.141 CCOc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_100000210202 [0,2,0,0,0,0|2,0,0]=4 2936 B13R1.141 CCOc1ccc(cc1[C@H](C)N)F 34a_100160469477_100000210202 [0,2,0,0,0,0|2,0,0]=4 2937 B13R1.141 CCOc1ccc(cc1[C@H](C)N)F 7a_100160469477_100000210202 [0,2,0,0,0,0|2,0,0]=4 2938 B13R1.1248 CC=Cc1cc(cnc1OCC)Br 271570a_100016259895_200010177599 [0,2,0,0,0,0|1,0,1]=4 2939 B13R1.1248 CCNc1cc(ccc1OCC)Br 2230a_100000751366_100000210202 [0,2,0,0,0,0|2,0,0]=4 2940 B13R1.1248 CCNc1cc(ccc1OCC)Br 34a_100000751366_100000210202 [0,2,0,0,0,0|2,0,0]=4 2941 B13R1.1248 CCNc1cc(ccc1OCC)C 2230a_100011202655_100000210202 [0,2,0,0,0,0|2,0,0]=4 2942 B13R1.1248 CCNc1cc(ccc1OCC)C 34a_100011202655_100000210202 [0,2,0,0,0,0|2,0,0]=4 2943 B13R1.1248 CCNc1cc(ccc1OCC)Cl 2230a_100000742605_100000210202 [0,2,0,0,0,0|2,0,0]=4 2944 B13R1.1248 CCNc1cc(ccc1OCC)Cl 34a_100000742605_100000210202 [0,2,0,0,0,0|2,0,0]=4 2945 B13R1.1248 CCNc1ccc(cc1OCC)Br 2230a_100000688918_100000210202 [0,2,0,0,0,0|2,0,0]=4 2946 B13R1.1248 CCNc1ccc(cc1OCC)Br 34a_100000688918_100000210202 [0,2,0,0,0,0|2,0,0]=4 2947 B13R1.1248 CCNc1ccc(cc1OCC)C 2230a_100000742043_100000210202 [0,2,0,0,0,0|2,0,0]=4 2948 B13R1.1248 CCNc1ccc(cc1OCC)C 34a_100000742043_100000210202 [0,2,0,0,0,0|2,0,0]=4 2949 B13R1.1248 CCNc1ccc(cc1OCC)Cl 34a_100000687649_100000210202 [0,2,0,0,0,0|2,0,0]=4 2950 B13R1.1248 CCNc1ccc(cc1OCC)F 2230a_100000741351_100000210202 [0,2,0,0,0,0|2,0,0]=4 2951 B13R1.1248 CCNc1ccc(cc1OCC)F 34a_100000741351_100000210202 [0,2,0,0,0,0|2,0,0]=4 2952 B13R1.1248 CCOc1cc(ccc1SCC)C 62a_100000210202_200010713166 [0,2,0,0,0,0|2,0,0]=4 2953 B13R1.1248 CCOc1cc(ccc1SCC)C 62a_200010713166_100000210202 [0,2,0,0,0,0|2,0,0]=4 2954 B13R1.1248 CCOc1cc(ccc1SCC)F 62a_100000210202_200012340411 [0,2,0,0,0,0|2,0,0]=4 2955 B13R1.1248 CCOc1cc(ccc1SCC)F 62a_200012340411_100000210202 [0,2,0,0,0,0|2,0,0]=4 2956 B13R1.1248 CCOc1cc(ccc1SCC)N 62a_100000210202_200016990551 [0,2,0,0,0,0|2,0,0]=4 2957 B13R1.1248 CCOc1cc(ccc1SCC)N 62a_200016990551_100000210202 [0,2,0,0,0,0|2,0,0]=4 2958 B13R1.1248 CCOc1ccc(cc1CNC)Br 207a_100102657272_100000170027 [0,2,0,0,0,0|2,0,0]=4 2959 B13R1.1248 CCOc1ccc(cc1CNC)Br 270004a_106832991635_100000170027 [0,2,0,0,0,0|2,0,0]=4 2960 B13R1.1248 CCOc1ccc(cc1CNC)Br 34a_100011602694_100000210202 [0,2,0,0,0,0|2,0,0]=4 2961 B13R1.1248 CCOc1ccc(cc1CNC)Cl 207a_100102657272_100000187702 [0,2,0,0,0,0|2,0,0]=4 2962 B13R1.1248 CCOc1ccc(cc1CNC)Cl 270004a_106832991635_100000187702 [0,2,0,0,0,0|2,0,0]=4 2963 B13R1.1248 CCOc1ccc(cc1CNC)Cl 34a_100000712467_100000210202 [0,2,0,0,0,0|2,0,0]=4 2964 B13R1.1248 CCOc1ccc(cc1CNC)F 34a_114855342409_100000210202 [0,2,0,0,0,0|2,0,0]=4 2965 B13R1.1248 CCOc1ccc(cc1CNC)O 271570a_203496583355_100015187135 [0,2,0,0,0,0|2,0,0]=4 2966 B13R1.1248 CCOc1ccc(cc1COC)F 34a_100135391359_100000210202 [0,2,0,0,0,0|2,0,0]=4 2967 B13R1.1248 CCOc1ccc(cc1COC)F 7a_100135391359_100000210202 [0,2,0,0,0,0|2,0,0]=4 2968 B13R1.1248 CCOc1ccc(cc1OCC)C 34a_200000034294_100000210202 [0,2,0,0,0,0|2,0,0]=4 2969 B13R1.1248 CCOc1ccc(cc1OCC)C 7a_200000034294_100000210202 [0,2,0,0,0,0|2,0,0]=4 2970 B13R1.1248 CCOc1ccc(cc1SCC)C 62a_100000210202_200000230997 [0,2,0,0,0,0|2,0,0]=4 2971 B13R1.1248 CCOc1ccc(cc1SCC)C 62a_200000230997_100000210202 [0,2,0,0,0,0|2,0,0]=4 2972 B13R1.1248 CCOc1ccc(cc1SCC)F 62a_100000171695_100000210202 [0,2,0,0,0,0|2,0,0]=4 2973 B13R1.1248 CCOc1ccc(cc1SCC)F 62a_100000210202_100000171695 [0,2,0,0,0,0|2,0,0]=4 2974 B13R1.1248 CCOc1ncc(cc1SCC)Br 62a_100000210202_200010177599 [0,2,0,0,0,0|1,0,0]=3 2975 B13R1.1248 CCOc1ncc(cc1SCC)Br 62a_200010177599_100000210202 [0,2,0,0,0,0|1,0,0]=3 2976 B13R1.1248 CCOc1ncc(cc1SCF)Br 62a_100015361967_200010177599 [0,2,0,0,0,0|2,0,0]=4 2977 B13R1.1248 CCOc1ncc(cc1SCF)Br 62a_200010177599_100015361967 [0,2,0,0,0,0|2,0,0]=4 2978 B13R1.1249 C=Cc1ccc(c(c1)CC)OCC 271570a_100011290941_200010070707 [0,2,0,0,0,0|2,0,0]=4 2979 B13R1.1249 C=Cc1cnc(c(c1)OC)OCC 271570a_100011290941_200010116856 [0,2,0,0,0,0|2,0,0]=4 2980 B13R1.1249 CCOc1ccc(cc1CC)SC 62a_200000210301_200010070707 [0,2,0,0,0,0|2,0,0]=4 2981 B13R1.1249 CCOc1ccc(cc1CC)SC 62a_200010070707_200000210301 [0,2,0,0,0,0|2,0,0]=4 2982 B13R1.1249 CCOc1ccc(cc1CC)S[13CH3] 62a_200010070707_200025704644 [0,2,0,0,0,0|2,0,0]=4 2983 B13R1.1249 CCOc1ccc(cc1CC)S[13CH3] 62a_200025704644_200010070707 [0,2,0,0,0,0|2,0,0]=4 2984 B13R1.1249 CCOc1ccc(nc1OC)OC 34a_100000085135_100000210202 [0,2,0,0,0,0|2,0,0]=4 2985 B13R1.1249 CCOc1ncc(cc1OC)SC 62a_200000210301_200010116856 [0,2,0,0,0,0|2,0,0]=4 2986 B13R1.1249 CCOc1ncc(cc1OC)S[13CH3] 62a_200025704644_200010116856 [0,2,0,0,0,0|2,0,0]=4 2987 B13R1.3944 CCOc1c(cc(cc1CC)Br)C 34a_100010659108_100000210202 [0,2,0,0,0,0|2,0,0]=4 2988 B13R1.3944 CCOc1c(cc(cc1CC)Br)C 7a_100010659108_100000210202 [0,2,0,0,0,0|2,0,0]=4 2989 B13R1.84 C#CCCNc1nccnc1CC 27a_100000755551_100011995844 [0,2,0,0,0,0|1,0,0]=3 2990 B13R1.84 C#CCCNc1nccnc1OC 27a_100000755551_100009858322 [0,2,0,0,0,0|2,0,0]=4 2991 B13R1.84 C#CCCOc1ccccc1CC 34a_100000210936_100000688953 [0,2,0,0,0,0|2,0,0]=4 2992 B13R1.84 C#CCCOc1ccccc1CC 7a_100000210936_100000688953 [0,2,0,0,0,0|2,0,0]=4 2993 B13R1.84 C#CCCOc1cccnc1CBr 34a_200020655725_100000688953 [0,2,0,0,0,0|2,0,0]=4 2994 B13R1.84 C#CCCOc1cccnc1CBr 7a_200020655725_100000688953 [0,2,0,0,0,0|2,0,0]=4 2995 B13R1.84 C#CCCOc1cccnc1CO 34a_100000731849_100000688953 [0,2,0,0,0,0|2,0,0]=4 2996 B13R1.84 C#CCCOc1cccnc1OC 34a_100000698397_100000688953 [0,2,0,0,0,0|2,0,0]=4 2997 B13R1.84 C#CCCOc1cccnc1OC 7a_100000698397_100000688953 [0,2,0,0,0,0|2,0,0]=4 2998 B13R1.84 C#CCCOc1ncccc1OC 34a_100025773188_100000688953 [0,2,0,0,0,0|2,0,0]=4 2999 B13R1.84 C#CCCSc1cccnc1CC 62a_100000688953_100009877225 [0,2,0,0,0,0|1,1,0]=4 3000 B13R1.84 C#CCCSc1cccnc1CC 62a_100009877225_100000688953 [0,2,0,0,0,0|1,1,0]=4 3001 B13R1.84 C#CCCSc1nccnc1CC 62a_100000688953_100011995844 [0,2,0,0,0,0|0,1,0]=3 3002 B13R1.84 C#CCCSc1nccnc1CC 62a_100011995844_100000688953 [0,2,0,0,0,0|0,1,0]=3 3003 B13R1.84 C#CCCSc1nccnc1CN 62a_100000688953_100000729963 [0,2,0,0,0,0|1,1,0]=4 3004 B13R1.84 C#CCCSc1nccnc1CN 62a_100000729963_100000688953 [0,2,0,0,0,0|1,1,0]=4 3005 B13R1.84 C#CCCSc1nccnc1CO 62a_100000057004_100000688953 [0,2,0,0,0,0|1,1,0]=4 3006 B13R1.84 C#CCCSc1nccnc1CO 62a_100000688953_100000057004 [0,2,0,0,0,0|1,1,0]=4 3007 B13R1.84 C#CCCSc1nccnc1NC 62a_100000688953_100011529439 [0,2,0,0,0,0|1,1,0]=4 3008 B13R1.84 C#CCCSc1nccnc1OC 62a_100000688953_100000749998 [0,2,0,0,0,0|1,1,0]=4 3009 B13R1.84 C#CCCSc1nccnc1OC 62a_100009858322_100000688953 [0,2,0,0,0,0|1,1,0]=4 3010 B13R1.84 C/C=C/COc1ccccc1CC 34a_100000210936_100102629194 [0,2,0,0,0,0|2,0,0]=4 3011 B13R1.84 C/C=C/COc1ccccc1CC 7a_100000210936_100102629194 [0,2,0,0,0,0|2,0,0]=4 3012 B13R1.84 C/C=C/COc1cccnc1CBr 34a_200020655725_100102629194 [0,2,0,0,0,0|2,0,0]=4 3013 B13R1.84 C/C=C/COc1cccnc1CBr 7a_200020655725_100102629194 [0,2,0,0,0,0|2,0,0]=4 3014 B13R1.84 C/C=C/COc1cccnc1CO 34a_100000731849_100102629194 [0,2,0,0,0,0|2,0,0]=4 3015 B13R1.84 C/C=C/COc1cccnc1OC 34a_100000698397_100102629194 [0,2,0,0,0,0|2,0,0]=4 3016 B13R1.84 C/C=C/COc1cccnc1OC 7a_100000698397_100102629194 [0,2,0,0,0,0|2,0,0]=4 3017 B13R1.84 C/C=C/COc1ncccc1OC 34a_100025773188_100102629194 [0,2,0,0,0,0|2,0,0]=4 3018 B13R1.84 C/C=C/CSc1cccnc1CC 62a_100009877225_100102629194 [0,2,0,0,0,0|1,1,0]=4 3019 B13R1.84 C/C=C/CSc1cccnc1CC 62a_100102629194_100009877225 [0,2,0,0,0,0|1,1,0]=4 3020 B13R1.84 C/C=C/CSc1nccnc1CC 62a_100011995844_100102629194 [0,2,0,0,0,0|0,1,0]=3 3021 B13R1.84 C/C=C/CSc1nccnc1CC 62a_100102629194_100011995844 [0,2,0,0,0,0|0,1,0]=3 3022 B13R1.84 C/C=C/CSc1nccnc1CN 62a_100000729963_100102629194 [0,2,0,0,0,0|1,1,0]=4 3023 B13R1.84 C/C=C/CSc1nccnc1CN 62a_100102629194_100000729963 [0,2,0,0,0,0|1,1,0]=4 3024 B13R1.84 C/C=C/CSc1nccnc1CO 62a_100000057004_100102629194 [0,2,0,0,0,0|1,1,0]=4 3025 B13R1.84 C/C=C/CSc1nccnc1CO 62a_100102629194_100000057004 [0,2,0,0,0,0|1,1,0]=4 3026 B13R1.84 C/C=C/CSc1nccnc1NC 62a_100102629194_100011529439 [0,2,0,0,0,0|1,1,0]=4 3027 B13R1.84 C/C=C/CSc1nccnc1OC 62a_100009858322_100102629194 [0,2,0,0,0,0|1,1,0]=4 3028 B13R1.84 C/C=C/CSc1nccnc1OC 62a_100102629194_100000749998 [0,2,0,0,0,0|1,1,0]=4 3029 B13R1.84 C=CCCNc1nccnc1CC 27a_100015191253_100011995844 [0,2,0,0,0,0|1,0,0]=3 3030 B13R1.84 C=CCCNc1nccnc1OC 27a_100015191253_100009858322 [0,2,0,0,0,0|2,0,0]=4 3031 B13R1.84 C=CCCOc1ccccc1CC 34a_100000210936_100000754431 [0,2,0,0,0,0|2,0,0]=4 3032 B13R1.84 C=CCCOc1ccccc1CC 7a_100000210936_100000754431 [0,2,0,0,0,0|2,0,0]=4 3033 B13R1.84 C=CCCOc1cccnc1CBr 34a_200020655725_100000754431 [0,2,0,0,0,0|2,0,0]=4 3034 B13R1.84 C=CCCOc1cccnc1CBr 7a_200020655725_100000754431 [0,2,0,0,0,0|2,0,0]=4 3035 B13R1.84 C=CCCOc1cccnc1CO 34a_100000731849_100000754431 [0,2,0,0,0,0|2,0,0]=4 3036 B13R1.84 C=CCCOc1cccnc1OC 34a_100000698397_100000754431 [0,2,0,0,0,0|2,0,0]=4 3037 B13R1.84 C=CCCOc1cccnc1OC 7a_100000698397_100000754431 [0,2,0,0,0,0|2,0,0]=4 3038 B13R1.84 C=CCCOc1ncccc1OC 34a_100025773188_100000754431 [0,2,0,0,0,0|2,0,0]=4 3039 B13R1.84 C=CCCSc1cccnc1CC 62a_100000754431_100009877225 [0,2,0,0,0,0|1,1,0]=4 3040 B13R1.84 C=CCCSc1cccnc1CC 62a_100009877225_100000754431 [0,2,0,0,0,0|1,1,0]=4 3041 B13R1.84 C=CCCSc1nccnc1CC 62a_100000754431_100011995844 [0,2,0,0,0,0|0,1,0]=3 3042 B13R1.84 C=CCCSc1nccnc1CC 62a_100011995844_100000754431 [0,2,0,0,0,0|0,1,0]=3 3043 B13R1.84 C=CCCSc1nccnc1CN 62a_100000729963_100000754431 [0,2,0,0,0,0|1,1,0]=4 3044 B13R1.84 C=CCCSc1nccnc1CN 62a_100000754431_100000729963 [0,2,0,0,0,0|1,1,0]=4 3045 B13R1.84 C=CCCSc1nccnc1CO 62a_100000057004_100000754431 [0,2,0,0,0,0|1,1,0]=4 3046 B13R1.84 C=CCCSc1nccnc1CO 62a_100000754431_100000057004 [0,2,0,0,0,0|1,1,0]=4 3047 B13R1.84 C=CCCSc1nccnc1NC 62a_100000754431_100011529439 [0,2,0,0,0,0|1,1,0]=4 3048 B13R1.84 C=CCCSc1nccnc1OC 62a_100000754431_100000749998 [0,2,0,0,0,0|1,1,0]=4 3049 B13R1.84 C=CCCSc1nccnc1OC 62a_100009858322_100000754431 [0,2,0,0,0,0|1,1,0]=4 3050 B13R1.84 CC#CCNc1nccnc1CC 27a_100000685387_100011995844 [0,2,0,0,0,0|1,0,0]=3 3051 B13R1.84 CC#CCNc1nccnc1OC 27a_100000685387_100009858322 [0,2,0,0,0,0|2,0,0]=4 3052 B13R1.84 CC#CCOc1ccccc1CC 34a_100000210936_100000748600 [0,2,0,0,0,0|2,0,0]=4 3053 B13R1.84 CC#CCOc1ccccc1CC 7a_100000210936_100000748600 [0,2,0,0,0,0|2,0,0]=4 3054 B13R1.84 CC#CCOc1cccnc1CBr 34a_200020655725_100000748600 [0,2,0,0,0,0|2,0,0]=4 3055 B13R1.84 CC#CCOc1cccnc1CBr 7a_200020655725_100000748600 [0,2,0,0,0,0|2,0,0]=4 3056 B13R1.84 CC#CCOc1cccnc1CO 34a_100000731849_100000748600 [0,2,0,0,0,0|2,0,0]=4 3057 B13R1.84 CC#CCOc1cccnc1OC 34a_100000698397_100000748600 [0,2,0,0,0,0|2,0,0]=4 3058 B13R1.84 CC#CCOc1cccnc1OC 7a_100000698397_100000748600 [0,2,0,0,0,0|2,0,0]=4 3059 B13R1.84 CC#CCOc1ncccc1OC 34a_100025773188_100000748600 [0,2,0,0,0,0|2,0,0]=4 3060 B13R1.84 CC#CCSc1cccnc1CC 62a_100000748600_100009877225 [0,2,0,0,0,0|1,1,0]=4 3061 B13R1.84 CC#CCSc1cccnc1CC 62a_100009877225_100000748600 [0,2,0,0,0,0|1,1,0]=4 3062 B13R1.84 CC#CCSc1nccnc1CC 62a_100000748600_100011995844 [0,2,0,0,0,0|0,1,0]=3 3063 B13R1.84 CC#CCSc1nccnc1CC 62a_100011995844_100000748600 [0,2,0,0,0,0|0,1,0]=3 3064 B13R1.84 CC#CCSc1nccnc1CN 62a_100000729963_100000748600 [0,2,0,0,0,0|1,1,0]=4 3065 B13R1.84 CC#CCSc1nccnc1CN 62a_100000748600_100000729963 [0,2,0,0,0,0|1,1,0]=4 3066 B13R1.84 CC#CCSc1nccnc1CO 62a_100000057004_100000748600 [0,2,0,0,0,0|1,1,0]=4 3067 B13R1.84 CC#CCSc1nccnc1CO 62a_100000748600_100000057004 [0,2,0,0,0,0|1,1,0]=4 3068 B13R1.84 CC#CCSc1nccnc1NC 62a_100000748600_100011529439 [0,2,0,0,0,0|1,1,0]=4 3069 B13R1.84 CC#CCSc1nccnc1OC 62a_100000748600_100000749998 [0,2,0,0,0,0|1,1,0]=4 3070 B13R1.84 CC#CCSc1nccnc1OC 62a_100009858322_100000748600 [0,2,0,0,0,0|1,1,0]=4 3071 B13R1.84 CC=CCOc1ccccc1CC 34a_100000210936_100000070051 [0,2,0,0,0,0|2,0,0]=4 3072 B13R1.84 CC=CCOc1ccccc1CC 7a_100000210936_100000070051 [0,2,0,0,0,0|2,0,0]=4 3073 B13R1.84 CC=CCOc1cccnc1CBr 34a_200020655725_100000070051 [0,2,0,0,0,0|2,0,0]=4 3074 B13R1.84 CC=CCOc1cccnc1CBr 7a_200020655725_100000070051 [0,2,0,0,0,0|2,0,0]=4 3075 B13R1.84 CC=CCOc1cccnc1CO 34a_100000731849_100000070051 [0,2,0,0,0,0|2,0,0]=4 3076 B13R1.84 CC=CCOc1cccnc1OC 34a_100000698397_100000070051 [0,2,0,0,0,0|2,0,0]=4 3077 B13R1.84 CC=CCOc1cccnc1OC 7a_100000698397_100000070051 [0,2,0,0,0,0|2,0,0]=4 3078 B13R1.84 CC=CCOc1ncccc1OC 34a_100025773188_100000070051 [0,2,0,0,0,0|2,0,0]=4 3079 B13R1.84 CC=CCSc1cccnc1CC 62a_100000070051_100009877225 [0,2,0,0,0,0|1,1,0]=4 3080 B13R1.84 CC=CCSc1cccnc1CC 62a_100009877225_100000070051 [0,2,0,0,0,0|1,1,0]=4 3081 B13R1.84 CC=CCSc1nccnc1CC 62a_100000070051_100011995844 [0,2,0,0,0,0|0,1,0]=3 3082 B13R1.84 CC=CCSc1nccnc1CC 62a_100011995844_100000070051 [0,2,0,0,0,0|0,1,0]=3 3083 B13R1.84 CC=CCSc1nccnc1CN 62a_100000070051_100000729963 [0,2,0,0,0,0|1,1,0]=4 3084 B13R1.84 CC=CCSc1nccnc1CN 62a_100000729963_100000070051 [0,2,0,0,0,0|1,1,0]=4 3085 B13R1.84 CC=CCSc1nccnc1CO 62a_100000057004_100000070051 [0,2,0,0,0,0|1,1,0]=4 3086 B13R1.84 CC=CCSc1nccnc1CO 62a_100000070051_100000057004 [0,2,0,0,0,0|1,1,0]=4 3087 B13R1.84 CC=CCSc1nccnc1NC 62a_100000070051_100011529439 [0,2,0,0,0,0|1,1,0]=4 3088 B13R1.84 CC=CCSc1nccnc1OC 62a_100000070051_100000749998 [0,2,0,0,0,0|1,1,0]=4 3089 B13R1.84 CC=CCSc1nccnc1OC 62a_100009858322_100000070051 [0,2,0,0,0,0|1,1,0]=4 3090 B13R1.84 CCC=NNc1nccnc1OC 4a_100000702116_100000210100 [0,2,0,0,0,0|2,0,0]=4 3091 B13R1.84 CCCC=Cc1cccnc1CC 271570a_100016258520_100009877225 [0,2,0,0,0,0|2,0,0]=4 3092 B13R1.84 CCCC=Cc1nccnc1CC 271570a_100016258520_100011995844 [0,2,0,0,0,0|1,0,0]=3 3093 B13R1.84 CCCC=Cc1nccnc1CN 271570a_100016258520_100000729963 [0,2,0,0,0,0|2,0,0]=4 3094 B13R1.84 CCCC=Cc1nccnc1CO 271570a_100016258520_100000057004 [0,2,0,0,0,0|2,0,0]=4 3095 B13R1.84 CCCC=Cc1nccnc1NC 271570a_100016258520_100011529439 [0,2,0,0,0,0|2,0,0]=4 3096 B13R1.84 CCCC=Cc1nccnc1OC 271570a_100016258520_100000749998 [0,2,0,0,0,0|2,0,0]=4 3097 B13R1.84 CCCCNc1nccnc1CC 27a_100000102301_100011995844 [0,2,0,0,0,0|1,0,0]=3 3098 B13R1.84 CCCCNc1nccnc1OC 27a_100000102301_100009858322 [0,2,0,0,0,0|2,0,0]=4 3099 B13R1.84 CCCCOc1ccccc1CC 34a_100000210936_100000210210 [0,2,0,0,0,0|2,0,0]=4 3100 B13R1.84 CCCCOc1ccccc1CC 7a_100000210936_100000210211 [0,2,0,0,0,0|2,0,0]=4 3101 B13R1.84 CCCCOc1cccnc1CBr 34a_200020655725_100000210210 [0,2,0,0,0,0|2,0,0]=4 3102 B13R1.84 CCCCOc1cccnc1CBr 7a_200020655725_100000210211 [0,2,0,0,0,0|2,0,0]=4 3103 B13R1.84 CCCCOc1cccnc1CO 34a_100000731849_100000210210 [0,2,0,0,0,0|2,0,0]=4 3104 B13R1.84 CCCCOc1cccnc1OC 34a_100000698397_100000210210 [0,2,0,0,0,0|2,0,0]=4 3105 B13R1.84 CCCCOc1cccnc1OC 7a_100000698397_100000210211 [0,2,0,0,0,0|2,0,0]=4 3106 B13R1.84 CCCCOc1ncccc1OC 34a_100025773188_100000210210 [0,2,0,0,0,0|2,0,0]=4 3107 B13R1.84 CCCCSc1cccnc1CC 62a_100000210211_100009877225 [0,2,0,0,0,0|1,1,0]=4 3108 B13R1.84 CCCCSc1cccnc1CC 62a_100009877225_100000210210 [0,2,0,0,0,0|1,1,0]=4 3109 B13R1.84 CCCCSc1nccnc1CC 62a_100000210211_100011995844 [0,2,0,0,0,0|0,1,0]=3 3110 B13R1.84 CCCCSc1nccnc1CC 62a_100011995844_100000210210 [0,2,0,0,0,0|0,1,0]=3 3111 B13R1.84 CCCCSc1nccnc1CN 62a_100000210211_100000729963 [0,2,0,0,0,0|1,1,0]=4 3112 B13R1.84 CCCCSc1nccnc1CN 62a_100000729963_100000210210 [0,2,0,0,0,0|1,1,0]=4 3113 B13R1.84 CCCCSc1nccnc1CO 62a_100000057004_100000210210 [0,2,0,0,0,0|1,1,0]=4 3114 B13R1.84 CCCCSc1nccnc1CO 62a_100000210211_100000057004 [0,2,0,0,0,0|1,1,0]=4 3115 B13R1.84 CCCCSc1nccnc1NC 62a_100000210211_100011529439 [0,2,0,0,0,0|1,1,0]=4 3116 B13R1.84 CCCCSc1nccnc1OC 62a_100000210211_100000749998 [0,2,0,0,0,0|1,1,0]=4 3117 B13R1.84 CCCCSc1nccnc1OC 62a_100009858322_100000210210 [0,2,0,0,0,0|1,1,0]=4 3118 B13R1.84 CCCOCc1ccccc1CC 34a_100011663872_100000210303 [0,2,0,0,0,0|2,0,0]=4 3119 B13R1.84 CCCOCc1ccccc1CC 7a_100011663872_100000210303 [0,2,0,0,0,0|2,0,0]=4 3120 B13R1.84 CCCOCc1cccnc1OC 34a_100000210258_100020631285 [0,2,0,0,0,0|2,0,0]=4 3121 B13R1.84 CCCOCc1cccnc1OC 34a_100000717863_100000210303 [0,2,0,0,0,0|2,0,0]=4 3122 B13R1.84 CCCOCc1ncccc1OC 34a_100011998681_100000210303 [0,2,0,0,0,0|2,0,0]=4 3123 B13R1.84 CCOC=Cc1ccccc1CC 271570a_100016256518_100011215823 [0,2,0,0,0,0|2,0,0]=4 3124 B13R1.84 CCOC=Cc1cccnc1CC 271570a_100016256518_100009877225 [0,2,0,0,0,0|1,0,0]=3 3125 B13R1.84 CCOC=Cc1cccnc1CN 271570a_100016256518_100020591323 [0,2,0,0,0,0|2,0,0]=4 3126 B13R1.84 CCOC=Cc1cccnc1CO 271570a_100016256518_100011996772 [0,2,0,0,0,0|2,0,0]=4 3127 B13R1.84 CCOC=Cc1cccnc1NC 271570a_100016256518_100000700899 [0,2,0,0,0,0|2,0,0]=4 3128 B13R1.84 CCOC=Cc1cccnc1OC 271570a_100016256518_100000047025 [0,2,0,0,0,0|2,0,0]=4 3129 B13R1.84 CCOC=Cc1cccnc1SC 271570a_100016256518_100011465278 [0,2,0,0,0,0|2,0,0]=4 3130 B13R1.84 CCOC=Cc1cncnc1CC 271570a_100016256518_100009816992 [0,2,0,0,0,0|2,0,0]=4 3131 B13R1.84 CCOC=Cc1ncccc1CN 271570a_100016256518_100015189234 [0,2,0,0,0,0|2,0,0]=4 3132 B13R1.84 CCOC=Cc1ncccc1CO 271570a_100016256518_100000748726 [0,2,0,0,0,0|2,0,0]=4 3133 B13R1.84 CCOC=Cc1ncccc1NC 271570a_100016256518_200011806188 [0,2,0,0,0,0|2,0,0]=4 3134 B13R1.84 CCOC=Cc1ncccc1OC 271570a_100016256518_100000690851 [0,2,0,0,0,0|2,0,0]=4 3135 B13R1.84 CCOC=Cc1nccnc1C#N 271570a_100016256518_100000040484 [0,2,0,0,0,0|1,0,1]=4 3136 B13R1.84 CCOC=Cc1nccnc1CC 271570a_100016256518_100011995844 [0,2,0,0,0,0|0,0,0]=2 3137 B13R1.84 CCOC=Cc1nccnc1CN 271570a_100016256518_100000729963 [0,2,0,0,0,0|1,0,0]=3 3138 B13R1.84 CCOC=Cc1nccnc1CO 271570a_100016256518_100000057004 [0,2,0,0,0,0|1,0,0]=3 3139 B13R1.84 CCOC=Cc1nccnc1NC 271570a_100016256518_100011529439 [0,2,0,0,0,0|1,0,0]=3 3140 B13R1.84 CCOC=Cc1nccnc1NN 271570a_100016256518_100000755098 [0,2,0,0,0,0|2,0,0]=4 3141 B13R1.84 CCOC=Cc1nccnc1OC 271570a_100016256518_100000749998 [0,2,0,0,0,0|1,0,0]=3 3142 B13R1.84 CCOC=Cc1ncncc1CC 271570a_100016256518_200000100055 [0,2,0,0,0,0|2,0,0]=4 3143 B13R1.84 CCOCSc1ccccc1CC 62a_100000739092_100011215823 [0,2,0,0,0,0|2,0,0]=4 3144 B13R1.84 CCOCSc1ccccc1CC 62a_100011215823_100000739092 [0,2,0,0,0,0|2,0,0]=4 3145 B13R1.84 CCOCSc1cccnc1CC 62a_100000739092_100009877225 [0,2,0,0,0,0|1,0,0]=3 3146 B13R1.84 CCOCSc1cccnc1CC 62a_100009877225_100000739092 [0,2,0,0,0,0|1,0,0]=3 3147 B13R1.84 CCOCSc1cccnc1CN 62a_100000739092_100020591323 [0,2,0,0,0,0|2,0,0]=4 3148 B13R1.84 CCOCSc1cccnc1CN 62a_100020591323_100000739092 [0,2,0,0,0,0|2,0,0]=4 3149 B13R1.84 CCOCSc1cccnc1CO 62a_100000739092_100011996772 [0,2,0,0,0,0|2,0,0]=4 3150 B13R1.84 CCOCSc1cccnc1CO 62a_100011996772_100000739092 [0,2,0,0,0,0|2,0,0]=4 3151 B13R1.84 CCOCSc1cccnc1NC 62a_100000700899_100000739092 [0,2,0,0,0,0|2,0,0]=4 3152 B13R1.84 CCOCSc1cccnc1NC 62a_100000739092_100000700899 [0,2,0,0,0,0|2,0,0]=4 3153 B13R1.84 CCOCSc1cccnc1OC 62a_100000047025_100000739092 [0,2,0,0,0,0|2,0,0]=4 3154 B13R1.84 CCOCSc1cccnc1OC 62a_100000739092_100000047025 [0,2,0,0,0,0|2,0,0]=4 3155 B13R1.84 CCOCSc1cccnc1SC 62a_100000739092_100011465278 [0,2,0,0,0,0|2,0,0]=4 3156 B13R1.84 CCOCSc1cccnc1SC 62a_100011465278_100000739092 [0,2,0,0,0,0|2,0,0]=4 3157 B13R1.84 CCOCSc1cncnc1CC 62a_100000739092_100009816992 [0,2,0,0,0,0|2,0,0]=4 3158 B13R1.84 CCOCSc1cncnc1CC 62a_100009816992_100000739092 [0,2,0,0,0,0|2,0,0]=4 3159 B13R1.84 CCOCSc1ncccc1CN 62a_100000739092_100015189234 [0,2,0,0,0,0|2,0,0]=4 3160 B13R1.84 CCOCSc1ncccc1CN 62a_100015189234_100000739092 [0,2,0,0,0,0|2,0,0]=4 3161 B13R1.84 CCOCSc1ncccc1CO 62a_100000739092_100000748726 [0,2,0,0,0,0|2,0,0]=4 3162 B13R1.84 CCOCSc1ncccc1CO 62a_100000748726_100000739092 [0,2,0,0,0,0|2,0,0]=4 3163 B13R1.84 CCOCSc1ncccc1NC 62a_100000739092_200011806188 [0,2,0,0,0,0|2,0,0]=4 3164 B13R1.84 CCOCSc1ncccc1OC 62a_100000739092_100000690851 [0,2,0,0,0,0|2,0,0]=4 3165 B13R1.84 CCOCSc1ncccc1OC 62a_100000767102_100000739092 [0,2,0,0,0,0|2,0,0]=4 3166 B13R1.84 CCOCSc1nccnc1C#N 62a_100000739092_100000040484 [0,2,0,0,0,0|1,0,1]=4 3167 B13R1.84 CCOCSc1nccnc1C=O 62a_100000051000_100000739092 [0,2,0,0,0,0|1,0,1]=4 3168 B13R1.84 CCOCSc1nccnc1C=O 62a_100000739092_100000051000 [0,2,0,0,0,0|1,0,1]=4 3169 B13R1.84 CCOCSc1nccnc1CC 62a_100000739092_100011995844 [0,2,0,0,0,0|0,0,0]=2 3170 B13R1.84 CCOCSc1nccnc1CC 62a_100011995844_100000739092 [0,2,0,0,0,0|0,0,0]=2 3171 B13R1.84 CCOCSc1nccnc1CN 62a_100000729963_100000739092 [0,2,0,0,0,0|1,0,0]=3 3172 B13R1.84 CCOCSc1nccnc1CN 62a_100000739092_100000729963 [0,2,0,0,0,0|1,0,0]=3 3173 B13R1.84 CCOCSc1nccnc1CO 62a_100000057004_100000739092 [0,2,0,0,0,0|1,0,0]=3 3174 B13R1.84 CCOCSc1nccnc1CO 62a_100000739092_100000057004 [0,2,0,0,0,0|1,0,0]=3 3175 B13R1.84 CCOCSc1nccnc1NC 62a_100000739092_100011529439 [0,2,0,0,0,0|1,0,0]=3 3176 B13R1.84 CCOCSc1nccnc1NN 62a_100000739092_100000755098 [0,2,0,0,0,0|2,0,0]=4 3177 B13R1.84 CCOCSc1nccnc1OC 62a_100000739092_100000749998 [0,2,0,0,0,0|1,0,0]=3 3178 B13R1.84 CCOCSc1nccnc1OC 62a_100009858322_100000739092 [0,2,0,0,0,0|1,0,0]=3 3179 B13R1.84 CCOCSc1ncncc1CC 62a_100000739092_200000100055 [0,2,0,0,0,0|2,0,0]=4 3180 B13R1.84 CCOCSc1ncncc1CC 62a_200000100055_100000739092 [0,2,0,0,0,0|2,0,0]=4 3181 B13R1.84 CCc1ccccc1COCCF 34a_100011663872_100011217306 [0,2,0,0,0,0|2,0,0]=4 3182 B13R1.84 CCc1ccccc1COCCF 7a_100011663872_100011217306 [0,2,0,0,0,0|2,0,0]=4 3183 B13R1.84 CCc1ccccc1COCCO 34a_100011663872_100000211926 [0,2,0,0,0,0|2,0,0]=4 3184 B13R1.84 CCc1ccccc1COCCO 7a_100011663872_100000211926 [0,2,0,0,0,0|2,0,0]=4 3185 B13R1.84 CCc1ccccc1COCSC 34a_100011663872_100011218213 [0,2,0,0,0,0|2,0,0]=4 3186 B13R1.84 CCc1ccccc1OCCC#N 7a_100000210936_100000184422 [0,2,0,0,0,0|2,0,0]=4 3187 B13R1.84 CCc1ccccc1OCCCF 34a_100000210936_100011934791 [0,2,0,0,0,0|2,0,0]=4 3188 B13R1.84 CCc1ccccc1OCCCF 7a_100000210936_100011934791 [0,2,0,0,0,0|2,0,0]=4 3189 B13R1.84 CCc1ccccc1OCCCO 34a_100000210936_100000230001 [0,2,0,0,0,0|2,0,0]=4 3190 B13R1.84 CCc1ccccc1OCCCO 7a_100000210936_100011215043 [0,2,0,0,0,0|2,0,0]=4 3191 B13R1.84 CCc1ccccc1OCCOC 34a_100000210936_100011201679 [0,2,0,0,0,0|2,0,0]=4 3192 B13R1.84 CCc1ccccc1OCCOC 7a_100000210936_100000233755 [0,2,0,0,0,0|2,0,0]=4 3193 B13R1.84 CCc1ccccc1OCCSC 34a_100000210936_100000212216 [0,2,0,0,0,0|2,0,0]=4 3194 B13R1.84 CCc1ccccc1OCCSC 7a_100000210936_100000212216 [0,2,0,0,0,0|2,0,0]=4 3195 B13R1.84 CCc1ncccc1C=CCOC 271570a_100016286323_100009877225 [0,2,0,0,0,0|2,0,0]=4 3196 B13R1.84 CCc1ncccc1SCCC#N 62a_100009877225_100011215226 [0,2,0,0,0,0|1,1,0]=4 3197 B13R1.84 CCc1ncccc1SCCC#N 62a_100011215226_100009877225 [0,2,0,0,0,0|1,1,0]=4 3198 B13R1.84 CCc1ncccc1SCCCF 62a_100009877225_100011934791 [0,2,0,0,0,0|1,1,0]=4 3199 B13R1.84 CCc1ncccc1SCCCF 62a_100011934791_100009877225 [0,2,0,0,0,0|1,1,0]=4 3200 B13R1.84 CCc1ncccc1SCCCO 62a_100009877225_100011215043 [0,2,0,0,0,0|1,1,0]=4 3201 B13R1.84 CCc1ncccc1SCCCO 62a_100011215043_100009877225 [0,2,0,0,0,0|1,1,0]=4 3202 B13R1.84 CCc1ncccc1SCCOC 62a_100000233755_100009877225 [0,2,0,0,0,0|1,1,0]=4 3203 B13R1.84 CCc1ncccc1SCCOC 62a_100009877225_100000233755 [0,2,0,0,0,0|1,1,0]=4 3204 B13R1.84 CCc1ncccc1SCCSC 62a_100000212216_100009877225 [0,2,0,0,0,0|1,1,0]=4 3205 B13R1.84 CCc1ncccc1SCCSC 62a_100009877225_100000751147 [0,2,0,0,0,0|1,1,0]=4 3206 B13R1.84 CCc1nccnc1C=CCOC 271570a_100016286323_100011995844 [0,2,0,0,0,0|1,0,0]=3 3207 B13R1.84 CCc1nccnc1NCCC#N 27a_100000720768_100011995844 [0,2,0,0,0,0|1,0,0]=3 3208 B13R1.84 CCc1nccnc1NCCCF 27a_100015189416_100011995844 [0,2,0,0,0,0|1,0,0]=3 3209 B13R1.84 CCc1nccnc1NCCCO 27a_100000182051_100011995844 [0,2,0,0,0,0|1,0,0]=3 3210 B13R1.84 CCc1nccnc1NCCOC 27a_100000209980_100011995844 [0,2,0,0,0,0|1,0,0]=3 3211 B13R1.84 CCc1nccnc1NCCSC 27a_100020590264_100011995844 [0,2,0,0,0,0|1,0,0]=3 3212 B13R1.84 CCc1nccnc1SCCC#N 62a_100011215226_100011995844 [0,2,0,0,0,0|0,1,0]=3 3213 B13R1.84 CCc1nccnc1SCCC#N 62a_100011995844_100011215226 [0,2,0,0,0,0|0,1,0]=3 3214 B13R1.84 CCc1nccnc1SCCCF 62a_100011934791_100011995844 [0,2,0,0,0,0|0,1,0]=3 3215 B13R1.84 CCc1nccnc1SCCCF 62a_100011995844_100011934791 [0,2,0,0,0,0|0,1,0]=3 3216 B13R1.84 CCc1nccnc1SCCCO 62a_100011215043_100011995844 [0,2,0,0,0,0|0,1,0]=3 3217 B13R1.84 CCc1nccnc1SCCCO 62a_100011995844_100011215043 [0,2,0,0,0,0|0,1,0]=3 3218 B13R1.84 CCc1nccnc1SCCOC 62a_100000233755_100011995844 [0,2,0,0,0,0|0,1,0]=3 3219 B13R1.84 CCc1nccnc1SCCOC 62a_100011995844_100000233755 [0,2,0,0,0,0|0,1,0]=3 3220 B13R1.84 CCc1nccnc1SCCSC 62a_100000212216_100011995844 [0,2,0,0,0,0|0,1,0]=3 3221 B13R1.84 CCc1nccnc1SCCSC 62a_100011995844_100000751147 [0,2,0,0,0,0|0,1,0]=3 3222 B13R1.84 CCc1nccnc1SCSC#N 62a_100000211825_100011995844 [0,2,0,0,0,0|0,1,1]=4 3223 B13R1.84 CCc1nccnc1SCSC#N 62a_100011995844_100000211825 [0,2,0,0,0,0|0,1,1]=4 3224 B13R1.84 CNc1nccnc1C=CCOC 271570a_100016286323_100011529439 [0,2,0,0,0,0|2,0,0]=4 3225 B13R1.84 CNc1nccnc1SCCC#N 62a_100011215226_100011529439 [0,2,0,0,0,0|1,1,0]=4 3226 B13R1.84 CNc1nccnc1SCCCF 62a_100011934791_100011529439 [0,2,0,0,0,0|1,1,0]=4 3227 B13R1.84 CNc1nccnc1SCCCO 62a_100011215043_100011529439 [0,2,0,0,0,0|1,1,0]=4 3228 B13R1.84 CNc1nccnc1SCCOC 62a_100000233755_100011529439 [0,2,0,0,0,0|1,1,0]=4 3229 B13R1.84 CNc1nccnc1SCCSC 62a_100000212216_100011529439 [0,2,0,0,0,0|1,1,0]=4 3230 B13R1.84 COCC=Cc1nccnc1CN 271570a_100016286323_100000729963 [0,2,0,0,0,0|2,0,0]=4 3231 B13R1.84 COCC=Cc1nccnc1CO 271570a_100016286323_100000057004 [0,2,0,0,0,0|2,0,0]=4 3232 B13R1.84 COCC=Cc1nccnc1OC 271570a_100016286323_100000749998 [0,2,0,0,0,0|2,0,0]=4 3233 B13R1.84 COCCNc1nccnc1OC 27a_100000209980_100009858322 [0,2,0,0,0,0|2,0,0]=4 3234 B13R1.84 COCCOc1cccnc1CBr 34a_200020655725_100011201679 [0,2,0,0,0,0|2,0,0]=4 3235 B13R1.84 COCCOc1cccnc1CBr 7a_200020655725_100000233755 [0,2,0,0,0,0|2,0,0]=4 3236 B13R1.84 COCCOc1cccnc1CO 34a_100000731849_100011201679 [0,2,0,0,0,0|2,0,0]=4 3237 B13R1.84 COCCOc1cccnc1OC 34a_100000698397_100011201679 [0,2,0,0,0,0|2,0,0]=4 3238 B13R1.84 COCCOc1cccnc1OC 7a_100000698397_100000233755 [0,2,0,0,0,0|2,0,0]=4 3239 B13R1.84 COCCOc1ncccc1OC 34a_100025773188_100011201679 [0,2,0,0,0,0|2,0,0]=4 3240 B13R1.84 COCCOc1ncccc1SC 62a_100000754258_200000210301 [0,2,0,0,0,0|2,0,0]=4 3241 B13R1.84 COCCOc1ncccc1SC 62a_200000210301_100000754258 [0,2,0,0,0,0|2,0,0]=4 3242 B13R1.84 COCCOc1ncccc1S[13CH3] 62a_100000754258_200025704644 [0,2,0,0,0,0|2,0,0]=4 3243 B13R1.84 COCCOc1ncccc1S[13CH3] 62a_200025704644_100000754258 [0,2,0,0,0,0|2,0,0]=4 3244 B13R1.84 COCCSc1nccnc1CN 62a_100000233755_100000729963 [0,2,0,0,0,0|1,1,0]=4 3245 B13R1.84 COCCSc1nccnc1CN 62a_100000729963_100000233755 [0,2,0,0,0,0|1,1,0]=4 3246 B13R1.84 COCCSc1nccnc1CO 62a_100000057004_100000233755 [0,2,0,0,0,0|1,1,0]=4 3247 B13R1.84 COCCSc1nccnc1CO 62a_100000233755_100000057004 [0,2,0,0,0,0|1,1,0]=4 3248 B13R1.84 COCCSc1nccnc1OC 62a_100000233755_100000749998 [0,2,0,0,0,0|1,1,0]=4 3249 B13R1.84 COCCSc1nccnc1OC 62a_100009858322_100000233755 [0,2,0,0,0,0|1,1,0]=4 3250 B13R1.84 COc1cccnc1COCCF 34a_100011998681_100011217306 [0,2,0,0,0,0|2,0,0]=4 3251 B13R1.84 COc1cccnc1COCCO 34a_100011998681_100000211926 [0,2,0,0,0,0|2,0,0]=4 3252 B13R1.84 COc1cccnc1COCSC 34a_100011998681_100011218213 [0,2,0,0,0,0|2,0,0]=4 3253 B13R1.84 COc1cccnc1OCCCF 34a_100025773188_100011934791 [0,2,0,0,0,0|2,0,0]=4 3254 B13R1.84 COc1cccnc1OCCCO 34a_100025773188_100000230001 [0,2,0,0,0,0|2,0,0]=4 3255 B13R1.84 COc1cccnc1OCCSC 34a_100025773188_100000212216 [0,2,0,0,0,0|2,0,0]=4 3256 B13R1.84 COc1ncccc1COCCBr 34a_100000211926_100020631285 [0,2,0,0,0,0|2,0,0]=4 3257 B13R1.84 COc1ncccc1COCCF 34a_100000717863_100011217306 [0,2,0,0,0,0|2,0,0]=4 3258 B13R1.84 COc1ncccc1COCCN 34a_100000210304_100020631285 [0,2,0,0,0,0|2,0,0]=4 3259 B13R1.84 COc1ncccc1COCCO 34a_100000717863_100000211926 [0,2,0,0,0,0|2,0,0]=4 3260 B13R1.84 COc1ncccc1COCSC 34a_100000717863_100011218213 [0,2,0,0,0,0|2,0,0]=4 3261 B13R1.84 COc1ncccc1OCCC#N 7a_100000698397_100000184422 [0,2,0,0,0,0|2,0,0]=4 3262 B13R1.84 COc1ncccc1OCCCF 34a_100000698397_100011934791 [0,2,0,0,0,0|2,0,0]=4 3263 B13R1.84 COc1ncccc1OCCCF 7a_100000698397_100011934791 [0,2,0,0,0,0|2,0,0]=4 3264 B13R1.84 COc1ncccc1OCCCO 34a_100000698397_100000230001 [0,2,0,0,0,0|2,0,0]=4 3265 B13R1.84 COc1ncccc1OCCCO 7a_100000698397_100011215043 [0,2,0,0,0,0|2,0,0]=4 3266 B13R1.84 COc1ncccc1OCCSC 34a_100000698397_100000212216 [0,2,0,0,0,0|2,0,0]=4 3267 B13R1.84 COc1ncccc1OCCSC 7a_100000698397_100000212216 [0,2,0,0,0,0|2,0,0]=4 3268 B13R1.84 COc1nccnc1NCCC#N 27a_100000720768_100009858322 [0,2,0,0,0,0|2,0,0]=4 3269 B13R1.84 COc1nccnc1NCCCF 27a_100015189416_100009858322 [0,2,0,0,0,0|2,0,0]=4 3270 B13R1.84 COc1nccnc1NCCCO 27a_100000182051_100009858322 [0,2,0,0,0,0|2,0,0]=4 3271 B13R1.84 COc1nccnc1NCCSC 27a_100020590264_100009858322 [0,2,0,0,0,0|2,0,0]=4 3272 B13R1.84 COc1nccnc1SCCC#N 62a_100009858322_100011215226 [0,2,0,0,0,0|1,1,0]=4 3273 B13R1.84 COc1nccnc1SCCC#N 62a_100011215226_100000749998 [0,2,0,0,0,0|1,1,0]=4 3274 B13R1.84 COc1nccnc1SCCCF 62a_100009858322_100011934791 [0,2,0,0,0,0|1,1,0]=4 3275 B13R1.84 COc1nccnc1SCCCF 62a_100011934791_100000749998 [0,2,0,0,0,0|1,1,0]=4 3276 B13R1.84 COc1nccnc1SCCCO 62a_100009858322_100011215043 [0,2,0,0,0,0|1,1,0]=4 3277 B13R1.84 COc1nccnc1SCCCO 62a_100011215043_100000749998 [0,2,0,0,0,0|1,1,0]=4 3278 B13R1.84 COc1nccnc1SCCSC 62a_100000212216_100000749998 [0,2,0,0,0,0|1,1,0]=4 3279 B13R1.84 COc1nccnc1SCCSC 62a_100009858322_100000751147 [0,2,0,0,0,0|1,1,0]=4 3280 B13R1.84 CSCCOc1cccnc1CBr 34a_200020655725_100000212216 [0,2,0,0,0,0|2,0,0]=4 3281 B13R1.84 CSCCOc1cccnc1CBr 7a_200020655725_100000212216 [0,2,0,0,0,0|2,0,0]=4 3282 B13R1.84 CSCCOc1cccnc1CO 34a_100000731849_100000212216 [0,2,0,0,0,0|2,0,0]=4 3283 B13R1.84 CSCCSc1nccnc1CN 62a_100000212216_100000729963 [0,2,0,0,0,0|1,1,0]=4 3284 B13R1.84 CSCCSc1nccnc1CN 62a_100000729963_100000751147 [0,2,0,0,0,0|1,1,0]=4 3285 B13R1.84 CSCCSc1nccnc1CO 62a_100000057004_100000751147 [0,2,0,0,0,0|1,1,0]=4 3286 B13R1.84 CSCCSc1nccnc1CO 62a_100000212216_100000057004 [0,2,0,0,0,0|1,1,0]=4 3287 B13R1.84 FCCCOc1cccnc1CBr 34a_200020655725_100011934791 [0,2,0,0,0,0|2,0,0]=4 3288 B13R1.84 FCCCOc1cccnc1CBr 7a_200020655725_100011934791 [0,2,0,0,0,0|2,0,0]=4 3289 B13R1.84 N#CCCOc1cccnc1CBr 7a_200020655725_100000184422 [0,2,0,0,0,0|2,0,0]=4 3290 B13R1.84 N#CCCSc1nccnc1CN 62a_100000729963_100011215226 [0,2,0,0,0,0|1,1,0]=4 3291 B13R1.84 N#CCCSc1nccnc1CN 62a_100011215226_100000729963 [0,2,0,0,0,0|1,1,0]=4 3292 B13R1.84 N#CCCSc1nccnc1CO 62a_100000057004_100011215226 [0,2,0,0,0,0|1,1,0]=4 3293 B13R1.84 N#CCCSc1nccnc1CO 62a_100011215226_100000057004 [0,2,0,0,0,0|1,1,0]=4 3294 B13R1.84 NCc1nccnc1SCCCF 62a_100000729963_100011934791 [0,2,0,0,0,0|1,1,0]=4 3295 B13R1.84 NCc1nccnc1SCCCF 62a_100011934791_100000729963 [0,2,0,0,0,0|1,1,0]=4 3296 B13R1.84 NCc1nccnc1SCCCO 62a_100000729963_100011215043 [0,2,0,0,0,0|1,1,0]=4 3297 B13R1.84 NCc1nccnc1SCCCO 62a_100011215043_100000729963 [0,2,0,0,0,0|1,1,0]=4 3298 B13R1.84 OCCCOc1cccnc1CBr 34a_200020655725_100000230001 [0,2,0,0,0,0|2,0,0]=4 3299 B13R1.84 OCCCOc1cccnc1CBr 7a_200020655725_100011215043 [0,2,0,0,0,0|2,0,0]=4 3300 B13R1.84 OCCCOc1cccnc1CO 34a_100000731849_100000230001 [0,2,0,0,0,0|2,0,0]=4 3301 B13R1.84 OCCCSc1nccnc1CO 62a_100000057004_100011215043 [0,2,0,0,0,0|1,1,0]=4 3302 B13R1.84 OCCCSc1nccnc1CO 62a_100011215043_100000057004 [0,2,0,0,0,0|1,1,0]=4 3303 B13R1.84 OCc1ncccc1OCCCF 34a_100000731849_100011934791 [0,2,0,0,0,0|2,0,0]=4 3304 B13R1.84 OCc1nccnc1SCCCF 62a_100000057004_100011934791 [0,2,0,0,0,0|1,1,0]=4 3305 B13R1.84 OCc1nccnc1SCCCF 62a_100011934791_100000057004 [0,2,0,0,0,0|1,1,0]=4 3306 B13R1.90 C=C(C)CNc1nccnc1CC 27a_100000765925_100011995844 [0,2,0,0,0,0|1,0,0]=3 3307 B13R1.90 C=C(C)CNc1nccnc1OC 27a_100000765925_100009858322 [0,2,0,0,0,0|2,0,0]=4 3308 B13R1.90 C=C(C)COc1ccccc1CC 34a_100000210936_100000748629 [0,2,0,0,0,0|2,0,0]=4 3309 B13R1.90 C=C(C)COc1ccccc1CC 7a_100000210936_100000748629 [0,2,0,0,0,0|2,0,0]=4 3310 B13R1.90 C=C(C)COc1cccnc1CBr 34a_200020655725_100000748629 [0,2,0,0,0,0|2,0,0]=4 3311 B13R1.90 C=C(C)COc1cccnc1CBr 7a_200020655725_100000748629 [0,2,0,0,0,0|2,0,0]=4 3312 B13R1.90 C=C(C)COc1cccnc1CO 34a_100000731849_100000748629 [0,2,0,0,0,0|2,0,0]=4 3313 B13R1.90 C=C(C)COc1cccnc1OC 34a_100000698397_100000748629 [0,2,0,0,0,0|2,0,0]=4 3314 B13R1.90 C=C(C)COc1cccnc1OC 7a_100000698397_100000748629 [0,2,0,0,0,0|2,0,0]=4 3315 B13R1.90 C=C(C)COc1ncccc1OC 34a_100025773188_100000748629 [0,2,0,0,0,0|2,0,0]=4 3316 B13R1.90 C=C(C)CSc1cccnc1CC 62a_100000748629_100009877225 [0,2,0,0,0,0|1,1,0]=4 3317 B13R1.90 C=C(C)CSc1cccnc1CC 62a_100009877225_100000211660 [0,2,0,0,0,0|1,1,0]=4 3318 B13R1.90 C=C(C)CSc1nccnc1CC 62a_100000748629_100011995844 [0,2,0,0,0,0|0,1,0]=3 3319 B13R1.90 C=C(C)CSc1nccnc1CC 62a_100011995844_100000211660 [0,2,0,0,0,0|0,1,0]=3 3320 B13R1.90 C=C(C)CSc1nccnc1CN 62a_100000729963_100000211660 [0,2,0,0,0,0|1,1,0]=4 3321 B13R1.90 C=C(C)CSc1nccnc1CN 62a_100000748629_100000729963 [0,2,0,0,0,0|1,1,0]=4 3322 B13R1.90 C=C(C)CSc1nccnc1CO 62a_100000057004_100000211660 [0,2,0,0,0,0|1,1,0]=4 3323 B13R1.90 C=C(C)CSc1nccnc1CO 62a_100000748629_100000057004 [0,2,0,0,0,0|1,1,0]=4 3324 B13R1.90 C=C(C)CSc1nccnc1NC 62a_100000748629_100011529439 [0,2,0,0,0,0|1,1,0]=4 3325 B13R1.90 C=C(C)CSc1nccnc1OC 62a_100000748629_100000749998 [0,2,0,0,0,0|1,1,0]=4 3326 B13R1.90 C=C(C)CSc1nccnc1OC 62a_100009858322_100000211660 [0,2,0,0,0,0|1,1,0]=4 3327 B13R1.90 C=C(F)CSc1nccnc1CC 62a_100000042424_100011995844 [0,2,0,0,0,0|0,1,1]=4 3328 B13R1.90 C=C(F)CSc1nccnc1CC 62a_100011995844_100000042424 [0,2,0,0,0,0|0,1,1]=4 3329 B13R1.90 CC(C)C=Cc1nccnc1CN 271570a_100016257149_100000729963 [0,2,0,0,0,0|2,0,0]=4 3330 B13R1.90 CC(C)C=Cc1nccnc1CO 271570a_100016257149_100000057004 [0,2,0,0,0,0|2,0,0]=4 3331 B13R1.90 CC(C)COc1cccnc1CBr 34a_200020655725_100000210624 [0,2,0,0,0,0|2,0,0]=4 3332 B13R1.90 CC(C)COc1cccnc1CBr 7a_200020655725_100000210760 [0,2,0,0,0,0|2,0,0]=4 3333 B13R1.90 CC(C)COc1cccnc1CO 34a_100000731849_100000210624 [0,2,0,0,0,0|2,0,0]=4 3334 B13R1.90 CC(C)CSc1nccnc1CN 62a_100000210624_100000729963 [0,2,0,0,0,0|1,1,0]=4 3335 B13R1.90 CC(C)CSc1nccnc1CN 62a_100000729963_100000210760 [0,2,0,0,0,0|1,1,0]=4 3336 B13R1.90 CC(C)CSc1nccnc1CO 62a_100000057004_100000210760 [0,2,0,0,0,0|1,1,0]=4 3337 B13R1.90 CC(C)CSc1nccnc1CO 62a_100000210624_100000057004 [0,2,0,0,0,0|1,1,0]=4 3338 B13R1.90 CC(O)C=Cc1nccnc1CN 271570a_200011019289_100000729963 [0,2,0,0,0,0|2,0,0]=4 3339 B13R1.90 CC(O)C=Cc1nccnc1CO 271570a_200011019289_100000057004 [0,2,0,0,0,0|2,0,0]=4 3340 B13R1.90 CC(O)COc1cccnc1CBr 34a_200020655725_100011218427 [0,2,0,0,0,0|2,0,0]=4 3341 B13R1.90 CC(O)COc1cccnc1CBr 7a_200020655725_100011218427 [0,2,0,0,0,0|2,0,0]=4 3342 B13R1.90 CC(O)COc1cccnc1CO 34a_100000731849_100011218427 [0,2,0,0,0,0|2,0,0]=4 3343 B13R1.90 CC(O)CSc1nccnc1CN 62a_100000729963_100011218427 [0,2,0,0,0,0|1,1,0]=4 3344 B13R1.90 CC(O)CSc1nccnc1CN 62a_100011218427_100000729963 [0,2,0,0,0,0|1,1,0]=4 3345 B13R1.90 CC(O)CSc1nccnc1CO 62a_100000057004_100011218427 [0,2,0,0,0,0|1,1,0]=4 3346 B13R1.90 CC(O)CSc1nccnc1CO 62a_100011218427_100000057004 [0,2,0,0,0,0|1,1,0]=4 3347 B13R1.90 CCc1ccccc1COC(C)C 34a_100011663872_100000210206 [0,2,0,0,0,0|2,0,0]=4 3348 B13R1.90 CCc1ccccc1COC(C)C 7a_100011663872_100000210206 [0,2,0,0,0,0|2,0,0]=4 3349 B13R1.90 CCc1ccccc1OCC(=O)C 1458a_100000182566_200000210301 [0,2,0,0,0,0|2,0,0]=4 3350 B13R1.90 CCc1ccccc1OCC(=O)[13CH3] 1458a_100000182566_200025704644 [0,2,0,0,0,0|2,0,0]=4 3351 B13R1.90 CCc1ccccc1OCC(C)C 34a_100000210936_100000210624 [0,2,0,0,0,0|2,0,0]=4 3352 B13R1.90 CCc1ccccc1OCC(C)C 7a_100000210936_100000210760 [0,2,0,0,0,0|2,0,0]=4 3353 B13R1.90 CCc1ccccc1OCC(C)O 34a_100000210936_100011218427 [0,2,0,0,0,0|2,0,0]=4 3354 B13R1.90 CCc1ccccc1OCC(C)O 7a_100000210936_100011218427 [0,2,0,0,0,0|2,0,0]=4 3355 B13R1.90 CCc1ccccc1OCC(F)F 34a_100000210936_100011934356 [0,2,0,0,0,0|2,0,0]=4 3356 B13R1.90 CCc1ccccc1OCC(F)F 7a_100000210936_100011934356 [0,2,0,0,0,0|2,0,0]=4 3357 B13R1.90 CCc1ccccc1OC[C@@H](C)O 34a_100000210936_100009817552 [0,2,0,0,0,0|2,0,0]=4 3358 B13R1.90 CCc1ccccc1OC[C@@H](C)O 7a_100000210936_100009817552 [0,2,0,0,0,0|2,0,0]=4 3359 B13R1.90 CCc1ncccc1C=CC(C)C 271570a_100016257149_100009877225 [0,2,0,0,0,0|2,0,0]=4 3360 B13R1.90 CCc1ncccc1C=CC(C)O 271570a_200011019289_100009877225 [0,2,0,0,0,0|2,0,0]=4 3361 B13R1.90 CCc1ncccc1SCC(C)C 62a_100000210624_100009877225 [0,2,0,0,0,0|1,1,0]=4 3362 B13R1.90 CCc1ncccc1SCC(C)C 62a_100009877225_100000210760 [0,2,0,0,0,0|1,1,0]=4 3363 B13R1.90 CCc1ncccc1SCC(C)O 62a_100009877225_100011218427 [0,2,0,0,0,0|1,1,0]=4 3364 B13R1.90 CCc1ncccc1SCC(C)O 62a_100011218427_100009877225 [0,2,0,0,0,0|1,1,0]=4 3365 B13R1.90 CCc1ncccc1SCC(F)F 62a_100009877225_100011934356 [0,2,0,0,0,0|1,1,0]=4 3366 B13R1.90 CCc1ncccc1SCC(F)F 62a_100011934356_100009877225 [0,2,0,0,0,0|1,1,0]=4 3367 B13R1.90 CCc1ncccc1SC[C@@H](C)O 62a_100009817552_100009877225 [0,2,0,0,0,0|1,1,0]=4 3368 B13R1.90 CCc1ncccc1SC[C@@H](C)O 62a_100009877225_100009817552 [0,2,0,0,0,0|1,1,0]=4 3369 B13R1.90 CCc1nccnc1C=CC(C)C 271570a_100016257149_100011995844 [0,2,0,0,0,0|1,0,0]=3 3370 B13R1.90 CCc1nccnc1C=CC(C)O 271570a_200011019289_100011995844 [0,2,0,0,0,0|1,0,0]=3 3371 B13R1.90 CCc1nccnc1NCC(C)C 27a_100000210953_100011995844 [0,2,0,0,0,0|1,0,0]=3 3372 B13R1.90 CCc1nccnc1NCC(C)O 27a_100000210904_100011995844 [0,2,0,0,0,0|1,0,0]=3 3373 B13R1.90 CCc1nccnc1NCC(F)F 27a_100000765723_100011995844 [0,2,0,0,0,0|1,0,0]=3 3374 B13R1.90 CCc1nccnc1SCC(=O)N 62a_100000747473_100011995844 [0,2,0,0,0,0|0,1,1]=4 3375 B13R1.90 CCc1nccnc1SCC(=O)N 62a_100011995844_100000747473 [0,2,0,0,0,0|0,1,1]=4 3376 B13R1.90 CCc1nccnc1SCC(=O)[O-] 62a_100011995844_100020667443 [0,2,0,0,0,0|0,1,1]=4 3377 B13R1.90 CCc1nccnc1SCC(=O)[O-] 62a_100020667443_100011995844 [0,2,0,0,0,0|0,1,1]=4 3378 B13R1.90 CCc1nccnc1SCC(C)C 62a_100000210624_100011995844 [0,2,0,0,0,0|0,1,0]=3 3379 B13R1.90 CCc1nccnc1SCC(C)C 62a_100011995844_100000210760 [0,2,0,0,0,0|0,1,0]=3 3380 B13R1.90 CCc1nccnc1SCC(C)O 62a_100011218427_100011995844 [0,2,0,0,0,0|0,1,0]=3 3381 B13R1.90 CCc1nccnc1SCC(C)O 62a_100011995844_100011218427 [0,2,0,0,0,0|0,1,0]=3 3382 B13R1.90 CCc1nccnc1SCC(F)F 62a_100011934356_100011995844 [0,2,0,0,0,0|0,1,0]=3 3383 B13R1.90 CCc1nccnc1SCC(F)F 62a_100011995844_100011934356 [0,2,0,0,0,0|0,1,0]=3 3384 B13R1.90 CCc1nccnc1SC[C@@H](C)O 62a_100009817552_100011995844 [0,2,0,0,0,0|0,1,0]=3 3385 B13R1.90 CCc1nccnc1SC[C@@H](C)O 62a_100011995844_100009817552 [0,2,0,0,0,0|0,1,0]=3 3386 B13R1.90 CCc1nccnc1SC[N+](=O)[O-] 62a_100011995844_100000761209 [0,2,0,0,0,0|1,1,0]=4 3387 B13R1.90 CNc1nccnc1C=CC(C)C 271570a_100016257149_100011529439 [0,2,0,0,0,0|2,0,0]=4 3388 B13R1.90 CNc1nccnc1C=CC(C)O 271570a_200011019289_100011529439 [0,2,0,0,0,0|2,0,0]=4 3389 B13R1.90 CNc1nccnc1SCC(C)C 62a_100000210624_100011529439 [0,2,0,0,0,0|1,1,0]=4 3390 B13R1.90 CNc1nccnc1SCC(C)O 62a_100011218427_100011529439 [0,2,0,0,0,0|1,1,0]=4 3391 B13R1.90 CNc1nccnc1SCC(F)F 62a_100011934356_100011529439 [0,2,0,0,0,0|1,1,0]=4 3392 B13R1.90 CNc1nccnc1SC[C@@H](C)O 62a_100009817552_100011529439 [0,2,0,0,0,0|1,1,0]=4 3393 B13R1.90 COc1cccnc1COC(C)C 34a_100011998681_100000210206 [0,2,0,0,0,0|2,0,0]=4 3394 B13R1.90 COc1cccnc1OCC(C)C 34a_100025773188_100000210624 [0,2,0,0,0,0|2,0,0]=4 3395 B13R1.90 COc1cccnc1OCC(C)O 34a_100025773188_100011218427 [0,2,0,0,0,0|2,0,0]=4 3396 B13R1.90 COc1cccnc1OCC(F)F 34a_100025773188_100011934356 [0,2,0,0,0,0|2,0,0]=4 3397 B13R1.90 COc1cccnc1OC[C@@H](C)O 34a_100025773188_100009817552 [0,2,0,0,0,0|2,0,0]=4 3398 B13R1.90 COc1ncccc1COC(C)C 34a_100000212225_100020631285 [0,2,0,0,0,0|2,0,0]=4 3399 B13R1.90 COc1ncccc1COC(C)C 34a_100000717863_100000210206 [0,2,0,0,0,0|2,0,0]=4 3400 B13R1.90 COc1ncccc1OCC(C)C 34a_100000698397_100000210624 [0,2,0,0,0,0|2,0,0]=4 3401 B13R1.90 COc1ncccc1OCC(C)C 7a_100000698397_100000210760 [0,2,0,0,0,0|2,0,0]=4 3402 B13R1.90 COc1ncccc1OCC(C)O 34a_100000698397_100011218427 [0,2,0,0,0,0|2,0,0]=4 3403 B13R1.90 COc1ncccc1OCC(C)O 7a_100000698397_100011218427 [0,2,0,0,0,0|2,0,0]=4 3404 B13R1.90 COc1ncccc1OCC(F)F 34a_100000698397_100011934356 [0,2,0,0,0,0|2,0,0]=4 3405 B13R1.90 COc1ncccc1OCC(F)F 7a_100000698397_100011934356 [0,2,0,0,0,0|2,0,0]=4 3406 B13R1.90 COc1ncccc1OC[C@@H](C)O 34a_100000698397_100009817552 [0,2,0,0,0,0|2,0,0]=4 3407 B13R1.90 COc1ncccc1OC[C@@H](C)O 7a_100000698397_100009817552 [0,2,0,0,0,0|2,0,0]=4 3408 B13R1.90 COc1nccnc1C=CC(C)C 271570a_100016257149_100000749998 [0,2,0,0,0,0|2,0,0]=4 3409 B13R1.90 COc1nccnc1C=CC(C)O 271570a_200011019289_100000749998 [0,2,0,0,0,0|2,0,0]=4 3410 B13R1.90 COc1nccnc1NCC(C)C 27a_100000210953_100009858322 [0,2,0,0,0,0|2,0,0]=4 3411 B13R1.90 COc1nccnc1NCC(C)O 27a_100000210904_100009858322 [0,2,0,0,0,0|2,0,0]=4 3412 B13R1.90 COc1nccnc1NCC(F)F 27a_100000765723_100009858322 [0,2,0,0,0,0|2,0,0]=4 3413 B13R1.90 COc1nccnc1SCC(C)C 62a_100000210624_100000749998 [0,2,0,0,0,0|1,1,0]=4 3414 B13R1.90 COc1nccnc1SCC(C)C 62a_100009858322_100000210760 [0,2,0,0,0,0|1,1,0]=4 3415 B13R1.90 COc1nccnc1SCC(C)O 62a_100009858322_100011218427 [0,2,0,0,0,0|1,1,0]=4 3416 B13R1.90 COc1nccnc1SCC(C)O 62a_100011218427_100000749998 [0,2,0,0,0,0|1,1,0]=4 3417 B13R1.90 COc1nccnc1SCC(F)F 62a_100009858322_100011934356 [0,2,0,0,0,0|1,1,0]=4 3418 B13R1.90 COc1nccnc1SCC(F)F 62a_100011934356_100000749998 [0,2,0,0,0,0|1,1,0]=4 3419 B13R1.90 COc1nccnc1SC[C@@H](C)O 62a_100009817552_100000749998 [0,2,0,0,0,0|1,1,0]=4 3420 B13R1.90 COc1nccnc1SC[C@@H](C)O 62a_100009858322_100009817552 [0,2,0,0,0,0|1,1,0]=4 3421 B13R1.90 C[C@@H](O)COc1cccnc1CBr 34a_200020655725_100009817552 [0,2,0,0,0,0|2,0,0]=4 3422 B13R1.90 C[C@@H](O)COc1cccnc1CBr 7a_200020655725_100009817552 [0,2,0,0,0,0|2,0,0]=4 3423 B13R1.90 C[C@@H](O)COc1cccnc1CO 34a_100000731849_100009817552 [0,2,0,0,0,0|2,0,0]=4 3424 B13R1.90 C[C@@H](O)CSc1nccnc1CN 62a_100000729963_100009817552 [0,2,0,0,0,0|1,1,0]=4 3425 B13R1.90 C[C@@H](O)CSc1nccnc1CN 62a_100009817552_100000729963 [0,2,0,0,0,0|1,1,0]=4 3426 B13R1.90 C[C@@H](O)CSc1nccnc1CO 62a_100000057004_100009817552 [0,2,0,0,0,0|1,1,0]=4 3427 B13R1.90 C[C@@H](O)CSc1nccnc1CO 62a_100009817552_100000057004 [0,2,0,0,0,0|1,1,0]=4 3428 B13R1.90 FC(F)COc1cccnc1CBr 34a_200020655725_100011934356 [0,2,0,0,0,0|2,0,0]=4 3429 B13R1.90 FC(F)COc1cccnc1CBr 7a_200020655725_100011934356 [0,2,0,0,0,0|2,0,0]=4 3430 B13R1.90 NCc1nccnc1SCC(F)F 62a_100000729963_100011934356 [0,2,0,0,0,0|1,1,0]=4 3431 B13R1.90 NCc1nccnc1SCC(F)F 62a_100011934356_100000729963 [0,2,0,0,0,0|1,1,0]=4 3432 B13R1.90 OCc1ncccc1OCC(F)F 34a_100000731849_100011934356 [0,2,0,0,0,0|2,0,0]=4 3433 B13R1.90 OCc1nccnc1SCC(F)F 62a_100000057004_100011934356 [0,2,0,0,0,0|1,1,0]=4 3434 B13R1.90 OCc1nccnc1SCC(F)F 62a_100011934356_100000057004 [0,2,0,0,0,0|1,1,0]=4 3435 B13R1.485 C#CCNc1nccnc1OCC 27a_100000212058_200010128176 [0,2,0,0,0,0|0,0,1]=3 3436 B13R1.485 C#CCOc1cccnc1OCC 34a_100011998697_100000184674 [0,2,0,0,0,0|1,0,1]=4 3437 B13R1.485 C#CCSc1cccnc1OCC 62a_100000038162_100011465154 [0,2,0,0,0,0|1,0,1]=4 3438 B13R1.485 C#CCSc1ncccc1OCC 62a_100000038162_100011597540 [0,2,0,0,0,0|1,0,1]=4 3439 B13R1.485 C#CCSc1nccnc1OCC 62a_100000038162_200010128176 [0,2,0,0,0,0|0,0,1]=3 3440 B13R1.485 C=CCNc1nccnc1OCC 27a_100020586998_200010128176 [0,2,0,0,0,0|0,0,1]=3 3441 B13R1.485 C=CCOc1cccnc1OCC 34a_100011998697_100015514636 [0,2,0,0,0,0|1,0,1]=4 3442 B13R1.485 C=CCSc1cccnc1OCC 62a_100000210623_100011465154 [0,2,0,0,0,0|1,0,1]=4 3443 B13R1.485 C=CCSc1cccnc1OCC 62a_100011465154_100000210623 [0,2,0,0,0,0|1,0,1]=4 3444 B13R1.485 C=CCSc1ncccc1OCC 62a_100000210623_100011597540 [0,2,0,0,0,0|1,0,1]=4 3445 B13R1.485 C=CCSc1ncccc1OCC 62a_100011597540_100000210623 [0,2,0,0,0,0|1,0,1]=4 3446 B13R1.485 C=CCSc1nccnc1OCC 62a_100000210623_200010128176 [0,2,0,0,0,0|0,0,1]=3 3447 B13R1.485 C=CCSc1nccnc1OCC 62a_200010128176_100000210623 [0,2,0,0,0,0|0,0,1]=3 3448 B13R1.485 CC=Cc1cccnc1OCCC 271570a_100016259895_200011465209 [0,2,0,0,0,0|1,0,1]=4 3449 B13R1.485 CC=Cc1ncccc1OCCF 271570a_100016259895_100012814765 [0,2,0,0,0,0|1,0,1]=4 3450 B13R1.485 CC=Cc1ncccc1OCOC 271570a_100016259895_100011935308 [0,2,0,0,0,0|1,0,1]=4 3451 B13R1.485 CC=Cc1nccnc1NCCO 271570a_100016259895_200011219046 [0,2,0,0,0,0|1,0,1]=4 3452 B13R1.485 CCCCc1ccccc1OCC 271570a_100020621405_100000230754 [0,2,0,0,0,0|2,0,0]=4 3453 B13R1.485 CCCCc1cccnc1OCC 271570a_100020621405_100011465154 [0,2,0,0,0,0|1,0,0]=3 3454 B13R1.485 CCCCc1ncccc1CNC 271570a_100020621405_103496529121 [0,2,0,0,0,0|2,0,0]=4 3455 B13R1.485 CCCCc1ncccc1OCC 271570a_100020621405_100011597540 [0,2,0,0,0,0|1,0,0]=3 3456 B13R1.485 CCCCc1nccnc1OCC 271570a_100020621405_200010128176 [0,2,0,0,0,0|0,0,0]=2 3457 B13R1.485 CCCNc1ccccc1OCC 34a_100000211218_100000210303 [0,2,0,0,0,0|2,0,0]=4 3458 B13R1.485 CCCOc1ccccc1CCBr 34a_100000722297_100000210303 [0,2,0,0,0,0|2,0,0]=4 3459 B13R1.485 CCCOc1ccccc1CCBr 7a_100000722297_100000210303 [0,2,0,0,0,0|2,0,0]=4 3460 B13R1.485 CCCOc1ccccc1CCC 34a_100011217252_100000210303 [0,2,0,0,0,0|2,0,0]=4 3461 B13R1.485 CCCOc1ccccc1CCC 7a_100011217252_100000210303 [0,2,0,0,0,0|2,0,0]=4 3462 B13R1.485 CCCOc1ccccc1CCN 34a_100011207237_100000210303 [0,2,0,0,0,0|2,0,0]=4 3463 B13R1.485 CCCOc1ccccc1CCO 34a_100000719421_100000210303 [0,2,0,0,0,0|2,0,0]=4 3464 B13R1.485 CCCOc1ccccc1CCO 7a_100000719421_100000210303 [0,2,0,0,0,0|2,0,0]=4 3465 B13R1.485 CCCOc1ccccc1CNC 207a_100102657272_100000169845 [0,2,0,0,0,0|2,0,0]=4 3466 B13R1.485 CCCOc1ccccc1CNC 270004a_106832991635_100000169845 [0,2,0,0,0,0|2,0,0]=4 3467 B13R1.485 CCCOc1ccccc1CNC 34a_100015189988_100000210303 [0,2,0,0,0,0|2,0,0]=4 3468 B13R1.485 CCCOc1ccccc1COC 34a_100011232767_200000210301 [0,2,0,0,0,0|2,0,0]=4 3469 B13R1.485 CCCOc1ccccc1COC 34a_100011488565_100000210303 [0,2,0,0,0,0|2,0,0]=4 3470 B13R1.485 CCCOc1ccccc1COC 7a_100011232767_200000210301 [0,2,0,0,0,0|2,0,0]=4 3471 B13R1.485 CCCOc1ccccc1COC 7a_100011488565_100000210303 [0,2,0,0,0,0|2,0,0]=4 3472 B13R1.485 CCCOc1ccccc1CO[13CH3] 34a_100011232767_200025704644 [0,2,0,0,0,0|2,0,0]=4 3473 B13R1.485 CCCOc1ccccc1CO[13CH3] 7a_100011232767_200025704644 [0,2,0,0,0,0|2,0,0]=4 3474 B13R1.485 CCCOc1ccccc1NCC 27a_100015525214_100000174042 [0,2,0,0,0,0|2,0,0]=4 3475 B13R1.485 CCCOc1ccccc1NCC 34a_100000683936_100000210202 [0,2,0,0,0,0|2,0,0]=4 3476 B13R1.485 CCCOc1ccccc1NCC 34a_103624766699_100000210303 [0,2,0,0,0,0|2,0,0]=4 3477 B13R1.485 CCCOc1ccccc1NCC 7a_103624766699_100000210303 [0,2,0,0,0,0|2,0,0]=4 3478 B13R1.485 CCCOc1ccccc1OCC 34a_100000180214_100000210202 [0,2,0,0,0,0|2,0,0]=4 3479 B13R1.485 CCCOc1ccccc1OCC 34a_100000211404_100000210303 [0,2,0,0,0,0|2,0,0]=4 3480 B13R1.485 CCCOc1ccccc1OCC 7a_100000180214_100000210202 [0,2,0,0,0,0|2,0,0]=4 3481 B13R1.485 CCCOc1ccccc1OCC 7a_100000211404_100000210303 [0,2,0,0,0,0|2,0,0]=4 3482 B13R1.485 CCCOc1ccccc1SCC 62a_100000174042_100000210202 [0,2,0,0,0,0|2,0,0]=4 3483 B13R1.485 CCCOc1ccccc1SCC 62a_100000210202_100000174042 [0,2,0,0,0,0|2,0,0]=4 3484 B13R1.485 CCCOc1cccnc1OCC 34a_100011998697_100000210303 [0,2,0,0,0,0|1,0,0]=3 3485 B13R1.485 CCCOc1ncccc1CNC 207a_100102657272_200011290810 [0,2,0,0,0,0|1,0,0]=3 3486 B13R1.485 CCCOc1ncccc1CNC 270004a_106832991635_200011290810 [0,2,0,0,0,0|1,0,0]=3 3487 B13R1.485 CCCOc1ncccc1SCC 62a_100000210202_200011465209 [0,2,0,0,0,0|1,0,0]=3 3488 B13R1.485 CCCOc1ncccc1SCC 62a_200011465209_100000210202 [0,2,0,0,0,0|1,0,0]=3 3489 B13R1.485 CCCOc1ncccc1SCF 62a_100015361967_200011465209 [0,2,0,0,0,0|2,0,0]=4 3490 B13R1.485 CCCOc1ncccc1SCF 62a_200011465209_100015361967 [0,2,0,0,0,0|2,0,0]=4 3491 B13R1.485 CCCSc1ccccc1OCC 62a_100000210303_100000230754 [0,2,0,0,0,0|2,0,0]=4 3492 B13R1.485 CCCSc1ccccc1OCC 62a_100000230754_100000210303 [0,2,0,0,0,0|2,0,0]=4 3493 B13R1.485 CCCSc1cccnc1OCC 62a_100000210303_100011465154 [0,2,0,0,0,0|1,0,0]=3 3494 B13R1.485 CCCSc1cccnc1OCC 62a_100011465154_100000210303 [0,2,0,0,0,0|1,0,0]=3 3495 B13R1.485 CCCSc1ncccc1CNC 62a_100000210303_103496529121 [0,2,0,0,0,0|1,1,0]=4 3496 B13R1.485 CCCSc1ncccc1CNC 62a_103496529121_100000210303 [0,2,0,0,0,0|1,1,0]=4 3497 B13R1.485 CCCSc1ncccc1OCC 62a_100000210303_100011597540 [0,2,0,0,0,0|1,0,0]=3 3498 B13R1.485 CCCSc1ncccc1OCC 62a_100011597540_100000210303 [0,2,0,0,0,0|1,0,0]=3 3499 B13R1.485 CCCSc1nccnc1OCC 62a_100000210303_200010128176 [0,2,0,0,0,0|0,0,0]=2 3500 B13R1.485 CCCSc1nccnc1OCC 62a_200010128176_100000210303 [0,2,0,0,0,0|0,0,0]=2 3501 B13R1.485 CCCc1ccccc1OCCF 34a_100011217252_100011217306 [0,2,0,0,0,0|2,0,0]=4 3502 B13R1.485 CCCc1ccccc1OCCF 7a_100011217252_100011217306 [0,2,0,0,0,0|2,0,0]=4 3503 B13R1.485 CCCc1ccccc1OCCO 34a_100011217252_100000211926 [0,2,0,0,0,0|2,0,0]=4 3504 B13R1.485 CCCc1ccccc1OCCO 7a_100011217252_100000211926 [0,2,0,0,0,0|2,0,0]=4 3505 B13R1.485 CCCc1ccccc1OCSC 34a_100011217252_100011218213 [0,2,0,0,0,0|2,0,0]=4 3506 B13R1.485 CCNCc1ccccc1OCC 207a_100015525214_100000169843 [0,2,0,0,0,0|2,0,0]=4 3507 B13R1.485 CCNCc1ccccc1OCC 270004a_100015525214_100000169843 [0,2,0,0,0,0|2,0,0]=4 3508 B13R1.485 CCNCc1cccnc1OCC 207a_100015525214_100011290805 [0,2,0,0,0,0|1,0,0]=3 3509 B13R1.485 CCNCc1cccnc1OCC 270004a_100015525214_100011290805 [0,2,0,0,0,0|1,0,0]=3 3510 B13R1.485 CCNCc1ncccc1OCC 207a_100015525214_100009876934 [0,2,0,0,0,0|1,0,0]=3 3511 B13R1.485 CCNCc1ncccc1OCC 270004a_100015525214_100009876934 [0,2,0,0,0,0|1,0,0]=3 3512 B13R1.485 CCNc1ccccc1OCCF 34a_100012000959_100000210202 [0,2,0,0,0,0|2,0,0]=4 3513 B13R1.485 CCNc1ccccc1OCCF 34a_103624766699_100011217306 [0,2,0,0,0,0|2,0,0]=4 3514 B13R1.485 CCNc1ccccc1OCCF 7a_103624766699_100011217306 [0,2,0,0,0,0|2,0,0]=4 3515 B13R1.485 CCNc1ccccc1OCCO 34a_100132302172_100000210202 [0,2,0,0,0,0|2,0,0]=4 3516 B13R1.485 CCNc1ccccc1OCCO 34a_103624766699_100000211926 [0,2,0,0,0,0|2,0,0]=4 3517 B13R1.485 CCNc1ccccc1OCCO 7a_103624766699_100000211926 [0,2,0,0,0,0|2,0,0]=4 3518 B13R1.485 CCNc1ccccc1OCSC 34a_103624766699_100011218213 [0,2,0,0,0,0|2,0,0]=4 3519 B13R1.485 CCNc1ncccc1OCCF 27a_100015525214_100012814765 [0,2,0,0,0,0|1,0,0]=3 3520 B13R1.485 CCOCc1ccccc1OCC 34a_100000708577_100000210202 [0,2,0,0,0,0|2,0,0]=4 3521 B13R1.485 CCOCc1ccccc1OCC 7a_100000708577_100000210202 [0,2,0,0,0,0|2,0,0]=4 3522 B13R1.485 CCOCc1ccccc1SCC 62a_100000210202_200011493690 [0,2,0,0,0,0|2,0,0]=4 3523 B13R1.485 CCOCc1ccccc1SCC 62a_200011493690_100000210202 [0,2,0,0,0,0|2,0,0]=4 3524 B13R1.485 CCOc1ccccc1CCNC 2230a_100000750806_200000210301 [0,2,0,0,0,0|2,0,0]=4 3525 B13R1.485 CCOc1ccccc1CCNC 34a_100000750806_200000210301 [0,2,0,0,0,0|2,0,0]=4 3526 B13R1.485 CCOc1ccccc1CCN[13CH3] 2230a_100000750806_200025704644 [0,2,0,0,0,0|2,0,0]=4 3527 B13R1.485 CCOc1ccccc1CCN[13CH3] 34a_100000750806_200025704644 [0,2,0,0,0,0|2,0,0]=4 3528 B13R1.485 CCOc1ccccc1CCOC 34a_100000722730_100000210202 [0,2,0,0,0,0|2,0,0]=4 3529 B13R1.485 CCOc1ccccc1CCOC 34a_100011754905_200000210301 [0,2,0,0,0,0|2,0,0]=4 3530 B13R1.485 CCOc1ccccc1CCOC 7a_100000722730_100000210202 [0,2,0,0,0,0|2,0,0]=4 3531 B13R1.485 CCOc1ccccc1CCOC 7a_100011754905_200000210301 [0,2,0,0,0,0|2,0,0]=4 3532 B13R1.485 CCOc1ccccc1CCO[13CH3] 34a_100011754905_200025704644 [0,2,0,0,0,0|2,0,0]=4 3533 B13R1.485 CCOc1ccccc1CCO[13CH3] 7a_100011754905_200025704644 [0,2,0,0,0,0|2,0,0]=4 3534 B13R1.485 CCOc1ccccc1COCF 34a_100000708577_100015361967 [0,2,0,0,0,0|2,0,0]=4 3535 B13R1.485 CCOc1ccccc1COCF 7a_100000708577_100015361967 [0,2,0,0,0,0|2,0,0]=4 3536 B13R1.485 CCOc1ccccc1NCCF 34a_100000211218_100011217306 [0,2,0,0,0,0|2,0,0]=4 3537 B13R1.485 CCOc1ccccc1NCCO 34a_100000211218_100000211926 [0,2,0,0,0,0|2,0,0]=4 3538 B13R1.485 CCOc1ccccc1NCSC 34a_100000211218_100011218213 [0,2,0,0,0,0|2,0,0]=4 3539 B13R1.485 CCOc1ccccc1OCCF 34a_100000211404_100011217306 [0,2,0,0,0,0|2,0,0]=4 3540 B13R1.485 CCOc1ccccc1OCCF 7a_100000211404_100011217306 [0,2,0,0,0,0|2,0,0]=4 3541 B13R1.485 CCOc1ccccc1OCCO 34a_100000181789_100000210202 [0,2,0,0,0,0|2,0,0]=4 3542 B13R1.485 CCOc1ccccc1OCCO 34a_100000211404_100000211926 [0,2,0,0,0,0|2,0,0]=4 3543 B13R1.485 CCOc1ccccc1OCCO 7a_100000181789_100000210202 [0,2,0,0,0,0|2,0,0]=4 3544 B13R1.485 CCOc1ccccc1OCCO 7a_100000211404_100000211926 [0,2,0,0,0,0|2,0,0]=4 3545 B13R1.485 CCOc1ccccc1OCSC 34a_100000211404_100011218213 [0,2,0,0,0,0|2,0,0]=4 3546 B13R1.485 CCOc1ccccc1SCCF 62a_100000230754_100011217306 [0,2,0,0,0,0|2,0,0]=4 3547 B13R1.485 CCOc1ccccc1SCCF 62a_100011217306_100000230754 [0,2,0,0,0,0|2,0,0]=4 3548 B13R1.485 CCOc1ccccc1SCCO 62a_100000211926_100000230754 [0,2,0,0,0,0|2,0,0]=4 3549 B13R1.485 CCOc1ccccc1SCCO 62a_100000230754_100000211926 [0,2,0,0,0,0|2,0,0]=4 3550 B13R1.485 CCOc1ccccc1SCOC 62a_100000230754_100000766300 [0,2,0,0,0,0|2,0,0]=4 3551 B13R1.485 CCOc1ccccc1SCOC 62a_100000766300_100000230754 [0,2,0,0,0,0|2,0,0]=4 3552 B13R1.485 CCOc1ccccc1SCSC 62a_100000230754_100011218213 [0,2,0,0,0,0|2,0,0]=4 3553 B13R1.485 CCOc1ccccc1SCSC 62a_100011218213_100000230754 [0,2,0,0,0,0|2,0,0]=4 3554 B13R1.485 CCOc1cccnc1SCC#N 62a_100011215382_100011597540 [0,2,0,0,0,0|1,0,1]=4 3555 B13R1.485 CCOc1cccnc1SCC#N 62a_100011597540_100011215382 [0,2,0,0,0,0|1,0,1]=4 3556 B13R1.485 CCOc1cccnc1SCC=O 62a_100011597540_200015260668 [0,2,0,0,0,0|1,0,1]=4 3557 B13R1.485 CCOc1cccnc1SCC=O 62a_200015260668_100011597540 [0,2,0,0,0,0|1,0,1]=4 3558 B13R1.485 CCOc1cccnc1SCCF 62a_100011217306_100011597540 [0,2,0,0,0,0|1,0,0]=3 3559 B13R1.485 CCOc1cccnc1SCCF 62a_100011597540_100011217306 [0,2,0,0,0,0|1,0,0]=3 3560 B13R1.485 CCOc1cccnc1SCCO 62a_100000211926_100011597540 [0,2,0,0,0,0|1,0,0]=3 3561 B13R1.485 CCOc1cccnc1SCCO 62a_100011597540_100000211926 [0,2,0,0,0,0|1,0,0]=3 3562 B13R1.485 CCOc1cccnc1SCOC 62a_100000766300_100011597540 [0,2,0,0,0,0|1,0,0]=3 3563 B13R1.485 CCOc1cccnc1SCOC 62a_100011597540_100000766300 [0,2,0,0,0,0|1,0,0]=3 3564 B13R1.485 CCOc1cccnc1SCSC 62a_100011218213_100011597540 [0,2,0,0,0,0|1,0,0]=3 3565 B13R1.485 CCOc1cccnc1SCSC 62a_100011597540_100011218213 [0,2,0,0,0,0|1,0,0]=3 3566 B13R1.485 CCOc1ncccc1OCC=O 34a_100011998697_200009817547 [0,2,0,0,0,0|1,0,1]=4 3567 B13R1.485 CCOc1ncccc1OCCF 34a_100011998697_100011217306 [0,2,0,0,0,0|1,0,0]=3 3568 B13R1.485 CCOc1ncccc1OCCO 34a_100011998697_100000211926 [0,2,0,0,0,0|1,0,0]=3 3569 B13R1.485 CCOc1ncccc1OCSC 34a_100011998697_100011218213 [0,2,0,0,0,0|1,0,0]=3 3570 B13R1.485 CCOc1ncccc1SCC#N 62a_100011215382_100011465154 [0,2,0,0,0,0|1,0,1]=4 3571 B13R1.485 CCOc1ncccc1SCC#N 62a_100011465154_100011215382 [0,2,0,0,0,0|1,0,1]=4 3572 B13R1.485 CCOc1ncccc1SCC=O 62a_100011465154_200015260668 [0,2,0,0,0,0|1,0,1]=4 3573 B13R1.485 CCOc1ncccc1SCC=O 62a_200015260668_100011465154 [0,2,0,0,0,0|1,0,1]=4 3574 B13R1.485 CCOc1ncccc1SCCF 62a_100011217306_100011465154 [0,2,0,0,0,0|1,0,0]=3 3575 B13R1.485 CCOc1ncccc1SCCF 62a_100011465154_100011217306 [0,2,0,0,0,0|1,0,0]=3 3576 B13R1.485 CCOc1ncccc1SCCO 62a_100000211926_100011465154 [0,2,0,0,0,0|1,0,0]=3 3577 B13R1.485 CCOc1ncccc1SCCO 62a_100011465154_100000211926 [0,2,0,0,0,0|1,0,0]=3 3578 B13R1.485 CCOc1ncccc1SCOC 62a_100000766300_100011465154 [0,2,0,0,0,0|1,0,0]=3 3579 B13R1.485 CCOc1ncccc1SCOC 62a_100011465154_100000766300 [0,2,0,0,0,0|1,0,0]=3 3580 B13R1.485 CCOc1ncccc1SCSC 62a_100011218213_100011465154 [0,2,0,0,0,0|1,0,0]=3 3581 B13R1.485 CCOc1ncccc1SCSC 62a_100011465154_100011218213 [0,2,0,0,0,0|1,0,0]=3 3582 B13R1.485 CCOc1nccnc1NCCO 27a_100000210304_200010128176 [0,2,0,0,0,0|0,0,0]=2 3583 B13R1.485 CCOc1nccnc1SCC#N 62a_100011215382_200010128176 [0,2,0,0,0,0|0,0,1]=3 3584 B13R1.485 CCOc1nccnc1SCC#N 62a_200010128176_100011215382 [0,2,0,0,0,0|0,0,1]=3 3585 B13R1.485 CCOc1nccnc1SCC=O 62a_200010128176_200015260668 [0,2,0,0,0,0|0,0,1]=3 3586 B13R1.485 CCOc1nccnc1SCC=O 62a_200015260668_200010128176 [0,2,0,0,0,0|0,0,1]=3 3587 B13R1.485 CCOc1nccnc1SCCF 62a_100011217306_200010128176 [0,2,0,0,0,0|0,0,0]=2 3588 B13R1.485 CCOc1nccnc1SCCF 62a_200010128176_100011217306 [0,2,0,0,0,0|0,0,0]=2 3589 B13R1.485 CCOc1nccnc1SCCO 62a_100000211926_200010128176 [0,2,0,0,0,0|0,0,0]=2 3590 B13R1.485 CCOc1nccnc1SCCO 62a_200010128176_100000211926 [0,2,0,0,0,0|0,0,0]=2 3591 B13R1.485 CCOc1nccnc1SCOC 62a_100000766300_200010128176 [0,2,0,0,0,0|0,0,0]=2 3592 B13R1.485 CCOc1nccnc1SCOC 62a_200010128176_100000766300 [0,2,0,0,0,0|0,0,0]=2 3593 B13R1.485 CCOc1nccnc1SCSC 62a_100011218213_200010128176 [0,2,0,0,0,0|0,0,0]=2 3594 B13R1.485 CCOc1nccnc1SCSC 62a_200010128176_100011218213 [0,2,0,0,0,0|0,0,0]=2 3595 B13R1.485 CCSc1ccccc1OCCN 62a_100000210202_100000744007 [0,2,0,0,0,0|2,0,0]=4 3596 B13R1.485 CCSc1ccccc1OCCN 62a_100000744007_100000210202 [0,2,0,0,0,0|2,0,0]=4 3597 B13R1.485 CCSc1ccccc1OCCO 62a_100000210202_100000230753 [0,2,0,0,0,0|2,0,0]=4 3598 B13R1.485 CCSc1ccccc1OCCO 62a_100000230753_100000210202 [0,2,0,0,0,0|2,0,0]=4 3599 B13R1.485 CCSc1ccccc1OCOC 62a_100000210202_200000230759 [0,2,0,0,0,0|2,0,0]=4 3600 B13R1.485 CCSc1ccccc1OCOC 62a_200000230759_100000210202 [0,2,0,0,0,0|2,0,0]=4 3601 B13R1.485 CCSc1cccnc1NCCO 62a_100000210202_200011464885 [0,2,0,0,0,0|1,1,0]=4 3602 B13R1.485 CCSc1cccnc1NCCO 62a_200011464885_100000210202 [0,2,0,0,0,0|1,1,0]=4 3603 B13R1.485 CCSc1ncccc1OCCF 62a_100000210202_100012814765 [0,2,0,0,0,0|1,0,0]=3 3604 B13R1.485 CCSc1ncccc1OCCF 62a_100012814765_100000210202 [0,2,0,0,0,0|1,0,0]=3 3605 B13R1.485 CCSc1ncccc1OCOC 62a_100000210202_100011935308 [0,2,0,0,0,0|1,0,0]=3 3606 B13R1.485 CCSc1ncccc1OCOC 62a_100011935308_100000210202 [0,2,0,0,0,0|1,0,0]=3 3607 B13R1.485 CCSc1nccnc1NCCO 62a_100000210202_200011219046 [0,2,0,0,0,0|0,1,0]=3 3608 B13R1.485 CCSc1nccnc1NCCO 62a_200011219046_100000210202 [0,2,0,0,0,0|0,1,0]=3 3609 B13R1.485 CNCc1ccccc1OCCF 34a_100015189988_100011217306 [0,2,0,0,0,0|2,0,0]=4 3610 B13R1.485 CNCc1ccccc1OCCO 207a_100102657272_100011217318 [0,2,0,0,0,0|2,0,0]=4 3611 B13R1.485 CNCc1ccccc1OCCO 270004a_106832991635_100011217318 [0,2,0,0,0,0|2,0,0]=4 3612 B13R1.485 CNCc1ccccc1OCCO 34a_100015189988_100000211926 [0,2,0,0,0,0|2,0,0]=4 3613 B13R1.485 CNCc1ccccc1OCSC 34a_100015189988_100011218213 [0,2,0,0,0,0|2,0,0]=4 3614 B13R1.485 CNCc1cccnc1SCCF 62a_100011217306_103496529121 [0,2,0,0,0,0|1,1,0]=4 3615 B13R1.485 CNCc1cccnc1SCCF 62a_103496529121_100011217306 [0,2,0,0,0,0|1,1,0]=4 3616 B13R1.485 CNCc1cccnc1SCCO 62a_100000211926_103496529121 [0,2,0,0,0,0|1,1,0]=4 3617 B13R1.485 CNCc1cccnc1SCCO 62a_103496529121_100000211926 [0,2,0,0,0,0|1,1,0]=4 3618 B13R1.485 CNCc1cccnc1SCOC 62a_100000766300_103496529121 [0,2,0,0,0,0|1,1,0]=4 3619 B13R1.485 CNCc1cccnc1SCOC 62a_103496529121_100000766300 [0,2,0,0,0,0|1,1,0]=4 3620 B13R1.485 CNCc1cccnc1SCSC 62a_100011218213_103496529121 [0,2,0,0,0,0|1,1,0]=4 3621 B13R1.485 CNCc1cccnc1SCSC 62a_103496529121_100011218213 [0,2,0,0,0,0|1,1,0]=4 3622 B13R1.485 COCOc1cccnc1SCF 62a_100011935308_100015361967 [0,2,0,0,0,0|2,0,0]=4 3623 B13R1.485 COCOc1cccnc1SCF 62a_100015361967_100011935308 [0,2,0,0,0,0|2,0,0]=4 3624 B13R1.485 COCc1ccccc1OCCF 34a_100011488565_100011217306 [0,2,0,0,0,0|2,0,0]=4 3625 B13R1.485 COCc1ccccc1OCCF 7a_100011488565_100011217306 [0,2,0,0,0,0|2,0,0]=4 3626 B13R1.485 COCc1ccccc1OCCO 34a_100011488565_100000211926 [0,2,0,0,0,0|2,0,0]=4 3627 B13R1.485 COCc1ccccc1OCCO 7a_100011488565_100000211926 [0,2,0,0,0,0|2,0,0]=4 3628 B13R1.485 COCc1ccccc1OCSC 34a_100011488565_100011218213 [0,2,0,0,0,0|2,0,0]=4 3629 B13R1.485 CSCOc1ccccc1CCBr 34a_100000722297_100011218213 [0,2,0,0,0,0|2,0,0]=4 3630 B13R1.485 CSCOc1ccccc1CCN 34a_100011207237_100011218213 [0,2,0,0,0,0|2,0,0]=4 3631 B13R1.485 CSCOc1ccccc1CCO 34a_100000719421_100011218213 [0,2,0,0,0,0|2,0,0]=4 3632 B13R1.485 FCCOc1ccccc1CCBr 34a_100000722297_100011217306 [0,2,0,0,0,0|2,0,0]=4 3633 B13R1.485 FCCOc1ccccc1CCBr 7a_100000722297_100011217306 [0,2,0,0,0,0|2,0,0]=4 3634 B13R1.485 FCCOc1cccnc1SCF 62a_100012814765_100015361967 [0,2,0,0,0,0|2,0,0]=4 3635 B13R1.485 FCCOc1cccnc1SCF 62a_100015361967_100012814765 [0,2,0,0,0,0|2,0,0]=4 3636 B13R1.485 NCCc1ccccc1OCCF 34a_100011207237_100011217306 [0,2,0,0,0,0|2,0,0]=4 3637 B13R1.485 NCCc1ccccc1OCCO 34a_100011207237_100000211926 [0,2,0,0,0,0|2,0,0]=4 3638 B13R1.485 OCCNc1nccnc1SCF 62a_100015361967_200011219046 [0,2,0,0,0,0|1,1,0]=4 3639 B13R1.485 OCCNc1nccnc1SCF 62a_200011219046_100015361967 [0,2,0,0,0,0|1,1,0]=4 3640 B13R1.485 OCCOc1ccccc1CCBr 34a_100000722297_100000211926 [0,2,0,0,0,0|2,0,0]=4 3641 B13R1.485 OCCOc1ccccc1CCBr 7a_100000722297_100000211926 [0,2,0,0,0,0|2,0,0]=4 3642 B13R1.485 OCCOc1ccccc1CCO 34a_100000719421_100000211926 [0,2,0,0,0,0|2,0,0]=4 3643 B13R1.485 OCCOc1ccccc1CCO 7a_100000719421_100000211926 [0,2,0,0,0,0|2,0,0]=4 3644 B13R1.485 OCCc1ccccc1OCCF 34a_100000719421_100011217306 [0,2,0,0,0,0|2,0,0]=4 3645 B13R1.485 OCCc1ccccc1OCCF 7a_100000719421_100011217306 [0,2,0,0,0,0|2,0,0]=4 3646 B13R1.556 CCCCc1cc(cnc1CC)N 271570a_100020621405_100013085292 [0,2,0,0,0,0|2,0,0]=4 3647 B13R1.556 CCCOc1cc(cnc1OC)Br 34a_100010135713_100000210303 [0,2,0,0,0,0|2,0,0]=4 3648 B13R1.556 CCCSc1cc(cnc1CC)N 62a_100000210303_100013085292 [0,2,0,0,0,0|1,1,0]=4 3649 B13R1.556 CCCSc1cc(cnc1CC)N 62a_100013085292_100000210303 [0,2,0,0,0,0|1,1,0]=4 3650 B13R1.556 CCOCc1cc(ccc1CC)Br 34a_100010766240_100000210202 [0,2,0,0,0,0|2,0,0]=4 3651 B13R1.556 CCOCc1cc(ccc1CC)Br 7a_100010766240_100000210202 [0,2,0,0,0,0|2,0,0]=4 3652 B13R1.556 CCOCc1cc(cnc1OC)Br 34a_100000695684_100000210202 [0,2,0,0,0,0|2,0,0]=4 3653 B13R1.556 CCOCc1cc(cnc1OC)Br 34a_100121572206_100010065838 [0,2,0,0,0,0|2,0,0]=4 3654 B13R1.556 CCOCc1cc(cnc1OC)F 34a_100011997213_100000210202 [0,2,0,0,0,0|2,0,0]=4 3655 B13R1.556 CCc1ncc(cc1SCCF)N 62a_100011217306_100013085292 [0,2,0,0,0,0|1,1,0]=4 3656 B13R1.556 CCc1ncc(cc1SCCF)N 62a_100013085292_100011217306 [0,2,0,0,0,0|1,1,0]=4 3657 B13R1.556 CCc1ncc(cc1SCCO)N 62a_100000211926_100013085292 [0,2,0,0,0,0|1,1,0]=4 3658 B13R1.556 CCc1ncc(cc1SCCO)N 62a_100013085292_100000211926 [0,2,0,0,0,0|1,1,0]=4 3659 B13R1.556 CCc1ncc(cc1SCOC)N 62a_100000766300_100013085292 [0,2,0,0,0,0|1,1,0]=4 3660 B13R1.556 CCc1ncc(cc1SCOC)N 62a_100013085292_100000766300 [0,2,0,0,0,0|1,1,0]=4 3661 B13R1.556 CCc1ncc(cc1SCSC)N 62a_100011218213_100013085292 [0,2,0,0,0,0|1,1,0]=4 3662 B13R1.556 CCc1ncc(cc1SCSC)N 62a_100013085292_100011218213 [0,2,0,0,0,0|1,1,0]=4 3663 B13R1.556 COc1ncc(cc1OCCF)Br 34a_100010135713_100011217306 [0,2,0,0,0,0|2,0,0]=4 3664 B13R1.556 COc1ncc(cc1OCCO)Br 34a_100010135713_100000211926 [0,2,0,0,0,0|2,0,0]=4 3665 B13R1.556 COc1ncc(cc1OCSC)Br 34a_100010135713_100011218213 [0,2,0,0,0,0|2,0,0]=4 3666 B13R1.572 C#CCOc1cccnc1C(C)C 34a_100012183336_100000184674 [0,2,0,0,0,0|1,0,1]=4 3667 B13R1.572 C#CCOc1cccnc1C(C)C 7a_100012183336_100000038162 [0,2,0,0,0,0|1,0,1]=4 3668 B13R1.572 C=C(C)c1cccnc1OCCC 271570a_100000694244_200011465209 [0,2,0,0,0,0|1,0,1]=4 3669 B13R1.572 C=C(C)c1ncccc1OCCF 271570a_100000694244_100012814765 [0,2,0,0,0,0|1,0,1]=4 3670 B13R1.572 C=C(C)c1ncccc1OCOC 271570a_100000694244_100011935308 [0,2,0,0,0,0|1,0,1]=4 3671 B13R1.572 C=C(C)c1nccnc1NCCO 271570a_100000694244_200011219046 [0,2,0,0,0,0|1,0,1]=4 3672 B13R1.572 C=CCOc1cccnc1C(C)C 34a_100012183336_100015514636 [0,2,0,0,0,0|1,0,1]=4 3673 B13R1.572 C=CCOc1cccnc1C(C)C 7a_100012183336_100015514636 [0,2,0,0,0,0|1,0,1]=4 3674 B13R1.572 CC(=O)c1ncccc1OCCF 34a_100000087166_100011217306 [0,2,0,0,0,0|1,0,1]=4 3675 B13R1.572 CC(=O)c1ncccc1OCCF 7a_100000087166_100011217306 [0,2,0,0,0,0|1,0,1]=4 3676 B13R1.572 CC(=O)c1ncccc1OCCO 34a_100000087166_100000211926 [0,2,0,0,0,0|1,0,1]=4 3677 B13R1.572 CC(=O)c1ncccc1OCCO 7a_100000087166_100000211926 [0,2,0,0,0,0|1,0,1]=4 3678 B13R1.572 CC(=O)c1nccnc1NCCO 27a_100000210304_100000099859 [0,2,0,0,0,0|1,0,1]=4 3679 B13R1.572 CC(=O)c1nccnc1SCCF 62a_100000099859_100011217306 [0,2,0,0,0,0|0,1,1]=4 3680 B13R1.572 CC(=O)c1nccnc1SCCF 62a_100011217306_100000099859 [0,2,0,0,0,0|0,1,1]=4 3681 B13R1.572 CC(=O)c1nccnc1SCCO 62a_100000099859_100000211926 [0,2,0,0,0,0|0,1,1]=4 3682 B13R1.572 CC(=O)c1nccnc1SCCO 62a_100000211926_100000099859 [0,2,0,0,0,0|0,1,1]=4 3683 B13R1.572 CC(C)c1ccccc1OCCF 34a_100000211617_100011217306 [0,2,0,0,0,0|2,0,0]=4 3684 B13R1.572 CC(C)c1ccccc1OCCF 7a_100000211617_100011217306 [0,2,0,0,0,0|2,0,0]=4 3685 B13R1.572 CC(C)c1ccccc1OCCO 34a_100000211617_100000211926 [0,2,0,0,0,0|2,0,0]=4 3686 B13R1.572 CC(C)c1ccccc1OCCO 7a_100000211617_100000211926 [0,2,0,0,0,0|2,0,0]=4 3687 B13R1.572 CC(C)c1cccnc1COCF 34a_200009878718_100015361967 [0,2,0,0,0,0|2,0,0]=4 3688 B13R1.572 CC(C)c1cccnc1SCCF 62a_100011217306_200010382935 [0,2,0,0,0,0|1,1,0]=4 3689 B13R1.572 CC(C)c1cccnc1SCCF 62a_200010382935_100011217306 [0,2,0,0,0,0|1,1,0]=4 3690 B13R1.572 CC(C)c1cccnc1SCCO 62a_100000211926_200010382935 [0,2,0,0,0,0|1,1,0]=4 3691 B13R1.572 CC(C)c1cccnc1SCCO 62a_200010382935_100000211926 [0,2,0,0,0,0|1,1,0]=4 3692 B13R1.572 CC(C)c1ncccc1OCC#N 7a_100012183336_100011215382 [0,2,0,0,0,0|1,0,1]=4 3693 B13R1.572 CC(C)c1ncccc1OCC=O 34a_100012183336_200009817547 [0,2,0,0,0,0|1,0,1]=4 3694 B13R1.572 CC(C)c1ncccc1OCC=O 7a_100012183336_200015260668 [0,2,0,0,0,0|1,0,1]=4 3695 B13R1.572 CC(C)c1ncccc1OCCF 34a_100012183336_100011217306 [0,2,0,0,0,0|1,0,0]=3 3696 B13R1.572 CC(C)c1ncccc1OCCF 7a_100012183336_100011217306 [0,2,0,0,0,0|1,0,0]=3 3697 B13R1.572 CC(C)c1ncccc1OCCO 34a_100012183336_100000211926 [0,2,0,0,0,0|1,0,0]=3 3698 B13R1.572 CC(C)c1ncccc1OCCO 7a_100012183336_100000211926 [0,2,0,0,0,0|1,0,0]=3 3699 B13R1.572 CC(N)c1ncccc1SCCF 62a_100011217306_100159271932 [0,2,0,0,0,0|1,1,0]=4 3700 B13R1.572 CC(N)c1ncccc1SCCF 62a_100159271932_100011217306 [0,2,0,0,0,0|1,1,0]=4 3701 B13R1.572 CC(N)c1ncccc1SCCO 62a_100000211926_100159271932 [0,2,0,0,0,0|1,1,0]=4 3702 B13R1.572 CC(N)c1ncccc1SCCO 62a_100159271932_100000211926 [0,2,0,0,0,0|1,1,0]=4 3703 B13R1.572 CC(O)c1ccccc1OCCF 34a_200011232679_100011217306 [0,2,0,0,0,0|2,0,0]=4 3704 B13R1.572 CC(O)c1ccccc1OCCF 7a_200011232679_100011217306 [0,2,0,0,0,0|2,0,0]=4 3705 B13R1.572 CC(O)c1ccccc1OCCO 34a_200011232679_100000211926 [0,2,0,0,0,0|2,0,0]=4 3706 B13R1.572 CC(O)c1ccccc1OCCO 7a_200011232679_100000211926 [0,2,0,0,0,0|2,0,0]=4 3707 B13R1.572 CC(O)c1cccnc1SCCF 62a_100009865335_100011217306 [0,2,0,0,0,0|1,1,0]=4 3708 B13R1.572 CC(O)c1cccnc1SCCF 62a_100011217306_100009865335 [0,2,0,0,0,0|1,1,0]=4 3709 B13R1.572 CC(O)c1cccnc1SCCO 62a_100000211926_100009865335 [0,2,0,0,0,0|1,1,0]=4 3710 B13R1.572 CC(O)c1cccnc1SCCO 62a_100009865335_100000211926 [0,2,0,0,0,0|1,1,0]=4 3711 B13R1.572 CCCCc1cccnc1C(C)N 271570a_100020621405_100159271932 [0,2,0,0,0,0|2,0,0]=4 3712 B13R1.572 CCCCc1cccnc1[C@H](C)O 271570a_100020621405_100013325542 [0,2,0,0,0,0|2,0,0]=4 3713 B13R1.572 CCCCc1ncccc1C(C)C 271570a_100020621405_200010382935 [0,2,0,0,0,0|2,0,0]=4 3714 B13R1.572 CCCCc1ncccc1C(C)O 271570a_100020621405_100009865335 [0,2,0,0,0,0|2,0,0]=4 3715 B13R1.572 CCCCc1nccnc1C(=O)C 271570a_100020621405_100000099859 [0,2,0,0,0,0|1,0,1]=4 3716 B13R1.572 CCCCc1nccnc1N(C)C 271570a_100020621405_100000703087 [0,2,0,0,0,0|2,0,0]=4 3717 B13R1.572 CCCOc1ccccc1C(C)C 34a_100000211617_100000210303 [0,2,0,0,0,0|2,0,0]=4 3718 B13R1.572 CCCOc1ccccc1C(C)C 7a_100000211617_100000210303 [0,2,0,0,0,0|2,0,0]=4 3719 B13R1.572 CCCOc1ccccc1C(C)O 34a_200011232679_100000210303 [0,2,0,0,0,0|2,0,0]=4 3720 B13R1.572 CCCOc1ccccc1C(C)O 7a_200011232679_100000210303 [0,2,0,0,0,0|2,0,0]=4 3721 B13R1.572 CCCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210303 [0,2,0,0,0,0|2,0,0]=4 3722 B13R1.572 CCCOc1cccnc1C(=O)C 34a_100000087166_100000210303 [0,2,0,0,0,0|1,0,1]=4 3723 B13R1.572 CCCOc1cccnc1C(=O)C 7a_100000087166_100000210303 [0,2,0,0,0,0|1,0,1]=4 3724 B13R1.572 CCCOc1cccnc1C(C)C 34a_100012183336_100000210303 [0,2,0,0,0,0|1,0,0]=3 3725 B13R1.572 CCCOc1cccnc1C(C)C 7a_100012183336_100000210303 [0,2,0,0,0,0|1,0,0]=3 3726 B13R1.572 CCCOc1nccnc1C(=O)N 34a_100011830332_100000210303 [0,2,0,0,0,0|1,0,1]=4 3727 B13R1.572 CCCSc1cccnc1C(C)N 62a_100000210303_100159271932 [0,2,0,0,0,0|1,1,0]=4 3728 B13R1.572 CCCSc1cccnc1C(C)N 62a_100159271932_100000210303 [0,2,0,0,0,0|1,1,0]=4 3729 B13R1.572 CCCSc1cccnc1[C@H](C)O 62a_100000210303_100013325542 [0,2,0,0,0,0|1,1,0]=4 3730 B13R1.572 CCCSc1cccnc1[C@H](C)O 62a_100013325542_100000210303 [0,2,0,0,0,0|1,1,0]=4 3731 B13R1.572 CCCSc1ncccc1C(C)C 62a_100000210303_200010382935 [0,2,0,0,0,0|1,1,0]=4 3732 B13R1.572 CCCSc1ncccc1C(C)C 62a_200010382935_100000210303 [0,2,0,0,0,0|1,1,0]=4 3733 B13R1.572 CCCSc1ncccc1C(C)O 62a_100000210303_100009865335 [0,2,0,0,0,0|1,1,0]=4 3734 B13R1.572 CCCSc1ncccc1C(C)O 62a_100009865335_100000210303 [0,2,0,0,0,0|1,1,0]=4 3735 B13R1.572 CCCSc1nccnc1C(=O)C 62a_100000099859_100000210303 [0,2,0,0,0,0|0,1,1]=4 3736 B13R1.572 CCCSc1nccnc1C(=O)C 62a_100000210303_100000099859 [0,2,0,0,0,0|0,1,1]=4 3737 B13R1.572 CCCSc1nccnc1N(C)C 62a_100000210303_100000703087 [0,2,0,0,0,0|1,1,0]=4 3738 B13R1.572 CCNCc1ncccc1C(C)C 2230a_100015525214_200134614246 [0,2,0,0,0,0|2,0,0]=4 3739 B13R1.572 CCOCc1cccnc1C(F)F 34a_100010834607_100000210202 [0,2,0,0,0,0|2,0,0]=4 3740 B13R1.572 CCOCc1cccnc1C(F)F 7a_100010834607_100000210202 [0,2,0,0,0,0|2,0,0]=4 3741 B13R1.572 CCOCc1ncccc1C(C)C 34a_100121572206_200134614246 [0,2,0,0,0,0|1,0,0]=3 3742 B13R1.572 CCOCc1ncccc1C(C)C 34a_200009878718_100000210202 [0,2,0,0,0,0|1,0,0]=3 3743 B13R1.572 CCSCc1ncccc1C(C)C 62a_100000210202_200134614246 [0,2,0,0,0,0|1,1,0]=4 3744 B13R1.572 CCSCc1ncccc1C(C)C 62a_200134614246_100000210202 [0,2,0,0,0,0|1,1,0]=4 3745 B13R1.572 CN(C)c1ncccc1OCCF 27a_100102631434_100012814765 [0,2,0,0,0,0|2,0,0]=4 3746 B13R1.572 CN(C)c1nccnc1NCCO 27a_100000210304_100000703087 [0,2,0,0,0,0|2,0,0]=4 3747 B13R1.572 CN(C)c1nccnc1SCCF 62a_100011217306_100000703087 [0,2,0,0,0,0|1,1,0]=4 3748 B13R1.572 CN(C)c1nccnc1SCCO 62a_100000211926_100000703087 [0,2,0,0,0,0|1,1,0]=4 3749 B13R1.572 COCSc1cccnc1C(C)N 62a_100000766300_100159271932 [0,2,0,0,0,0|1,1,0]=4 3750 B13R1.572 COCSc1cccnc1C(C)N 62a_100159271932_100000766300 [0,2,0,0,0,0|1,1,0]=4 3751 B13R1.572 COCSc1cccnc1[C@H](C)O 62a_100000766300_100013325542 [0,2,0,0,0,0|1,1,0]=4 3752 B13R1.572 COCSc1cccnc1[C@H](C)O 62a_100013325542_100000766300 [0,2,0,0,0,0|1,1,0]=4 3753 B13R1.572 COCSc1ncccc1C(C)C 62a_100000766300_200010382935 [0,2,0,0,0,0|1,1,0]=4 3754 B13R1.572 COCSc1ncccc1C(C)C 62a_200010382935_100000766300 [0,2,0,0,0,0|1,1,0]=4 3755 B13R1.572 COCSc1ncccc1C(C)O 62a_100000766300_100009865335 [0,2,0,0,0,0|1,1,0]=4 3756 B13R1.572 COCSc1ncccc1C(C)O 62a_100009865335_100000766300 [0,2,0,0,0,0|1,1,0]=4 3757 B13R1.572 COCSc1nccnc1C(=O)C 62a_100000099859_100000766300 [0,2,0,0,0,0|0,1,1]=4 3758 B13R1.572 COCSc1nccnc1C(=O)C 62a_100000766300_100000099859 [0,2,0,0,0,0|0,1,1]=4 3759 B13R1.572 COCSc1nccnc1N(C)C 62a_100000766300_100000703087 [0,2,0,0,0,0|1,1,0]=4 3760 B13R1.572 CSCOc1ccccc1C(C)C 34a_100000211617_100011218213 [0,2,0,0,0,0|2,0,0]=4 3761 B13R1.572 CSCOc1ccccc1C(C)O 34a_200011232679_100011218213 [0,2,0,0,0,0|2,0,0]=4 3762 B13R1.572 CSCOc1ccccc1[C@@H](C)N 34a_100025703389_100011218213 [0,2,0,0,0,0|2,0,0]=4 3763 B13R1.572 CSCOc1cccnc1C(=O)C 34a_100000087166_100011218213 [0,2,0,0,0,0|1,0,1]=4 3764 B13R1.572 CSCOc1cccnc1C(C)C 34a_100012183336_100011218213 [0,2,0,0,0,0|1,0,0]=3 3765 B13R1.572 CSCOc1nccnc1C(=O)N 34a_100011830332_100011218213 [0,2,0,0,0,0|1,0,1]=4 3766 B13R1.572 CSCSc1cccnc1C(C)N 62a_100011218213_100159271932 [0,2,0,0,0,0|1,1,0]=4 3767 B13R1.572 CSCSc1cccnc1C(C)N 62a_100159271932_100011218213 [0,2,0,0,0,0|1,1,0]=4 3768 B13R1.572 CSCSc1cccnc1[C@H](C)O 62a_100011218213_100013325542 [0,2,0,0,0,0|1,1,0]=4 3769 B13R1.572 CSCSc1cccnc1[C@H](C)O 62a_100013325542_100011218213 [0,2,0,0,0,0|1,1,0]=4 3770 B13R1.572 CSCSc1ncccc1C(C)C 62a_100011218213_200010382935 [0,2,0,0,0,0|1,1,0]=4 3771 B13R1.572 CSCSc1ncccc1C(C)C 62a_200010382935_100011218213 [0,2,0,0,0,0|1,1,0]=4 3772 B13R1.572 CSCSc1ncccc1C(C)O 62a_100009865335_100011218213 [0,2,0,0,0,0|1,1,0]=4 3773 B13R1.572 CSCSc1ncccc1C(C)O 62a_100011218213_100009865335 [0,2,0,0,0,0|1,1,0]=4 3774 B13R1.572 CSCSc1nccnc1C(=O)C 62a_100000099859_100011218213 [0,2,0,0,0,0|0,1,1]=4 3775 B13R1.572 CSCSc1nccnc1C(=O)C 62a_100011218213_100000099859 [0,2,0,0,0,0|0,1,1]=4 3776 B13R1.572 CSCSc1nccnc1N(C)C 62a_100011218213_100000703087 [0,2,0,0,0,0|1,1,0]=4 3777 B13R1.572 C[C@@H](N)c1ccccc1OCCF 34a_100025703389_100011217306 [0,2,0,0,0,0|2,0,0]=4 3778 B13R1.572 C[C@@H](N)c1ccccc1OCCO 34a_100025703389_100000211926 [0,2,0,0,0,0|2,0,0]=4 3779 B13R1.572 C[C@H](O)c1ncccc1SCCF 62a_100011217306_100013325542 [0,2,0,0,0,0|1,1,0]=4 3780 B13R1.572 C[C@H](O)c1ncccc1SCCF 62a_100013325542_100011217306 [0,2,0,0,0,0|1,1,0]=4 3781 B13R1.572 C[C@H](O)c1ncccc1SCCO 62a_100000211926_100013325542 [0,2,0,0,0,0|1,1,0]=4 3782 B13R1.572 C[C@H](O)c1ncccc1SCCO 62a_100013325542_100000211926 [0,2,0,0,0,0|1,1,0]=4 3783 B13R1.572 NC(=O)c1nccnc1OCCF 34a_100011830332_100011217306 [0,2,0,0,0,0|1,0,1]=4 3784 B13R1.572 NC(=O)c1nccnc1OCCO 34a_100011830332_100000211926 [0,2,0,0,0,0|1,0,1]=4 3785 B13R1.1619 CCCOc1c(cccc1CC)Br 34a_200010001580_100000210303 [0,2,0,0,0,0|2,0,0]=4 3786 B13R1.1619 CCCOc1c(cccc1CC)Br 7a_200010001580_100000210303 [0,2,0,0,0,0|2,0,0]=4 3787 B13R1.1619 CCCOc1c(cccc1CC)C 34a_100000034007_100000210303 [0,2,0,0,0,0|2,0,0]=4 3788 B13R1.1619 CCCOc1c(cccc1CC)C 7a_100000034007_100000210303 [0,2,0,0,0,0|2,0,0]=4 3789 B13R1.1619 CCCOc1c(occc1=O)CC 34a_100000033269_100000210303 [0,2,0,0,0,0|2,0,0]=4 3790 B13R1.1619 CCc1cccc(c1OCCF)Br 34a_200010001580_100011217306 [0,2,0,0,0,0|2,0,0]=4 3791 B13R1.1619 CCc1cccc(c1OCCF)Br 7a_200010001580_100011217306 [0,2,0,0,0,0|2,0,0]=4 3792 B13R1.1619 CCc1cccc(c1OCCF)C 34a_100000034007_100011217306 [0,2,0,0,0,0|2,0,0]=4 3793 B13R1.1619 CCc1cccc(c1OCCF)C 7a_100000034007_100011217306 [0,2,0,0,0,0|2,0,0]=4 3794 B13R1.1619 CCc1cccc(c1OCCO)Br 34a_200010001580_100000211926 [0,2,0,0,0,0|2,0,0]=4 3795 B13R1.1619 CCc1cccc(c1OCCO)Br 7a_200010001580_100000211926 [0,2,0,0,0,0|2,0,0]=4 3796 B13R1.1619 CCc1cccc(c1OCCO)C 34a_100000034007_100000211926 [0,2,0,0,0,0|2,0,0]=4 3797 B13R1.1619 CCc1cccc(c1OCCO)C 7a_100000034007_100000211926 [0,2,0,0,0,0|2,0,0]=4 3798 B13R1.1619 CCc1cccc(c1OCSC)Br 34a_200010001580_100011218213 [0,2,0,0,0,0|2,0,0]=4 3799 B13R1.1619 CCc1cccc(c1OCSC)C 34a_100000034007_100011218213 [0,2,0,0,0,0|2,0,0]=4 3800 B13R1.1619 CCc1occc(=O)c1OCCF 34a_100000033269_100011217306 [0,2,0,0,0,0|2,0,0]=4 3801 B13R1.1619 CCc1occc(=O)c1OCCO 34a_100000033269_100000211926 [0,2,0,0,0,0|2,0,0]=4 3802 B13R1.1619 CCc1occc(=O)c1OCSC 34a_100000033269_100011218213 [0,2,0,0,0,0|2,0,0]=4 3803 B13R1.3516 CCOCc1nccc(c1OC)Cl 34a_100009869429_100000210202 [0,2,0,0,0,0|2,0,0]=4 3804 B13R1.3516 CCOCc1nccc(c1OC)Cl 34a_100121572206_100015371371 [0,2,0,0,0,0|2,0,0]=4 3805 B13R1.3910 CCNc1c(cccc1OCC)Br 34a_200103155331_100000210202 [0,2,0,0,0,0|2,0,0]=4 3806 B13R1.3910 CCNc1c(cccc1OCC)Cl 34a_100012284057_100000210202 [0,2,0,0,0,0|2,0,0]=4 3807 B13R1.3910 CCNc1cccc(c1OCC)Cl 2230a_100000744310_100000210202 [0,2,0,0,0,0|2,0,0]=4 3808 B13R1.3910 CCNc1cccc(c1OCC)Cl 34a_100000744310_100000210202 [0,2,0,0,0,0|2,0,0]=4 3809 B13R1.3910 CCOc1c(cccc1SCC)F 62a_100000210202_100010232518 [0,2,0,0,0,0|2,0,0]=4 3810 B13R1.3910 CCOc1c(cccc1SCC)F 62a_100010232518_100000210202 [0,2,0,0,0,0|2,0,0]=4 3811 B13R1.3910 CCOc1cccc(c1CNC)F 207a_100102657272_200013041550 [0,2,0,0,0,0|2,0,0]=4 3812 B13R1.3910 CCOc1cccc(c1CNC)F 270004a_106832991635_200013041550 [0,2,0,0,0,0|2,0,0]=4 3813 B13R1.3910 CCOc1cccc(c1CNC)F 34a_200011324351_200000210301 [0,2,0,0,0,0|2,0,0]=4 3814 B13R1.3910 CCOc1cccc(c1CN[13CH3])F 34a_200011324351_200025704644 [0,2,0,0,0,0|2,0,0]=4 3815 B13R1.356 CC=Cc1nc(cnc1C(C)C)C 271570a_100016259895_100015629263 [0,2,0,0,0,0|1,0,1]=4 3816 B13R1.356 CCNc1nc(cnc1C(C)C)C 27a_100015525214_100015629263 [0,2,0,0,0,0|1,0,0]=3 3817 B13R1.356 CCOc1cc(ccc1C(C)C)C 34a_100000185798_100000210202 [0,2,0,0,0,0|2,0,0]=4 3818 B13R1.356 CCOc1cc(ccc1C(C)C)C 7a_100000185798_100000210202 [0,2,0,0,0,0|2,0,0]=4 3819 B13R1.356 CCSc1nc(cnc1C(C)C)C 62a_100000210202_100015629263 [0,2,0,0,0,0|0,1,0]=3 3820 B13R1.356 CCSc1nc(cnc1C(C)C)C 62a_100015629263_100000210202 [0,2,0,0,0,0|0,1,0]=3 3821 B13R1.356 Cc1cnc(c(n1)SCF)C(C)C 62a_100015361967_100015629263 [0,2,0,0,0,0|1,1,0]=4 3822 B13R1.356 Cc1cnc(c(n1)SCF)C(C)C 62a_100015629263_100015361967 [0,2,0,0,0,0|1,1,0]=4 3823 B13R1.3980 CCOc1nc(cc(c1CN)C)C 34a_100000209871_100000210202 [0,2,0,0,0,0|2,0,0]=4 3824 B13R1.381 CCNc1nccnc1C(F)(F)F 27a_100015525214_100010291561 [0,2,0,0,0,0|2,0,0]=4 3825 B13R1.381 CCOc1ccccc1C(C)(C)C 34a_100000211619_100000210202 [0,2,0,0,0,0|2,0,0]=4 3826 B13R1.381 CCOc1ccccc1C(C)(C)C 7a_100000211619_100000210202 [0,2,0,0,0,0|2,0,0]=4 3827 B13R1.381 CCOc1cccnc1C(F)(F)F 34a_100009873705_100000210202 [0,2,0,0,0,0|2,0,0]=4 3828 B13R1.381 CCOc1cccnc1C(F)(F)F 7a_100009873705_100000210202 [0,2,0,0,0,0|2,0,0]=4 3829 B13R1.381 CCOc1nccnc1C(F)(F)F 34a_200009888604_100000210202 [0,2,0,0,0,0|1,0,0]=3 3830 B13R1.381 CCSc1cccnc1C(C)(C)O 62a_100000210202_200010080787 [0,2,0,0,0,0|1,1,0]=4 3831 B13R1.381 CCSc1cccnc1C(C)(C)O 62a_200010080787_100000210202 [0,2,0,0,0,0|1,1,0]=4 3832 B13R1.381 CCSc1ncccc1C(C)(C)O 62a_100000210202_100010080783 [0,2,0,0,0,0|1,1,0]=4 3833 B13R1.381 CCSc1ncccc1C(C)(C)O 62a_100010080783_100000210202 [0,2,0,0,0,0|1,1,0]=4 3834 B13R1.381 CCSc1nccnc1C(F)(F)F 62a_100000210202_100010291561 [0,2,0,0,0,0|1,1,0]=4 3835 B13R1.381 CCSc1nccnc1C(F)(F)F 62a_100010291561_100000210202 [0,2,0,0,0,0|1,1,0]=4 3836 B13R1.381 FCOc1nccnc1C(F)(F)F 34a_200009888604_100015361967 [0,2,0,0,0,0|2,0,0]=4 3837 B13R1.3904 CCOc1c(cccc1CC)CC 34a_100000078057_100000210202 [0,2,0,0,0,0|2,0,0]=4 3838 B13R1.3904 CCOc1c(cccc1CC)CC 7a_100000078057_100000210202 [0,2,0,0,0,0|2,0,0]=4 3839 B11R1.180 CCOC=Cc1cncn1C 271570a_100016256518_100009814087 [0,0,1,1,0,0|2,0,0]=4 3840 B11R1.192 CCOc1cc(c(cn1)Br)C 34a_100000766222_100000210202 [0,0,1,1,0,0|1,0,1]=4 3841 B11R1.192 CCOc1cc(c(cn1)Cl)C 34a_200000085746_100000210202 [0,0,1,1,0,0|1,0,1]=4 3842 B11R1.192 CCOc1cc(c(cn1)O)C 271570a_203496583355_200012351029 [0,0,1,1,0,0|1,0,1]=4 3843 B11R2.55 Cc1cccnc1C2CC2 271570a_100011220607_100000751373 [1,0,0,1,0,0|2,0,0]=4 3844 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [1,0,0,1,0,0|2,0,0]=4 3845 B11R2.55 Cc1nccnc1C2CC2 271570a_100011220607_100011999405 [1,0,0,1,0,0|1,0,0]=3 3846 B11R2.55 Fc1nccnc1C2CC2 271570a_100011220607_200010125657 [1,0,0,1,0,0|2,0,0]=4 3847 B11R2.55 Nc1nccnc1C2CC2 271570a_100011220607_100000747729 [1,0,0,1,0,0|2,0,0]=4 3848 B11R2.216 CCc1ccsc1C2CC2 271570a_100011220607_200009875468 [0,0,0,1,1,0|2,0,0]=4 3849 B11R2.216 CCn1ccnc1C2CC2 271570a_100011220607_100011617267 [0,0,0,1,1,0|2,0,0]=4 3850 B11R2.216 CCn1nccc1C2CC2 271570a_100011220607_100000728327 [0,0,0,1,1,0|2,0,0]=4 3851 B11R2.216 CCn1ncnc1C2CC2 271570a_100011220607_100009879425 [0,0,0,1,1,0|2,0,0]=4 3852 B13R2.163 CN1CCOc2ccccc2C1 2230a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 3853 B13R2.163 CN1CCOc2ccccc2C1 269982a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 3854 B13R2.163 CN1CCOc2ccccc2C1 34a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 3855 B13R2.163 [13CH3]N1CCOc2ccccc2C1 2230a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 3856 B13R2.163 [13CH3]N1CCOc2ccccc2C1 269982a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 3857 B13R2.163 [13CH3]N1CCOc2ccccc2C1 34a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 3858 B13R2.621 BrCc1ncccc1OC2CC2 34a_200020655725_100000211595 [0,1,0,1,0,0|2,0,0]=4 3859 B13R2.621 CCc1ccccc1OC2CC2 34a_100000210936_100000211595 [0,1,0,1,0,0|2,0,0]=4 3860 B13R2.621 CCc1ncccc1SC2CC2 62a_100009877225_100000211595 [0,1,0,1,0,0|1,1,0]=4 3861 B13R2.621 CCc1nccnc1NC2CC2 27a_100000212008_100011995844 [0,1,0,1,0,0|1,0,0]=3 3862 B13R2.621 CCc1nccnc1SC2CC2 62a_100011995844_100000211595 [0,1,0,1,0,0|0,1,0]=3 3863 B13R2.621 COc1cccnc1OC2CC2 34a_100025773188_100000211595 [0,1,0,1,0,0|2,0,0]=4 3864 B13R2.621 COc1ncccc1OC2CC2 34a_100000698397_100000211595 [0,1,0,1,0,0|2,0,0]=4 3865 B13R2.621 COc1nccnc1NC2CC2 27a_100000212008_100009858322 [0,1,0,1,0,0|2,0,0]=4 3866 B13R2.621 COc1nccnc1SC2CC2 62a_100009858322_100000211595 [0,1,0,1,0,0|1,1,0]=4 3867 B13R2.621 NCc1nccnc1SC2CC2 62a_100000729963_100000211595 [0,1,0,1,0,0|1,1,0]=4 3868 B13R2.621 OCc1ncccc1OC2CC2 34a_100000731849_100000211595 [0,1,0,1,0,0|2,0,0]=4 3869 B13R2.621 OCc1nccnc1SC2CC2 62a_100000057004_100000211595 [0,1,0,1,0,0|1,1,0]=4 3870 B13R2.1613 CNC1CCCc2c1cccn2 269862a_106832991636_100000058033 [0,1,0,1,0,0|2,0,0]=4 3871 B13R2.1613 CNC1CCCc2c1nccc2 2230a_100011259139_200000210301 [0,1,0,1,0,0|2,0,0]=4 3872 B13R2.1613 CNC1CCCc2c1nccc2 269862a_106832991636_100000067617 [0,1,0,1,0,0|2,0,0]=4 3873 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,1,0,1,0,0|2,0,0]=4 3874 B13R2.1613 CNC1CCOc2c1nccc2 2230a_100009852857_200000210301 [0,1,0,1,0,0|1,0,0]=3 3875 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,1,0,1,0,0|2,0,0]=4 3876 B13R2.1613 [13CH3]NC1CCCc2c1nccc2 2230a_100011259139_200025704644 [0,1,0,1,0,0|2,0,0]=4 3877 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,1,0,1,0,0|2,0,0]=4 3878 B13R2.1613 [13CH3]NC1CCOc2c1nccc2 2230a_100009852857_200025704644 [0,1,0,1,0,0|1,0,0]=3 3879 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,1,0,1,0,0|2,0,0]=4 3880 B13R2.2528 CCc1nccnc1N2CCC2 27a_100000754969_100011995844 [0,1,0,1,0,0|1,0,0]=3 3881 B13R2.2528 COc1nccnc1N2CCC2 27a_100000754969_100009858322 [0,1,0,1,0,0|2,0,0]=4 3882 B13R2.2082 COc1nc(cnc1C2CC2)Br 271570a_100011220607_100010214903 [0,1,0,1,0,0|2,0,0]=4 3883 B13R2.2082 COc1nc(cnc1C2CC2)N 271570a_100011220607_100010128448 [0,1,0,1,0,0|2,0,0]=4 3884 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,1,0,1,0,0|2,0,0]=4 3885 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,1,0,1,0,0|2,0,0]=4 3886 B13R2.57 CCN1CCc2cccnc2C1 2230a_100015206102_100000210202 [0,1,0,1,0,0|2,0,0]=4 3887 B13R2.57 CCN1CCc2cccnc2C1 269982a_100015206102_100000204670 [0,1,0,1,0,0|2,0,0]=4 3888 B13R2.57 CCN1CCc2ncccc2C1 2230a_100000699647_100000210202 [0,1,0,1,0,0|2,0,0]=4 3889 B13R2.57 CCN1CCc2ncccc2C1 269982a_100000699647_100000204670 [0,1,0,1,0,0|2,0,0]=4 3890 B13R2.268 CCOc1ccccc1C2CC2 271570a_100011220607_100000230754 [0,1,0,1,0,0|2,0,0]=4 3891 B13R2.268 CCOc1cccnc1C2CC2 271570a_100011220607_100011597540 [0,1,0,1,0,0|1,0,0]=3 3892 B13R2.268 CCOc1ncccc1C2CC2 271570a_100011220607_100011465154 [0,1,0,1,0,0|1,0,0]=3 3893 B13R2.268 CCOc1nccnc1C2CC2 271570a_100011220607_200010128176 [0,1,0,1,0,0|0,0,0]=2 3894 B13R2.268 CCSc1ncccc1C2CC2 62a_100000210202_100009851976 [0,1,0,1,0,0|1,1,0]=4 3895 B13R2.268 CCSc1ncccc1C2CC2 62a_200009850273_100000210202 [0,1,0,1,0,0|1,1,0]=4 3896 B13R2.268 CNCc1cccnc1C2CC2 271570a_100011220607_103496529121 [0,1,0,1,0,0|2,0,0]=4 3897 B13R2.292 CCNc1cccc2c1OCC2 2230a_100000102157_100000210202 [0,1,0,1,0,0|2,0,0]=4 3898 B13R2.292 CCNc1cccc2c1OCC2 34a_100000102157_100000210202 [0,1,0,1,0,0|2,0,0]=4 3899 B13R2.292 CCOc1cccc2c1CCC2 34a_100000074356_100000210202 [0,1,0,1,0,0|2,0,0]=4 3900 B13R2.292 CCOc1cccc2c1CCC2 7a_100000074356_100000210202 [0,1,0,1,0,0|2,0,0]=4 3901 B13R2.292 CCOc1cccc2c1CCN2 34a_100000703684_100000210202 [0,1,0,1,0,0|2,0,0]=4 3902 B13R2.292 CCOc1cccc2c1CCO2 34a_100000090053_100000210202 [0,1,0,1,0,0|2,0,0]=4 3903 B13R2.292 CCOc1cccc2c1CCO2 7a_100000090053_100000210202 [0,1,0,1,0,0|2,0,0]=4 3904 B13R2.292 CCOc1cccc2c1CNC2 34a_100015191671_100000210202 [0,1,0,1,0,0|2,0,0]=4 3905 B13R2.292 CCSc1cccc2c1OCC2 62a_100000210202_100009818991 [0,1,0,1,0,0|2,0,0]=4 3906 B13R2.292 CCSc1cccc2c1OCC2 62a_100009818991_100000210202 [0,1,0,1,0,0|2,0,0]=4 3907 B13R2.292 CCSc1nccc2c1CCN2 62a_100000104060_100000210202 [0,1,0,1,0,0|1,1,0]=4 3908 B13R2.292 CCSc1nccc2c1CCN2 62a_100000210202_100000104060 [0,1,0,1,0,0|1,1,0]=4 3909 B13R2.292 CNCc1cccc2c1OCC2 207a_100102657272_100011934426 [0,1,0,1,0,0|2,0,0]=4 3910 B13R2.292 CNCc1cccc2c1OCC2 2230a_200000703977_200000210301 [0,1,0,1,0,0|2,0,0]=4 3911 B13R2.292 CNCc1cccc2c1OCC2 270004a_106832991635_100011934426 [0,1,0,1,0,0|2,0,0]=4 3912 B13R2.292 CNCc1cccc2c1OCC2 34a_200000703977_200000210301 [0,1,0,1,0,0|2,0,0]=4 3913 B13R2.292 COCc1cccc2c1OCC2 34a_100011934603_200000210301 [0,1,0,1,0,0|2,0,0]=4 3914 B13R2.292 COCc1cccc2c1OCC2 7a_100011934603_200000210301 [0,1,0,1,0,0|2,0,0]=4 3915 B13R2.292 [13CH3]NCc1cccc2c1OCC2 2230a_200000703977_200025704644 [0,1,0,1,0,0|2,0,0]=4 3916 B13R2.292 [13CH3]NCc1cccc2c1OCC2 34a_200000703977_200025704644 [0,1,0,1,0,0|2,0,0]=4 3917 B13R2.292 [13CH3]OCc1cccc2c1OCC2 34a_100011934603_200025704644 [0,1,0,1,0,0|2,0,0]=4 3918 B13R2.292 [13CH3]OCc1cccc2c1OCC2 7a_100011934603_200025704644 [0,1,0,1,0,0|2,0,0]=4 3919 B13R2.66 CCc1ncc(cc1C2CC2)N 271570a_100011220607_100013085292 [0,1,0,1,0,0|2,0,0]=4 3920 B13R2.5179 CN1CCOc2c1ncc(c2)O 271570a_203496583355_100009816925 [0,1,0,1,0,0|2,0,0]=4 3921 B13R2.5514 CC(=O)c1nccnc1C2CC2 271570a_100011220607_100000099859 [0,1,0,1,0,0|1,0,1]=4 3922 B13R2.5514 CC(C)c1cccnc1C2CC2 271570a_100011220607_200010382935 [0,1,0,1,0,0|2,0,0]=4 3923 B13R2.5514 CC(N)c1ncccc1C2CC2 271570a_100011220607_100159271932 [0,1,0,1,0,0|2,0,0]=4 3924 B13R2.5514 CC(O)c1cccnc1C2CC2 271570a_100011220607_100009865335 [0,1,0,1,0,0|2,0,0]=4 3925 B13R2.5514 CN(C)c1nccnc1C2CC2 271570a_100011220607_100000703087 [0,1,0,1,0,0|2,0,0]=4 3926 B13R2.5514 C[C@H](O)c1ncccc1C2CC2 271570a_100011220607_100013325542 [0,1,0,1,0,0|2,0,0]=4 3927 B9R1.33 CCNc1ncnn1C 27a_100015525214_100000732653 [1,0,0,0,1,0|2,0,0]=4 3928 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [1,0,0,0,1,0|1,0,0]=3 3929 B9R1.33 CCSc1c[nH]nc1C 62a_100000210202_100000692133 [1,0,0,0,1,0|1,1,0]=4 3930 B9R1.33 CCSc1c[nH]nc1C 62a_100000692133_100000210202 [1,0,0,0,1,0|1,1,0]=4 3931 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [1,0,0,0,1,0|1,1,0]=4 3932 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [1,0,0,0,1,0|1,1,0]=4 3933 B9R1.33 CCSc1ccsc1C 62a_100000210202_100000684487 [1,0,0,0,1,0|1,1,0]=4 3934 B9R1.33 CCSc1ccsc1C 62a_100000684487_100000210202 [1,0,0,0,1,0|1,1,0]=4 3935 B9R1.33 CCSc1n[nH]cc1C 62a_100000210202_100009871783 [1,0,0,0,1,0|1,1,0]=4 3936 B9R1.33 CCSc1n[nH]cc1C 62a_100009871783_100000210202 [1,0,0,0,1,0|1,1,0]=4 3937 B9R1.33 CCSc1nc[nH]c1C 62a_100000210202_100010186451 [1,0,0,0,1,0|0,1,1]=4 3938 B9R1.33 CCSc1nc[nH]c1C 62a_100010186451_100000210202 [1,0,0,0,1,0|0,1,1]=4 3939 B9R1.33 CCSc1nccn1C 62a_100000210202_100000707724 [1,0,0,0,1,0|1,1,0]=4 3940 B9R1.33 CCSc1nccn1C 62a_100000707724_100000210202 [1,0,0,0,1,0|1,1,0]=4 3941 B9R1.33 CCSc1ncnn1C 62a_100000210202_100000732653 [1,0,0,0,1,0|1,1,0]=4 3942 B9R1.33 CCSc1ncnn1C 62a_100000732653_100000210202 [1,0,0,0,1,0|1,1,0]=4 3943 B9R1.33 CCSc1ncsc1C 62a_100000210202_100000732656 [1,0,0,0,1,0|1,1,0]=4 3944 B9R1.33 CCSc1ncsc1C 62a_100000732656_100000210202 [1,0,0,0,1,0|1,1,0]=4 3945 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [1,0,0,0,1,0|1,1,0]=4 3946 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [1,0,0,0,1,0|1,1,0]=4 3947 B9R1.33 CCSc1scnc1C 62a_100000210202_100009817116 [1,0,0,0,1,0|1,1,0]=4 3948 B9R1.33 CCSc1scnc1C 62a_100009817116_100000210202 [1,0,0,0,1,0|1,1,0]=4 3949 B9R1.33 Cn1nccc1OCF 34a_100020632926_100015361967 [1,0,0,0,1,0|2,0,0]=4 3950 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [1,0,0,0,1,0|1,1,0]=4 3951 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [1,0,0,0,1,0|1,1,0]=4 3952 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [1,0,0,0,1,0|1,1,0]=4 3953 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [1,0,0,0,1,0|1,1,0]=4 3954 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [1,0,0,0,1,0|1,1,0]=4 3955 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [1,0,0,0,1,0|1,1,0]=4 3956 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [1,0,0,0,1,0|1,1,0]=4 3957 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [1,0,0,0,1,0|1,1,0]=4 3958 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [1,0,0,0,1,0|1,0,0]=3 3959 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [1,0,0,0,1,0|1,0,0]=3 3960 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [1,0,0,0,1,0|1,1,0]=4 3961 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [1,0,0,0,1,0|1,1,0]=4 3962 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [1,0,0,0,1,0|1,1,0]=4 3963 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [1,0,0,0,1,0|1,1,0]=4 3964 B9R1.14 CCn1ncnc1NC 27a_100102657272_100009879425 [1,0,0,0,1,0|2,0,0]=4 3965 B9R1.14 CCn1ncnc1SC 62a_100009879425_200000210301 [1,0,0,0,1,0|1,1,0]=4 3966 B9R1.14 CCn1ncnc1SC 62a_200000210301_100009879425 [1,0,0,0,1,0|1,1,0]=4 3967 B9R1.14 CCn1ncnc1S[13CH3] 62a_100009879425_200025704644 [1,0,0,0,1,0|1,1,0]=4 3968 B9R1.14 CCn1ncnc1S[13CH3] 62a_200025704644_100009879425 [1,0,0,0,1,0|1,1,0]=4 3969 B9R1.14 COc1n[nH]cc1SC 62a_200000210301_100010982843 [1,0,0,0,1,0|2,0,0]=4 3970 B9R1.14 COc1n[nH]cc1S[13CH3] 62a_200025704644_100010982843 [1,0,0,0,1,0|2,0,0]=4