0 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,0,0,0,0,0|1,1,2]=4 5 B11R1.53 C=C(C)c1cncnc1OC 271570a_100000694244_100000719902 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.53 C=C(C)c1nccnc1C#N 271570a_100000694244_100000040484 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.53 C=C(C)c1nccnc1NN 271570a_100000694244_100000755098 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,0,0,0,0,0|0,0,2]=2 15 B11R1.53 C=C(C)c1ncncc1OC 271570a_100000694244_100012001275 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.53 C=Cc1cccnc1C(C)N 271570a_100011290941_100159271932 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.53 C=Cc1cccnc1N(C)C 271570a_100011290941_100011465059 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.53 C=Cc1cccnc1[C@H](C)O 271570a_100011290941_100013325542 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.53 C=Cc1cncnc1C(C)C 271570a_100011290941_100009816988 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.53 C=Cc1ncccc1C(C)C 271570a_100011290941_200010382935 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.53 C=Cc1ncccc1C(C)O 271570a_100011290941_100009865335 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.53 C=Cc1nccnc1C(=O)C 271570a_100011290941_100000099859 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.53 C=Cc1nccnc1N(C)C 271570a_100011290941_100000703087 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,0,0,0,0,0|2,1,1]=4 26 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,0,0,0,0,0|2,1,1]=4 27 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,0,0,0,0,0|2,1,1]=4 30 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,0,0,0,0,0|2,1,1]=4 31 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,0,0,0,0,0|1,1,1]=3 32 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,0,0,0,0,0|1,1,1]=3 33 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [0,0,0,0,0,0|2,1,0]=3 39 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [0,0,0,0,0,0|2,1,0]=3 40 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [0,0,0,0,0,0|1,1,0]=2 41 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [0,0,0,0,0,0|1,1,0]=2 42 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [0,0,0,0,0,0|1,0,0]=1 43 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [0,0,0,0,0,0|1,0,0]=1 44 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_100009816988_200025704644 [0,0,0,0,0,0|2,1,0]=3 45 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_200025704644_100009816988 [0,0,0,0,0,0|2,1,0]=3 46 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [0,0,0,0,0,0|3,1,0]=4 47 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [0,0,0,0,0,0|3,1,0]=4 48 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [0,0,0,0,0,0|2,1,0]=3 49 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [0,0,0,0,0,0|2,1,0]=3 50 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [0,0,0,0,0,0|3,1,0]=4 54 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [0,0,0,0,0,0|3,1,0]=4 55 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [0,0,0,0,0,0|2,1,0]=3 56 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [0,0,0,0,0,0|2,1,0]=3 57 B11R1.53 CCc1cncnc1N(C)C 27a_100102631434_200000100055 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.53 CCc1nccnc1N(C)C 27a_100102631434_100011995844 [0,0,0,0,0,0|2,0,0]=2 59 B11R1.53 CCc1ncncc1N(C)C 27a_100102631434_100009816992 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [0,0,0,0,0,0|3,1,0]=4 61 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [0,0,0,0,0,0|3,1,0]=4 62 B11R1.53 CN(C)c1ncccc1C#N 27a_100102631434_100000211984 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [0,0,0,0,0,0|2,1,0]=3 64 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [0,0,0,0,0,0|2,1,0]=3 65 B11R1.53 CN(C)c1nccnc1C#N 27a_100102631434_100000040484 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.53 CN(C)c1nccnc1S[13CH3] 62a_200025704644_100000703087 [0,0,0,0,0,0|1,1,0]=2 67 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.53 CNc1cncnc1C(C)C 27a_100102657272_100009816988 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,0,0,0,0,0|2,0,1]=3 74 B11R1.53 CNc1nccnc1C(=O)N 27a_100102657272_100000094861 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.53 CNc1nccnc1N(C)C 27a_100102657272_100000703087 [0,0,0,0,0,0|2,0,0]=2 76 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [0,0,0,0,0,0|2,0,0]=2 79 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [0,0,0,0,0,0|2,0,0]=2 80 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,0,0,0,0,0|3,0,0]=3 82 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,0,0,0,0,0|2,0,1]=3 90 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,0,0,0,0,0|2,0,1]=3 91 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,0,0,0,0,0|3,0,1]=4 92 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,0,0,0,0,0|3,0,1]=4 93 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [0,0,0,0,0,0|1,0,0]=1 94 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [0,0,0,0,0,0|1,0,0]=1 95 B11R1.53 COc1cccnc1[N+](=O)[O-] 7a_100000183951_200000210301 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.53 COc1cncnc1N(C)C 27a_100102631434_100012001275 [0,0,0,0,0,0|3,0,0]=3 97 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [0,0,0,0,0,0|2,0,1]=3 98 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [0,0,0,0,0,0|1,0,0]=1 99 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [0,0,0,0,0,0|2,1,0]=3 100 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [0,0,0,0,0,0|2,1,0]=3 101 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [0,0,0,0,0,0|3,1,0]=4 102 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [0,0,0,0,0,0|3,1,0]=4 103 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [0,0,0,0,0,0|3,1,0]=4 104 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [0,0,0,0,0,0|3,1,0]=4 105 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [0,0,0,0,0,0|3,1,0]=4 106 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [0,0,0,0,0,0|3,1,0]=4 107 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,0,0,0,0,0|2,1,1]=4 108 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,0,0,0,0,0|2,1,1]=4 109 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [0,0,0,0,0,0|2,1,0]=3 110 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [0,0,0,0,0,0|2,1,0]=3 111 B11R1.53 CSc1cccnc1C(F)F 62a_100010079810_200000210301 [0,0,0,0,0,0|3,1,0]=4 112 B11R1.53 CSc1cccnc1C(F)F 62a_200000210301_100010079810 [0,0,0,0,0,0|3,1,0]=4 113 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [0,0,0,0,0,0|2,1,0]=3 114 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [0,0,0,0,0,0|2,1,0]=3 115 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [0,0,0,0,0,0|2,1,0]=3 116 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [0,0,0,0,0,0|2,1,0]=3 117 B11R1.53 CSc1cncnc1C(C)C 62a_100009816988_200000210301 [0,0,0,0,0,0|2,1,0]=3 118 B11R1.53 CSc1cncnc1C(C)C 62a_200000210301_100009816988 [0,0,0,0,0,0|2,1,0]=3 119 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,0,0,0,0,0|2,1,1]=4 120 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,0,0,0,0,0|2,1,1]=4 121 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [0,0,0,0,0,0|1,1,0]=2 122 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [0,0,0,0,0,0|1,1,0]=2 123 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [0,0,0,0,0,0|2,1,0]=3 124 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [0,0,0,0,0,0|2,1,0]=3 125 B11R1.53 CSc1ncccc1C(F)F 62a_100010136063_200000210301 [0,0,0,0,0,0|3,1,0]=4 126 B11R1.53 CSc1ncccc1C(F)F 62a_200000210301_100010136063 [0,0,0,0,0,0|3,1,0]=4 127 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,0,0,0,0,0|1,1,1]=3 128 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,0,0,0,0,0|1,1,1]=3 129 B11R1.53 CSc1nccnc1C(=O)N 62a_100000094861_200000210301 [0,0,0,0,0,0|2,1,1]=4 130 B11R1.53 CSc1nccnc1C(=O)N 62a_200000210301_100000094861 [0,0,0,0,0,0|2,1,1]=4 131 B11R1.53 CSc1nccnc1N(C)C 62a_200000210301_100000703087 [0,0,0,0,0,0|1,1,0]=2 132 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [0,0,0,0,0,0|2,1,0]=3 134 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [0,0,0,0,0,0|2,1,0]=3 135 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,0,0,0,0,0|3,0,1]=4 136 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.53 [13CH3]Oc1cccnc1[N+](=O)[O-] 7a_100000183951_200025704644 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [0,0,0,0,0,0|2,0,1]=3 139 B11R1.53 [13CH3]Sc1cccnc1C(F)F 62a_100010079810_200025704644 [0,0,0,0,0,0|3,1,0]=4 140 B11R1.53 [13CH3]Sc1cccnc1C(F)F 62a_200025704644_100010079810 [0,0,0,0,0,0|3,1,0]=4 141 B11R1.53 [13CH3]Sc1ncccc1C(F)F 62a_100010136063_200025704644 [0,0,0,0,0,0|3,1,0]=4 142 B11R1.53 [13CH3]Sc1ncccc1C(F)F 62a_200025704644_100010136063 [0,0,0,0,0,0|3,1,0]=4 143 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_100000094861_200025704644 [0,0,0,0,0,0|2,1,1]=4 144 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_200025704644_100000094861 [0,0,0,0,0,0|2,1,1]=4 145 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [1,0,0,0,0,0|2,0,1]=4 146 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [1,0,0,0,0,0|1,0,2]=4 147 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [1,0,0,0,0,0|1,0,2]=4 148 B10R1.20 C=Cc1nccnc1CC 271570a_100011290941_100011995844 [1,0,0,0,0,0|1,0,1]=3 149 B10R1.20 C=Cc1nccnc1CN 271570a_100011290941_100000729963 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.20 C=Cc1nccnc1CO 271570a_100011290941_100000057004 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.20 C=Cc1nccnc1NC 271570a_100011290941_100011529439 [1,0,0,0,0,0|1,0,2]=4 152 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [1,0,0,0,0,0|0,0,2]=3 153 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [1,0,0,0,0,0|2,0,0]=3 160 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [1,0,0,0,0,0|2,1,0]=4 164 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [1,0,0,0,0,0|2,1,0]=4 165 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [1,0,0,0,0,0|2,1,0]=4 166 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [1,0,0,0,0,0|2,1,0]=4 167 B10R1.20 CCc1cncnc1NC 27a_100102657272_200000100055 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.20 CCc1cncnc1SC 62a_200000100055_200000210301 [1,0,0,0,0,0|2,1,0]=4 169 B10R1.20 CCc1cncnc1SC 62a_200000210301_200000100055 [1,0,0,0,0,0|2,1,0]=4 170 B10R1.20 CCc1cncnc1S[13CH3] 62a_200000100055_200025704644 [1,0,0,0,0,0|2,1,0]=4 171 B10R1.20 CCc1cncnc1S[13CH3] 62a_200025704644_200000100055 [1,0,0,0,0,0|2,1,0]=4 172 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [1,0,0,0,0,0|1,1,0]=3 173 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [1,0,0,0,0,0|1,1,0]=3 174 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [1,0,0,0,0,0|1,1,0]=3 175 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [1,0,0,0,0,0|1,1,0]=3 176 B10R1.20 CCc1nccnc1NC 27a_100102657272_100011995844 [1,0,0,0,0,0|1,0,0]=2 177 B10R1.20 CCc1nccnc1SC 62a_100011995844_200000210301 [1,0,0,0,0,0|0,1,0]=2 178 B10R1.20 CCc1nccnc1SC 62a_200000210301_100011995844 [1,0,0,0,0,0|0,1,0]=2 179 B10R1.20 CCc1nccnc1S[13CH3] 62a_100011995844_200025704644 [1,0,0,0,0,0|0,1,0]=2 180 B10R1.20 CCc1nccnc1S[13CH3] 62a_200025704644_100011995844 [1,0,0,0,0,0|0,1,0]=2 181 B10R1.20 CCc1ncncc1NC 27a_100102657272_100009816992 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.20 CCc1ncncc1SC 62a_100009816992_200000210301 [1,0,0,0,0,0|2,1,0]=4 183 B10R1.20 CCc1ncncc1SC 62a_200000210301_100009816992 [1,0,0,0,0,0|2,1,0]=4 184 B10R1.20 CCc1ncncc1S[13CH3] 62a_100009816992_200025704644 [1,0,0,0,0,0|2,1,0]=4 185 B10R1.20 CCc1ncncc1S[13CH3] 62a_200025704644_100009816992 [1,0,0,0,0,0|2,1,0]=4 186 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.20 CNc1cccnc1SC 62a_200000210301_200011806188 [1,0,0,0,0,0|2,1,0]=4 190 B10R1.20 CNc1cccnc1S[13CH3] 62a_200025704644_200011806188 [1,0,0,0,0,0|2,1,0]=4 191 B10R1.20 CNc1ncccc1SC 62a_100000700899_200000210301 [1,0,0,0,0,0|2,1,0]=4 192 B10R1.20 CNc1ncccc1SC 62a_200000210301_100000700899 [1,0,0,0,0,0|2,1,0]=4 193 B10R1.20 CNc1ncccc1S[13CH3] 62a_100000700899_200025704644 [1,0,0,0,0,0|2,1,0]=4 194 B10R1.20 CNc1ncccc1S[13CH3] 62a_200025704644_100000700899 [1,0,0,0,0,0|2,1,0]=4 195 B10R1.20 CNc1nccnc1C#N 27a_100102657272_100000040484 [1,0,0,0,0,0|2,0,1]=4 196 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [1,0,0,0,0,0|1,0,0]=2 197 B10R1.20 CNc1nccnc1SC 62a_200000210301_100011529439 [1,0,0,0,0,0|1,1,0]=3 198 B10R1.20 CNc1nccnc1S[13CH3] 62a_200025704644_100011529439 [1,0,0,0,0,0|1,1,0]=3 199 B10R1.20 CNc1ncncc1OC 27a_100102657272_100012001275 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.20 COc1cccnc1C#N 34a_100000722750_200000210301 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.20 COc1cccnc1C#N 7a_100000722750_200000210301 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [1,0,0,0,0,0|2,0,0]=3 216 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [1,0,0,0,0,0|2,0,0]=3 219 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.20 COc1cncnc1SC 62a_100012001275_200000210301 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.20 COc1cncnc1SC 62a_200000210301_100012001275 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.20 COc1cncnc1S[13CH3] 62a_100012001275_200025704644 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.20 COc1cncnc1S[13CH3] 62a_200025704644_100012001275 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [1,0,0,0,0,0|2,0,0]=3 231 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [1,0,0,0,0,0|2,0,0]=3 232 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [1,0,0,0,0,0|2,0,0]=3 233 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [1,0,0,0,0,0|1,0,0]=2 234 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [1,0,0,0,0,0|1,0,0]=2 235 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [1,0,0,0,0,0|1,0,0]=2 236 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [1,0,0,0,0,0|1,0,0]=2 237 B10R1.20 COc1ncncc1SC 62a_100000719902_200000210301 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.20 COc1ncncc1SC 62a_200000210301_100000719902 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.20 COc1ncncc1S[13CH3] 62a_100000719902_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.20 COc1ncncc1S[13CH3] 62a_200025704644_100000719902 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.20 CSc1cccnc1CN 62a_100020591323_200000210301 [1,0,0,0,0,0|2,1,0]=4 243 B10R1.20 CSc1cccnc1CN 62a_200000210301_100020591323 [1,0,0,0,0,0|2,1,0]=4 244 B10R1.20 CSc1cccnc1CO 62a_100011996772_200000210301 [1,0,0,0,0,0|2,1,0]=4 245 B10R1.20 CSc1cccnc1CO 62a_200000210301_100011996772 [1,0,0,0,0,0|2,1,0]=4 246 B10R1.20 CSc1cccnc1SC 62a_100011465278_200000210301 [1,0,0,0,0,0|2,1,0]=4 247 B10R1.20 CSc1cccnc1SC 62a_200000210301_100011465278 [1,0,0,0,0,0|2,1,0]=4 248 B10R1.20 CSc1ncccc1CN 62a_100015189234_200000210301 [1,0,0,0,0,0|2,1,0]=4 249 B10R1.20 CSc1ncccc1CN 62a_200000210301_100015189234 [1,0,0,0,0,0|2,1,0]=4 250 B10R1.20 CSc1ncccc1CO 62a_100000748726_200000210301 [1,0,0,0,0,0|2,1,0]=4 251 B10R1.20 CSc1ncccc1CO 62a_200000210301_100000748726 [1,0,0,0,0,0|2,1,0]=4 252 B10R1.20 CSc1ncccc1S[13CH3] 62a_100011465278_200025704644 [1,0,0,0,0,0|2,1,0]=4 253 B10R1.20 CSc1ncccc1S[13CH3] 62a_200025704644_100011465278 [1,0,0,0,0,0|2,1,0]=4 254 B10R1.20 CSc1nccnc1C#N 62a_200000210301_100000040484 [1,0,0,0,0,0|1,1,1]=4 255 B10R1.20 CSc1nccnc1C=O 62a_100000051000_200000210301 [1,0,0,0,0,0|1,1,1]=4 256 B10R1.20 CSc1nccnc1C=O 62a_200000210301_100000051000 [1,0,0,0,0,0|1,1,1]=4 257 B10R1.20 CSc1nccnc1CN 62a_100000729963_200000210301 [1,0,0,0,0,0|1,1,0]=3 258 B10R1.20 CSc1nccnc1CN 62a_200000210301_100000729963 [1,0,0,0,0,0|1,1,0]=3 259 B10R1.20 CSc1nccnc1CO 62a_100000057004_200000210301 [1,0,0,0,0,0|1,1,0]=3 260 B10R1.20 CSc1nccnc1CO 62a_200000210301_100000057004 [1,0,0,0,0,0|1,1,0]=3 261 B10R1.20 CSc1nccnc1NN 62a_200000210301_100000755098 [1,0,0,0,0,0|2,1,0]=4 262 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.20 [13CH3]Oc1cccnc1C#N 34a_100000722750_200025704644 [1,0,0,0,0,0|2,0,1]=4 265 B10R1.20 [13CH3]Oc1cccnc1C#N 7a_100000722750_200025704644 [1,0,0,0,0,0|2,0,1]=4 266 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [1,0,0,0,0,0|2,0,0]=3 269 B10R1.20 [13CH3]Sc1cccnc1CN 62a_100020591323_200025704644 [1,0,0,0,0,0|2,1,0]=4 270 B10R1.20 [13CH3]Sc1cccnc1CN 62a_200025704644_100020591323 [1,0,0,0,0,0|2,1,0]=4 271 B10R1.20 [13CH3]Sc1cccnc1CO 62a_100011996772_200025704644 [1,0,0,0,0,0|2,1,0]=4 272 B10R1.20 [13CH3]Sc1cccnc1CO 62a_200025704644_100011996772 [1,0,0,0,0,0|2,1,0]=4 273 B10R1.20 [13CH3]Sc1ncccc1CN 62a_100015189234_200025704644 [1,0,0,0,0,0|2,1,0]=4 274 B10R1.20 [13CH3]Sc1ncccc1CN 62a_200025704644_100015189234 [1,0,0,0,0,0|2,1,0]=4 275 B10R1.20 [13CH3]Sc1ncccc1CO 62a_100000748726_200025704644 [1,0,0,0,0,0|2,1,0]=4 276 B10R1.20 [13CH3]Sc1ncccc1CO 62a_200025704644_100000748726 [1,0,0,0,0,0|2,1,0]=4 277 B10R1.20 [13CH3]Sc1nccnc1C#N 62a_200025704644_100000040484 [1,0,0,0,0,0|1,1,1]=4 278 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_100000051000_200025704644 [1,0,0,0,0,0|1,1,1]=4 279 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_200025704644_100000051000 [1,0,0,0,0,0|1,1,1]=4 280 B10R1.20 [13CH3]Sc1nccnc1CN 62a_100000729963_200025704644 [1,0,0,0,0,0|1,1,0]=3 281 B10R1.20 [13CH3]Sc1nccnc1CN 62a_200025704644_100000729963 [1,0,0,0,0,0|1,1,0]=3 282 B10R1.20 [13CH3]Sc1nccnc1CO 62a_100000057004_200025704644 [1,0,0,0,0,0|1,1,0]=3 283 B10R1.20 [13CH3]Sc1nccnc1CO 62a_200025704644_100000057004 [1,0,0,0,0,0|1,1,0]=3 284 B10R1.20 [13CH3]Sc1nccnc1NN 62a_200025704644_100000755098 [1,0,0,0,0,0|2,1,0]=4 285 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [1,0,0,0,0,0|1,0,2]=4 286 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [1,0,0,0,0,0|1,0,2]=4 287 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [1,0,0,0,0,0|1,0,2]=4 288 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [1,0,0,0,0,0|0,0,2]=3 289 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [1,0,0,0,0,0|1,0,2]=4 290 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [1,0,0,0,0,0|1,0,2]=4 291 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [1,0,0,0,0,0|1,0,1]=3 294 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [1,0,0,0,0,0|1,0,0]=2 296 B10R1.61 CC(C)c1ncncc1O 271570a_203496583355_100009816988 [1,0,0,0,0,0|2,0,0]=3 297 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [1,0,0,0,0,0|2,0,0]=3 299 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.61 CN(C)c1ncccc1Br 27a_100102631434_100000696092 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [1,0,0,0,0,0|1,0,0]=2 307 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.61 Cc1ccnnc1N(C)C 27a_100102631434_100000089043 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.61 Cc1cncnc1N(C)C 27a_100102631434_100011998708 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [1,0,0,0,0,0|1,0,0]=2 318 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [1,0,0,0,0,0|2,0,1]=4 319 B10R1.61 Oc1cccnc1C(F)F 271570a_203496583355_100010079810 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.61 Oc1ncccc1C(F)F 271570a_203496583355_100010136063 [1,0,0,0,0,0|3,0,0]=4 321 B12R1.46 C=C(C)c1cc(cnc1OC)Br 271570a_100000694244_100009814608 [0,1,0,0,0,0|1,0,2]=4 322 B12R1.46 C=C(C)c1cc(cnc1OC)C 271570a_100000694244_100012353929 [0,1,0,0,0,0|1,0,2]=4 323 B12R1.46 C=C(C)c1cc(cnc1OC)F 271570a_100000694244_100009828472 [0,1,0,0,0,0|1,0,2]=4 324 B12R1.46 C=C(C)c1cc(cnc1OC)N 271570a_100000694244_100012351452 [0,1,0,0,0,0|1,0,2]=4 325 B12R1.46 C=C(C)c1nc(ccc1OC)C 271570a_100000694244_100009820875 [0,1,0,0,0,0|1,0,2]=4 326 B12R1.46 C=C(C)c1nc(ccc1OC)N 271570a_100000694244_100010172607 [0,1,0,0,0,0|1,0,2]=4 327 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 2230a_100000694223_200025704644 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 34a_100000694223_200025704644 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.46 CC(C)c1cc(ccc1N[13CH3])Br 7a_100000694223_200025704644 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 2230a_100011941472_200025704644 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 34a_100011941472_200025704644 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.46 CC(C)c1cc(ccc1N[13CH3])F 7a_100011941472_200025704644 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.46 CC(C)c1cc(ccc1S[13CH3])Br 62a_100010244561_200025704644 [0,1,0,0,0,0|2,1,0]=4 336 B12R1.46 CC(C)c1cc(ccc1S[13CH3])Br 62a_200025704644_100010244561 [0,1,0,0,0,0|2,1,0]=4 337 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.46 CN(C)c1nc(cnc1C#N)N 27a_100102631434_100000099870 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.46 CNc1ccc(cc1C(C)C)Br 2230a_100000694223_200000210301 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.46 CNc1ccc(cc1C(C)C)Br 34a_100000694223_200000210301 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.46 CNc1ccc(cc1C(C)C)Br 7a_100000694223_200000210301 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.46 CNc1ccc(cc1C(C)C)F 2230a_100011941472_200000210301 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.46 CNc1ccc(cc1C(C)C)F 34a_100011941472_200000210301 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.46 CNc1ccc(cc1C(C)C)F 7a_100011941472_200000210301 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [0,1,0,0,0,0|2,0,0]=3 347 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [0,1,0,0,0,0|2,0,0]=3 348 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_200000210301 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_200000210301 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.46 COc1ccc(cc1[C@H](C)N)F 34a_100160469477_200000210301 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.46 COc1ccc(cc1[C@H](C)N)F 7a_100160469477_200000210301 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,1,0,0,0,0|2,0,1]=4 355 B12R1.46 COc1ncc(cc1C(F)F)O 271570a_203496583355_100010751526 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.46 CSc1ccc(cc1C(C)C)Br 62a_100010244561_200000210301 [0,1,0,0,0,0|2,1,0]=4 357 B12R1.46 CSc1ccc(cc1C(C)C)Br 62a_200000210301_100010244561 [0,1,0,0,0,0|2,1,0]=4 358 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 34a_100011853016_200025704644 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 7a_100011853016_200025704644 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 34a_100160469477_200025704644 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 7a_100160469477_200025704644 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.57 C=C(C)c1ccc(nc1OC)C 271570a_100000694244_100010138632 [0,1,0,0,0,0|1,0,2]=4 363 B12R1.57 C=C(C)c1ccc(nc1OC)N 271570a_100000694244_100010187630 [0,1,0,0,0,0|1,0,2]=4 364 B12R1.57 C=C(C)c1ncc(cc1OC)C 271570a_100000694244_200000118316 [0,1,0,0,0,0|1,0,2]=4 365 B12R1.57 C=C(C)c1ncc(cc1OC)F 271570a_100000694244_100009867738 [0,1,0,0,0,0|1,0,2]=4 366 B12R1.57 C=C(C)c1ncc(cc1OC)N 271570a_100000694244_100000097218 [0,1,0,0,0,0|1,0,2]=4 367 B12R1.57 C=C(C)c1ncc(nc1OC)Br 271570a_100000694244_100010214903 [0,1,0,0,0,0|0,0,2]=3 368 B12R1.57 C=C(C)c1ncc(nc1OC)N 271570a_100000694244_100010128448 [0,1,0,0,0,0|0,0,2]=3 369 B12R1.57 C=Cc1nc(cnc1C(C)C)C 271570a_100011290941_100015629263 [0,1,0,0,0,0|1,0,1]=3 370 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 2230a_100012283353_200025704644 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 34a_100012283353_200025704644 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.57 CC(C)c1ccc(cc1N[13CH3])F 7a_100012283353_200025704644 [0,1,0,0,0,0|3,0,0]=4 373 B12R1.57 CN(C)c1ncc(cc1S[13CH3])N 62a_200012353320_200025704644 [0,1,0,0,0,0|2,1,0]=4 374 B12R1.57 CN(C)c1ncc(cc1S[13CH3])N 62a_200025704644_200012353320 [0,1,0,0,0,0|2,1,0]=4 375 B12R1.57 CNc1cc(ccc1C(C)C)F 2230a_100012283353_200000210301 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.57 CNc1cc(ccc1C(C)C)F 34a_100012283353_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.57 CNc1cc(ccc1C(C)C)F 7a_100012283353_200000210301 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.57 CNc1nc(cnc1C(C)C)C 27a_100102657272_100015629263 [0,1,0,0,0,0|1,0,0]=2 379 B12R1.57 COc1cc(ccc1C(C)C)C 34a_100000185798_200000210301 [0,1,0,0,0,0|2,0,0]=3 380 B12R1.57 COc1cc(ccc1C(C)C)C 7a_100000185798_200000210301 [0,1,0,0,0,0|2,0,0]=3 381 B12R1.57 COc1cc(ccc1N(C)C)Cl 2230a_100000061351_200000210301 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.57 COc1cc(ccc1N(C)C)Cl 269982a_100000061351_200000210301 [0,1,0,0,0,0|3,0,0]=4 383 B12R1.57 COc1cc(ccc1N(C)C)Cl 34a_100000061351_200000210301 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.57 COc1cc(ccc1N(C)C)F 2230a_100020633920_200000210301 [0,1,0,0,0,0|3,0,0]=4 385 B12R1.57 COc1cc(ccc1N(C)C)F 269982a_100020633920_200000210301 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.57 COc1cc(ccc1N(C)C)F 34a_100020633920_200000210301 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.57 COc1cc(ccc1N(C)C)F 38a_100020633920_200000210301 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 2230a_100000061351_200025704644 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 269982a_100000061351_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 34a_100000061351_200025704644 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 2230a_100020633920_200025704644 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 269982a_100020633920_200025704644 [0,1,0,0,0,0|3,0,0]=4 393 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 34a_100020633920_200025704644 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 38a_100020633920_200025704644 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,1,0,0,0,0|2,0,1]=4 396 B12R1.57 CSc1cc(cnc1N(C)C)C 27a_100102631434_100010884634 [0,1,0,0,0,0|2,1,0]=4 397 B12R1.57 CSc1cc(cnc1N(C)C)N 62a_200000210301_200012353320 [0,1,0,0,0,0|2,1,0]=4 398 B12R1.57 CSc1cc(cnc1N(C)C)N 62a_200012353320_200000210301 [0,1,0,0,0,0|2,1,0]=4 399 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_100015629263_200000210301 [0,1,0,0,0,0|0,1,0]=2 400 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_200000210301_100015629263 [0,1,0,0,0,0|0,1,0]=2 401 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 34a_100000185798_200025704644 [0,1,0,0,0,0|2,0,0]=3 402 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 7a_100000185798_200025704644 [0,1,0,0,0,0|2,0,0]=3 403 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_100015629263_200025704644 [0,1,0,0,0,0|0,1,0]=2 404 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_200025704644_100015629263 [0,1,0,0,0,0|0,1,0]=2 405 B12R1.76 C=Cc1cccnc1C(C)(C)O 271570a_100011290941_200010080787 [0,1,0,0,0,0|2,0,1]=4 406 B12R1.76 C=Cc1ncccc1C(C)(C)O 271570a_100011290941_100010080783 [0,1,0,0,0,0|2,0,1]=4 407 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 2230a_100000211005_200025704644 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 34a_100000211005_200025704644 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.76 CC(C)(C)c1ccccc1N[13CH3] 7a_100000211005_200025704644 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 34a_100000211619_200025704644 [0,1,0,0,0,0|2,0,0]=3 411 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 7a_100000211619_200025704644 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.76 CC(C)(C)c1ccccc1S[13CH3] 62a_100012339570_200025704644 [0,1,0,0,0,0|2,1,0]=4 413 B12R1.76 CC(C)(C)c1ccccc1S[13CH3] 62a_200025704644_100012339570 [0,1,0,0,0,0|2,1,0]=4 414 B12R1.76 CC(C)(C)c1ncncc1S[13CH3] 62a_200010089871_200025704644 [0,1,0,0,0,0|2,1,0]=4 415 B12R1.76 CC(C)(C)c1ncncc1S[13CH3] 62a_200025704644_200010089871 [0,1,0,0,0,0|2,1,0]=4 416 B12R1.76 CC(C)(N)c1ccccc1S[13CH3] 62a_100020606264_200025704644 [0,1,0,0,0,0|2,1,0]=4 417 B12R1.76 CC(C)(N)c1ccccc1S[13CH3] 62a_200025704644_100020606264 [0,1,0,0,0,0|2,1,0]=4 418 B12R1.76 CC(C)(O)c1ccccc1N[13CH3] 34a_100000081495_200025704644 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.76 CC(C)(O)c1ccccc1N[13CH3] 7a_100000081495_200025704644 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.76 CC(C)(O)c1ccccc1S[13CH3] 62a_100011346021_200025704644 [0,1,0,0,0,0|2,1,0]=4 421 B12R1.76 CC(C)(O)c1ccccc1S[13CH3] 62a_200025704644_100011346021 [0,1,0,0,0,0|2,1,0]=4 422 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_100010080783_200025704644 [0,1,0,0,0,0|1,1,0]=3 423 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_200025704644_100010080783 [0,1,0,0,0,0|1,1,0]=3 424 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200010080787_200025704644 [0,1,0,0,0,0|1,1,0]=3 425 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200025704644_200010080787 [0,1,0,0,0,0|1,1,0]=3 426 B12R1.76 CNc1ccccc1C(C)(C)C 2230a_100000211005_200000210301 [0,1,0,0,0,0|3,0,0]=4 427 B12R1.76 CNc1ccccc1C(C)(C)C 34a_100000211005_200000210301 [0,1,0,0,0,0|3,0,0]=4 428 B12R1.76 CNc1ccccc1C(C)(C)C 7a_100000211005_200000210301 [0,1,0,0,0,0|3,0,0]=4 429 B12R1.76 CNc1ccccc1C(C)(C)O 34a_100000081495_200000210301 [0,1,0,0,0,0|3,0,0]=4 430 B12R1.76 CNc1ccccc1C(C)(C)O 7a_100000081495_200000210301 [0,1,0,0,0,0|3,0,0]=4 431 B12R1.76 CNc1cncnc1C(C)(C)C 27a_100102657272_200010089871 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.76 CNc1nccnc1C(F)(F)F 27a_100102657272_100010291561 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.76 COc1ccccc1C(C)(C)C 34a_100000211619_200000210301 [0,1,0,0,0,0|2,0,0]=3 434 B12R1.76 COc1ccccc1C(C)(C)C 7a_100000211619_200000210301 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.76 COc1ccccc1[Si](C)(C)C 7a_100000095915_200000210301 [0,1,0,0,0,0|2,1,0]=4 436 B12R1.76 COc1cccnc1C(F)(F)F 34a_100009873705_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.76 COc1cccnc1C(F)(F)F 7a_100009873705_200000210301 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.76 COc1nccnc1C(F)(F)F 34a_200009888604_200000210301 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.76 CSc1ccccc1C(C)(C)C 62a_100012339570_200000210301 [0,1,0,0,0,0|2,1,0]=4 440 B12R1.76 CSc1ccccc1C(C)(C)C 62a_200000210301_100012339570 [0,1,0,0,0,0|2,1,0]=4 441 B12R1.76 CSc1ccccc1C(C)(C)N 62a_100020606264_200000210301 [0,1,0,0,0,0|2,1,0]=4 442 B12R1.76 CSc1ccccc1C(C)(C)N 62a_200000210301_100020606264 [0,1,0,0,0,0|2,1,0]=4 443 B12R1.76 CSc1ccccc1C(C)(C)O 62a_100011346021_200000210301 [0,1,0,0,0,0|2,1,0]=4 444 B12R1.76 CSc1ccccc1C(C)(C)O 62a_200000210301_100011346021 [0,1,0,0,0,0|2,1,0]=4 445 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200000210301_200010080787 [0,1,0,0,0,0|1,1,0]=3 446 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200010080787_200000210301 [0,1,0,0,0,0|1,1,0]=3 447 B12R1.76 CSc1cncnc1C(C)(C)C 62a_200000210301_200010089871 [0,1,0,0,0,0|2,1,0]=4 448 B12R1.76 CSc1cncnc1C(C)(C)C 62a_200010089871_200000210301 [0,1,0,0,0,0|2,1,0]=4 449 B12R1.76 CSc1ncccc1C(C)(C)O 62a_100010080783_200000210301 [0,1,0,0,0,0|1,1,0]=3 450 B12R1.76 CSc1ncccc1C(C)(C)O 62a_200000210301_100010080783 [0,1,0,0,0,0|1,1,0]=3 451 B12R1.76 CSc1nccnc1C(F)(F)F 62a_100010291561_200000210301 [0,1,0,0,0,0|2,1,0]=4 452 B12R1.76 CSc1nccnc1C(F)(F)F 62a_200000210301_100010291561 [0,1,0,0,0,0|2,1,0]=4 453 B12R1.76 C[Si](C)(C)c1ccccc1O[13CH3] 7a_100000095915_200025704644 [0,1,0,0,0,0|2,1,0]=4 454 B12R1.76 [13CH3]Oc1cccnc1C(F)(F)F 34a_100009873705_200025704644 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.76 [13CH3]Oc1cccnc1C(F)(F)F 7a_100009873705_200025704644 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.76 [13CH3]Oc1nccnc1C(F)(F)F 34a_200009888604_200025704644 [0,1,0,0,0,0|2,0,0]=3 457 B12R1.76 [13CH3]Sc1nccnc1C(F)(F)F 62a_100010291561_200025704644 [0,1,0,0,0,0|2,1,0]=4 458 B12R1.76 [13CH3]Sc1nccnc1C(F)(F)F 62a_200025704644_100010291561 [0,1,0,0,0,0|2,1,0]=4 459 B12R1.77 C=Cc1cccnc1[C@H](C)OC 271570a_100011290941_106256553109 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.77 CCC(C)c1ccccc1NC 2230a_200000211393_200000210301 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.77 CCC(C)c1ccccc1NC 7a_200000211393_200000210301 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.77 CCC(C)c1ccccc1N[13CH3] 2230a_200000211393_200025704644 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.77 CCC(C)c1ccccc1N[13CH3] 7a_200000211393_200025704644 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.77 CCC(C)c1ccccc1OC 7a_100000211618_200000210301 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.77 CCC(C)c1ccccc1O[13CH3] 7a_100000211618_200025704644 [0,1,0,0,0,0|2,0,0]=3 466 B12R1.77 CCN(C)c1ccccc1OC 2230a_100000219746_100000210202 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.77 CCN(C)c1ccccc1OC 2230a_100020603010_200000210301 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.77 CCN(C)c1ccccc1OC 269982a_100000219746_100000204670 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.77 CCN(C)c1ccccc1OC 269982a_100020603010_200000210301 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.77 CCN(C)c1ccccc1OC 34a_100000219746_100000210202 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.77 CCN([13CH3])c1ccccc1OC 2230a_100020603010_200025704644 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.77 CCN([13CH3])c1ccccc1OC 269982a_100020603010_200025704644 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.77 CCc1nccnc1C(C)NC 269862a_106832991636_100000033879 [0,1,0,0,0,0|1,0,0]=2 474 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,1,0,0,0,0|2,0,1]=4 475 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,1,0,0,0,0|2,0,1]=4 476 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,1,0,0,0,0|2,0,1]=4 477 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,1,0,0,0,0|2,0,1]=4 478 B12R1.77 CNC(C)c1ccccc1OC 2230a_100000185323_200000210301 [0,1,0,0,0,0|2,0,0]=3 479 B12R1.77 CNC(C)c1ccccc1OC 269862a_106832991636_100000173324 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.77 CNC(C)c1ccccc1SC 62a_100000692418_200000210301 [0,1,0,0,0,0|2,1,0]=4 481 B12R1.77 CNC(C)c1ccccc1SC 62a_200000210301_100000692418 [0,1,0,0,0,0|2,1,0]=4 482 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_100000692418_200025704644 [0,1,0,0,0,0|2,1,0]=4 483 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_200025704644_100000692418 [0,1,0,0,0,0|2,1,0]=4 484 B12R1.77 CNC(C)c1cccnc1OC 269862a_106832991636_100012184464 [0,1,0,0,0,0|1,0,0]=2 485 B12R1.77 CNC(C)c1ncccc1OC 269862a_106832991636_100012185210 [0,1,0,0,0,0|1,0,0]=2 486 B12R1.77 CNc1nccnc1C(=O)OC 27a_100102657272_100000079898 [0,1,0,0,0,0|2,0,1]=4 487 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,1,0,0,0,0|2,0,1]=4 488 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,1,0,0,0,0|2,0,1]=4 489 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,1,0,0,0,0|2,0,1]=4 490 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,1,0,0,0,0|2,0,1]=4 491 B12R1.77 COC(=O)c1nccnc1SC 62a_100000688410_200000210301 [0,1,0,0,0,0|1,1,1]=4 492 B12R1.77 COC(=O)c1nccnc1SC 62a_200000210301_100000079898 [0,1,0,0,0,0|1,1,1]=4 493 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_100000688410_200025704644 [0,1,0,0,0,0|1,1,1]=4 494 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000079898 [0,1,0,0,0,0|1,1,1]=4 495 B12R1.77 CO[C@@H](C)c1ncccc1SC 62a_106256553109_200000210301 [0,1,0,0,0,0|1,1,0]=3 496 B12R1.77 CO[C@@H](C)c1ncccc1SC 62a_200000210301_106256553109 [0,1,0,0,0,0|1,1,0]=3 497 B12R1.77 CO[C@@H](C)c1ncccc1S[13CH3] 62a_106256553109_200025704644 [0,1,0,0,0,0|1,1,0]=3 498 B12R1.77 CO[C@@H](C)c1ncccc1S[13CH3] 62a_200025704644_106256553109 [0,1,0,0,0,0|1,1,0]=3 499 B12R1.77 COc1ccccc1C(C)N[13CH3] 2230a_100000185323_200025704644 [0,1,0,0,0,0|2,0,0]=3 500 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [0,1,0,0,0,0|2,0,0]=3 501 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [0,1,0,0,0,0|2,0,0]=3 502 B12R1.77 COc1ccccc1N(C)CF 269982a_100000219746_100015361967 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.77 COc1ccccc1N(C)CF 34a_100000219746_100015361967 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.87 C=C(C)c1nccc(c1OC)N 271570a_100000694244_100000104429 [0,1,0,0,0,0|1,0,2]=4 505 B12R1.87 C=C(C)c1nccc(c1OC)O 271570a_100000694244_100000104430 [0,1,0,0,0,0|1,0,2]=4 506 B12R1.87 CC(C)c1cccc(c1N[13CH3])Br 2230a_100010571509_200025704644 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.87 CC(C)c1cccc(c1N[13CH3])Br 34a_100010571509_200025704644 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.87 CC(C)c1cccc(c1N[13CH3])Br 7a_100010571509_200025704644 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.87 CC(C)c1cccc(c1N[13CH3])Cl 2230a_200009958663_200025704644 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.87 CC(C)c1cccc(c1N[13CH3])Cl 34a_200009958663_200025704644 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.87 CC(C)c1cccc(c1N[13CH3])Cl 7a_200009958663_200025704644 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.87 CNc1c(cccc1C(C)C)Br 2230a_100010571509_200000210301 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.87 CNc1c(cccc1C(C)C)Br 34a_100010571509_200000210301 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.87 CNc1c(cccc1C(C)C)Br 7a_100010571509_200000210301 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.87 CNc1c(cccc1C(C)C)C 2230a_100138557336_200000210301 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.87 CNc1c(cccc1C(C)C)C 34a_100138557336_200000210301 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.87 CNc1c(cccc1C(C)C)C 7a_100138557336_200000210301 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.87 CNc1c(cccc1C(C)C)Cl 2230a_200009958663_200000210301 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.87 CNc1c(cccc1C(C)C)Cl 34a_200009958663_200000210301 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.87 CNc1c(cccc1C(C)C)Cl 7a_200009958663_200000210301 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.87 COc1c(ncnc1N(C)C)N 27a_100102631434_100011998528 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 2230a_100138557336_200025704644 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 34a_100138557336_200025704644 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.87 Cc1cccc(c1N[13CH3])C(C)C 7a_100138557336_200025704644 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.261 C=C(C)c1ccccc1C(C)C 271570a_100000694244_100011218076 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.261 C=C(C)c1cccnc1C(C)N 271570a_100000694244_100159271932 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.261 C=C(C)c1cccnc1N(C)C 271570a_100000694244_100011465059 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.261 C=C(C)c1cccnc1[C@H](C)O 271570a_100000694244_100013325542 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.261 C=C(C)c1cncnc1C(C)C 271570a_100000694244_100009816988 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.261 C=C(C)c1ncccc1C(C)C 271570a_100000694244_200010382935 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.261 C=C(C)c1ncccc1C(C)O 271570a_100000694244_100009865335 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.261 C=C(C)c1nccnc1C(=O)C 271570a_100000694244_100000099859 [0,1,0,0,0,0|1,0,2]=4 533 B12R1.261 C=C(C)c1nccnc1N(C)C 271570a_100000694244_100000703087 [0,1,0,0,0,0|2,0,0]=3 534 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.261 CC(=O)c1cccnc1N(C)C 27a_100102631434_100009816689 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.261 CC(=O)c1nccnc1N(C)C 27a_100102631434_100000099859 [0,1,0,0,0,0|2,0,0]=3 537 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.261 CC(C)c1ccccc1N(C)C 2230a_106256037369_200000210301 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.261 CC(C)c1ccccc1N(C)C 269982a_106256037369_200000210301 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.261 CC(C)c1ccccc1N(C)C 34a_106256037369_200000210301 [0,1,0,0,0,0|3,0,0]=4 541 B12R1.261 CC(C)c1ccccc1N(C)C 38a_106256037369_200000210301 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 2230a_106256037369_200025704644 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 269982a_106256037369_200025704644 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 34a_106256037369_200025704644 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 38a_106256037369_200025704644 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.261 CC(C)c1ncncc1N(C)C 27a_100102631434_100009816988 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.261 CN(C)c1nccnc1C(=O)N 27a_100102631434_100000094861 [0,1,0,0,0,0|3,0,0]=4 548 B12R1.261 CN(C)c1nccnc1N(C)C 27a_100102631434_100000703087 [0,1,0,0,0,0|2,0,0]=3 549 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,1,0,0,0,0|1,0,2]=4 550 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,1,0,0,0,0|1,0,2]=4 551 B12R1.283 C=C(C)c1nccnc1OCC 271570a_100000694244_200010128176 [0,1,0,0,0,0|0,0,2]=3 552 B12R1.283 C=C=Cc1ncccc1C(C)C 271570a_100015277604_200010382935 [0,1,0,0,0,0|2,0,1]=4 553 B12R1.283 C=C=Cc1nccnc1N(C)C 271570a_100015277604_100000703087 [0,1,0,0,0,0|2,0,1]=4 554 B12R1.283 CC(=O)c1ncccc1OCF 34a_100000087166_100015361967 [0,1,0,0,0,0|2,0,1]=4 555 B12R1.283 CC(=O)c1ncccc1OCF 7a_100000087166_100015361967 [0,1,0,0,0,0|2,0,1]=4 556 B12R1.283 CC(=O)c1nccnc1SCF 62a_100000099859_100015361967 [0,1,0,0,0,0|1,1,1]=4 557 B12R1.283 CC(=O)c1nccnc1SCF 62a_100015361967_100000099859 [0,1,0,0,0,0|1,1,1]=4 558 B12R1.283 CC(C)c1ccccc1NCF 34a_100000210643_100015361967 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.283 CC(C)c1ccccc1NCF 7a_100000210643_100015361967 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.283 CC(C)c1ccccc1OCF 34a_100000211617_100015361967 [0,1,0,0,0,0|2,0,0]=3 561 B12R1.283 CC(C)c1ccccc1OCF 7a_100000211617_100015361967 [0,1,0,0,0,0|2,0,0]=3 562 B12R1.283 CC(C)c1ccccc1SCF 62a_100000708600_100015361967 [0,1,0,0,0,0|2,1,0]=4 563 B12R1.283 CC(C)c1ccccc1SCF 62a_100015361967_100000708600 [0,1,0,0,0,0|2,1,0]=4 564 B12R1.283 CC(C)c1cccnc1CO[13CH3] 34a_200009878718_200025704644 [0,1,0,0,0,0|1,0,0]=2 565 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200025704644_200134614246 [0,1,0,0,0,0|1,1,0]=3 566 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200134614246_200025704644 [0,1,0,0,0,0|1,1,0]=3 567 B12R1.283 CC(C)c1cccnc1SCF 62a_100015361967_200010382935 [0,1,0,0,0,0|1,1,0]=3 568 B12R1.283 CC(C)c1cccnc1SCF 62a_200010382935_100015361967 [0,1,0,0,0,0|1,1,0]=3 569 B12R1.283 CC(C)c1ncccc1OCF 34a_100012183336_100015361967 [0,1,0,0,0,0|1,0,0]=2 570 B12R1.283 CC(C)c1ncccc1OCF 7a_100012183336_100015361967 [0,1,0,0,0,0|1,0,0]=2 571 B12R1.283 CC(C)c1ncncc1SCF 62a_100009816988_100015361967 [0,1,0,0,0,0|2,1,0]=4 572 B12R1.283 CC(C)c1ncncc1SCF 62a_100015361967_100009816988 [0,1,0,0,0,0|2,1,0]=4 573 B12R1.283 CC(N)c1ncccc1SCF 62a_100015361967_100159271932 [0,1,0,0,0,0|2,1,0]=4 574 B12R1.283 CC(N)c1ncccc1SCF 62a_100159271932_100015361967 [0,1,0,0,0,0|2,1,0]=4 575 B12R1.283 CC(O)c1ccccc1OCF 34a_200011232679_100015361967 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.283 CC(O)c1ccccc1OCF 7a_200011232679_100015361967 [0,1,0,0,0,0|3,0,0]=4 577 B12R1.283 CC(O)c1cccnc1SCF 62a_100009865335_100015361967 [0,1,0,0,0,0|2,1,0]=4 578 B12R1.283 CC(O)c1cccnc1SCF 62a_100015361967_100009865335 [0,1,0,0,0,0|2,1,0]=4 579 B12R1.283 CC=Cc1ccccc1C(C)C 271570a_100016259895_100011218076 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.283 CC=Cc1cccnc1C(C)N 271570a_100016259895_100159271932 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.283 CC=Cc1cccnc1N(C)C 271570a_100016259895_100011465059 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.283 CC=Cc1cccnc1[C@H](C)O 271570a_100016259895_100013325542 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.283 CC=Cc1cncnc1C(C)C 271570a_100016259895_100009816988 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.283 CC=Cc1ncccc1C(C)C 271570a_100016259895_200010382935 [0,1,0,0,0,0|2,0,0]=3 585 B12R1.283 CC=Cc1ncccc1C(C)O 271570a_100016259895_100009865335 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.283 CC=Cc1nccnc1C(=O)C 271570a_100016259895_100000099859 [0,1,0,0,0,0|2,0,1]=4 587 B12R1.283 CC=Cc1nccnc1N(C)C 271570a_100016259895_100000703087 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.283 CCNc1ccccc1C(C)C 2230a_100000210643_100000210202 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.283 CCNc1ccccc1C(C)C 34a_100000210643_100000210202 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.283 CCNc1ccccc1C(C)C 7a_100000210643_100000210202 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.283 CCNc1cncnc1C(C)C 27a_100015525214_100009816988 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.283 CCNc1nccnc1C(=O)C 27a_100015525214_100000099859 [0,1,0,0,0,0|2,0,1]=4 593 B12R1.283 CCNc1nccnc1N(C)C 27a_100015525214_100000703087 [0,1,0,0,0,0|2,0,0]=3 594 B12R1.283 CCOc1ccccc1C(C)C 34a_100000211617_100000210202 [0,1,0,0,0,0|2,0,0]=3 595 B12R1.283 CCOc1ccccc1C(C)C 7a_100000211617_100000210202 [0,1,0,0,0,0|2,0,0]=3 596 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.283 CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210202 [0,1,0,0,0,0|3,0,0]=4 599 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.283 CCOc1cccnc1C(C)C 34a_100012183336_100000210202 [0,1,0,0,0,0|1,0,0]=2 602 B12R1.283 CCOc1cccnc1C(C)C 7a_100012183336_100000210202 [0,1,0,0,0,0|1,0,0]=2 603 B12R1.283 CCOc1nccnc1C(=O)N 34a_100011830332_100000210202 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.283 CCOc1nccnc1N(C)C 27a_100102631434_200010128176 [0,1,0,0,0,0|1,0,0]=2 605 B12R1.283 CCSc1ccccc1C(C)C 62a_100000210202_100000708600 [0,1,0,0,0,0|2,1,0]=4 606 B12R1.283 CCSc1ccccc1C(C)C 62a_100000708600_100000210202 [0,1,0,0,0,0|2,1,0]=4 607 B12R1.283 CCSc1cccnc1C(C)N 62a_100000210202_100159271932 [0,1,0,0,0,0|2,1,0]=4 608 B12R1.283 CCSc1cccnc1C(C)N 62a_100159271932_100000210202 [0,1,0,0,0,0|2,1,0]=4 609 B12R1.283 CCSc1cccnc1N(C)C 62a_100000210202_100011465059 [0,1,0,0,0,0|2,1,0]=4 610 B12R1.283 CCSc1cccnc1N(C)C 62a_100011465059_100000210202 [0,1,0,0,0,0|2,1,0]=4 611 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100000210202_100013325542 [0,1,0,0,0,0|2,1,0]=4 612 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100013325542_100000210202 [0,1,0,0,0,0|2,1,0]=4 613 B12R1.283 CCSc1cncnc1C(C)C 62a_100000210202_100009816988 [0,1,0,0,0,0|2,1,0]=4 614 B12R1.283 CCSc1cncnc1C(C)C 62a_100009816988_100000210202 [0,1,0,0,0,0|2,1,0]=4 615 B12R1.283 CCSc1ncccc1C(C)C 62a_100000210202_200010382935 [0,1,0,0,0,0|1,1,0]=3 616 B12R1.283 CCSc1ncccc1C(C)C 62a_200010382935_100000210202 [0,1,0,0,0,0|1,1,0]=3 617 B12R1.283 CCSc1ncccc1C(C)O 62a_100000210202_100009865335 [0,1,0,0,0,0|2,1,0]=4 618 B12R1.283 CCSc1ncccc1C(C)O 62a_100009865335_100000210202 [0,1,0,0,0,0|2,1,0]=4 619 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000099859_100000210202 [0,1,0,0,0,0|1,1,1]=4 620 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000210202_100000099859 [0,1,0,0,0,0|1,1,1]=4 621 B12R1.283 CCSc1nccnc1N(C)C 62a_100000210202_100000703087 [0,1,0,0,0,0|1,1,0]=3 622 B12R1.283 CN(C)c1ncccc1SCF 62a_100011465059_100015361967 [0,1,0,0,0,0|2,1,0]=4 623 B12R1.283 CN(C)c1ncccc1SCF 62a_100015361967_100011465059 [0,1,0,0,0,0|2,1,0]=4 624 B12R1.283 CN(C)c1nccnc1SCF 62a_100015361967_100000703087 [0,1,0,0,0,0|1,1,0]=3 625 B12R1.283 CNCc1ccccc1C(C)C 207a_100102657272_100011361515 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.283 CNCc1ccccc1C(C)C 26a_100102657272_100000211617 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.283 CNCc1ccccc1C(C)C 270004a_106832991635_100011361515 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.283 CNCc1cccnc1N(C)C 207a_100102657272_100000731630 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.283 CNCc1cccnc1N(C)C 270004a_106832991635_100000731630 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.283 CNCc1ncccc1C(C)C 2230a_106832991635_200134614246 [0,1,0,0,0,0|2,0,0]=3 631 B12R1.283 CNCc1ncccc1C(C)C 34a_100102657272_200134614246 [0,1,0,0,0,0|2,0,0]=3 632 B12R1.283 CNCc1ncccc1C(C)C 7a_106832991635_200134614246 [0,1,0,0,0,0|2,0,0]=3 633 B12R1.283 COCc1cccnc1C(F)F 34a_100010834607_200000210301 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.283 COCc1cccnc1C(F)F 7a_100010834607_200000210301 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.283 COCc1ncccc1C(C)C 34a_100138415774_200134614246 [0,1,0,0,0,0|1,0,0]=2 636 B12R1.283 COCc1ncccc1C(C)C 34a_200009878718_200000210301 [0,1,0,0,0,0|1,0,0]=2 637 B12R1.283 CSCc1ncccc1C(C)C 62a_200000210301_200134614246 [0,1,0,0,0,0|1,1,0]=3 638 B12R1.283 CSCc1ncccc1C(C)C 62a_200134614246_200000210301 [0,1,0,0,0,0|1,1,0]=3 639 B12R1.283 C[C@@H](N)c1ccccc1OCF 34a_100025703389_100015361967 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.283 C[C@H](O)c1ncccc1SCF 62a_100013325542_100015361967 [0,1,0,0,0,0|2,1,0]=4 641 B12R1.283 C[C@H](O)c1ncccc1SCF 62a_100015361967_100013325542 [0,1,0,0,0,0|2,1,0]=4 642 B12R1.283 NC(=O)c1nccnc1OCF 34a_100011830332_100015361967 [0,1,0,0,0,0|2,0,1]=4 643 B12R1.283 [13CH3]OCc1cccnc1C(F)F 34a_100010834607_200025704644 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.283 [13CH3]OCc1cccnc1C(F)F 7a_100010834607_200025704644 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.437 C=C(C)c1c(ccnc1OC)C 271570a_100000694244_100012353928 [0,1,0,0,0,0|1,0,2]=4 646 B12R1.437 C=C(C)c1c(ccnc1OC)N 271570a_100000694244_100010243811 [0,1,0,0,0,0|1,0,2]=4 647 B12R1.437 CC(C)c1c(ncnc1S[13CH3])N 62a_200011913463_200025704644 [0,1,0,0,0,0|2,1,0]=4 648 B12R1.437 CC(C)c1c(ncnc1S[13CH3])N 62a_200025704644_200011913463 [0,1,0,0,0,0|2,1,0]=4 649 B12R1.437 CSc1ncnc(c1C(C)C)N 62a_200000210301_200011913463 [0,1,0,0,0,0|2,1,0]=4 650 B12R1.437 CSc1ncnc(c1C(C)C)N 62a_200011913463_200000210301 [0,1,0,0,0,0|2,1,0]=4 651 B10R0.4 CC=CC=CC=NNC(C)C 4a_100000741168_100000691131 [0,0,1,0,0,0|3,0,0]=4 652 B12R2.2048 C=Cc1ncccc1C2CC2 271570a_100011290941_100009851976 [0,0,0,1,0,0|2,0,1]=4 653 B12R2.2048 CCc1ccccc1C2CC2 271570a_100011220607_100011215823 [0,0,0,1,0,0|3,0,0]=4 654 B12R2.2048 CCc1cncnc1C2CC2 271570a_100011220607_200000100055 [0,0,0,1,0,0|3,0,0]=4 655 B12R2.2048 CCc1ncccc1C2CC2 271570a_100011220607_100009877225 [0,0,0,1,0,0|2,0,0]=3 656 B12R2.2048 CCc1nccnc1C2CC2 271570a_100011220607_100011995844 [0,0,0,1,0,0|1,0,0]=2 657 B12R2.2048 CCc1ncncc1C2CC2 271570a_100011220607_100009816992 [0,0,0,1,0,0|3,0,0]=4 658 B12R2.2048 CNc1ccccc1C2CC2 271570a_100011220607_100020606079 [0,0,0,1,0,0|3,0,0]=4 659 B12R2.2048 CNc1ccccc1C2CC2 34a_100011236190_200000210301 [0,0,0,1,0,0|3,0,0]=4 660 B12R2.2048 CNc1cccnc1C2CC2 271570a_100011220607_200011806188 [0,0,0,1,0,0|2,0,0]=3 661 B12R2.2048 CNc1cncnc1C2CC2 27a_100102657272_200009889426 [0,0,0,1,0,0|3,0,0]=4 662 B12R2.2048 CNc1ncccc1C2CC2 271570a_100011220607_100000700899 [0,0,0,1,0,0|2,0,0]=3 663 B12R2.2048 CNc1nccnc1C2CC2 271570a_100011220607_100011529439 [0,0,0,1,0,0|1,0,0]=2 664 B12R2.2048 CNc1ncncc1C2CC2 271570a_100011220607_200012180720 [0,0,0,1,0,0|3,0,0]=4 665 B12R2.2048 COc1ccccc1C2CC2 271570a_100011220607_100000174000 [0,0,0,1,0,0|2,0,0]=3 666 B12R2.2048 COc1cccnc1C2CC2 271570a_100011220607_100000690851 [0,0,0,1,0,0|1,0,0]=2 667 B12R2.2048 COc1ccncc1C2CC2 271570a_100011220607_100011997281 [0,0,0,1,0,0|3,0,0]=4 668 B12R2.2048 COc1cnccc1C2CC2 271570a_100011220607_100016988167 [0,0,0,1,0,0|3,0,0]=4 669 B12R2.2048 COc1cncnc1C2CC2 271570a_100011220607_100012001275 [0,0,0,1,0,0|2,0,0]=3 670 B12R2.2048 COc1ncccc1C2CC2 271570a_100011220607_100000047025 [0,0,0,1,0,0|1,0,0]=2 671 B12R2.2048 COc1nccnc1C2CC2 271570a_100011220607_100000749998 [0,0,0,1,0,0|0,0,0]=1 672 B12R2.2048 COc1ncncc1C2CC2 271570a_100011220607_100000719902 [0,0,0,1,0,0|2,0,0]=3 673 B12R2.2048 CSc1ccccc1C2CC2 271570a_100011220607_100011217816 [0,0,0,1,0,0|2,1,0]=4 674 B12R2.2048 CSc1ccccc1C2CC2 62a_100009819954_200000210301 [0,0,0,1,0,0|2,1,0]=4 675 B12R2.2048 CSc1ccccc1C2CC2 62a_200000210301_100009819954 [0,0,0,1,0,0|2,1,0]=4 676 B12R2.2048 CSc1cncnc1C2CC2 62a_200000210301_200009889426 [0,0,0,1,0,0|2,1,0]=4 677 B12R2.2048 CSc1cncnc1C2CC2 62a_200009889426_200000210301 [0,0,0,1,0,0|2,1,0]=4 678 B12R2.2048 CSc1ncccc1C2CC2 271570a_100011220607_100011465278 [0,0,0,1,0,0|1,1,0]=3 679 B12R2.2048 CSc1ncccc1C2CC2 62a_200000210301_100009851976 [0,0,0,1,0,0|1,1,0]=3 680 B12R2.2048 CSc1ncccc1C2CC2 62a_200009850273_200000210301 [0,0,0,1,0,0|1,1,0]=3 681 B12R2.2048 N#Cc1cccnc1C2CC2 271570a_100011220607_100000211984 [0,0,0,1,0,0|3,0,0]=4 682 B12R2.2048 N#Cc1ncccc1C2CC2 271570a_100011220607_100000685805 [0,0,0,1,0,0|3,0,0]=4 683 B12R2.2048 N#Cc1nccnc1C2CC2 271570a_100011220607_100000040484 [0,0,0,1,0,0|2,0,0]=3 684 B12R2.2048 NCc1cccnc1C2CC2 271570a_100011220607_100015189234 [0,0,0,1,0,0|3,0,0]=4 685 B12R2.2048 NCc1ncccc1C2CC2 271570a_100011220607_100020591323 [0,0,0,1,0,0|3,0,0]=4 686 B12R2.2048 NCc1nccnc1C2CC2 271570a_100011220607_100000729963 [0,0,0,1,0,0|2,0,0]=3 687 B12R2.2048 NNc1ncccc1C2CC2 271570a_100011220607_100011464834 [0,0,0,1,0,0|3,0,0]=4 688 B12R2.2048 NNc1nccnc1C2CC2 271570a_100011220607_100000755098 [0,0,0,1,0,0|2,0,0]=3 689 B12R2.2048 O=Cc1cccnc1C2CC2 271570a_100011220607_100009816751 [0,0,0,1,0,0|3,0,0]=4 690 B12R2.2048 O=Cc1ncccc1C2CC2 271570a_100011220607_100011934733 [0,0,0,1,0,0|3,0,0]=4 691 B12R2.2048 OCc1cccnc1C2CC2 271570a_100011220607_100000748726 [0,0,0,1,0,0|3,0,0]=4 692 B12R2.2048 OCc1ncccc1C2CC2 271570a_100011220607_100011996772 [0,0,0,1,0,0|3,0,0]=4 693 B12R2.2048 OCc1nccnc1C2CC2 271570a_100011220607_100000057004 [0,0,0,1,0,0|2,0,0]=3 694 B12R2.2048 [13CH3]Nc1ccccc1C2CC2 34a_100011236190_200025704644 [0,0,0,1,0,0|3,0,0]=4 695 B12R2.2048 [13CH3]Sc1ccccc1C2CC2 62a_100009819954_200025704644 [0,0,0,1,0,0|2,1,0]=4 696 B12R2.2048 [13CH3]Sc1ccccc1C2CC2 62a_200025704644_100009819954 [0,0,0,1,0,0|2,1,0]=4 697 B12R2.2048 [13CH3]Sc1cncnc1C2CC2 62a_200009889426_200025704644 [0,0,0,1,0,0|2,1,0]=4 698 B12R2.2048 [13CH3]Sc1cncnc1C2CC2 62a_200025704644_200009889426 [0,0,0,1,0,0|2,1,0]=4 699 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200009850273_200025704644 [0,0,0,1,0,0|1,1,0]=3 700 B12R2.2048 [13CH3]Sc1ncccc1C2CC2 62a_200025704644_100009851976 [0,0,0,1,0,0|1,1,0]=3 701 B10R1.39 C=C(C)c1c[nH]nc1OC 271570a_100000694244_100010982843 [0,0,0,0,1,0|1,0,2]=4 702 B10R1.39 C=Cc1ccnn1C(C)C 271570a_100011290941_100010264481 [0,0,0,0,1,0|2,0,1]=4 703 B10R1.39 C=Cc1nccn1C(C)C 271570a_100011290941_100009820211 [0,0,0,0,1,0|2,0,1]=4 704 B10R1.39 C=Cc1ncnn1C(C)C 271570a_100011290941_100009989917 [0,0,0,0,1,0|2,0,1]=4 705 B10R1.39 CC(C)c1[nH]ncc1S[13CH3] 62a_100000690187_200025704644 [0,0,0,0,1,0|1,1,1]=4 706 B10R1.39 CC(C)c1[nH]ncc1S[13CH3] 62a_200025704644_100000690187 [0,0,0,0,1,0|1,1,1]=4 707 B10R1.39 CC(C)n1ccnc1S[13CH3] 62a_100009820211_200025704644 [0,0,0,0,1,0|1,1,0]=3 708 B10R1.39 CC(C)n1ccnc1S[13CH3] 62a_200025704644_100009820211 [0,0,0,0,1,0|1,1,0]=3 709 B10R1.39 CC(C)n1nccc1S[13CH3] 62a_100010264481_200025704644 [0,0,0,0,1,0|1,1,0]=3 710 B10R1.39 CC(C)n1nccc1S[13CH3] 62a_200025704644_100010264481 [0,0,0,0,1,0|1,1,0]=3 711 B10R1.39 CC(C)n1ncnc1S[13CH3] 62a_100009989917_200025704644 [0,0,0,0,1,0|1,1,0]=3 712 B10R1.39 CC(C)n1ncnc1S[13CH3] 62a_200025704644_100009989917 [0,0,0,0,1,0|1,1,0]=3 713 B10R1.39 CCn1ncnc1N(C)C 27a_100102631434_100009879425 [0,0,0,0,1,0|3,0,0]=4 714 B10R1.39 CNc1ccnn1C(C)C 27a_100102657272_100010264481 [0,0,0,0,1,0|2,0,0]=3 715 B10R1.39 CNc1ncnn1C(C)C 27a_100102657272_100009989917 [0,0,0,0,1,0|2,0,0]=3 716 B10R1.39 CSc1ccnn1C(C)C 62a_100010264481_200000210301 [0,0,0,0,1,0|1,1,0]=3 717 B10R1.39 CSc1ccnn1C(C)C 62a_200000210301_100010264481 [0,0,0,0,1,0|1,1,0]=3 718 B10R1.39 CSc1cn[nH]c1C(C)C 62a_100000690187_200000210301 [0,0,0,0,1,0|1,1,1]=4 719 B10R1.39 CSc1cn[nH]c1C(C)C 62a_200000210301_100000690187 [0,0,0,0,1,0|1,1,1]=4 720 B10R1.39 CSc1nccn1C(C)C 62a_100009820211_200000210301 [0,0,0,0,1,0|1,1,0]=3 721 B10R1.39 CSc1nccn1C(C)C 62a_200000210301_100009820211 [0,0,0,0,1,0|1,1,0]=3 722 B10R1.39 CSc1ncnn1C(C)C 62a_100009989917_200000210301 [0,0,0,0,1,0|1,1,0]=3 723 B10R1.39 CSc1ncnn1C(C)C 62a_200000210301_100009989917 [0,0,0,0,1,0|1,1,0]=3 724 B12R1.75 C=Cc1cccnc1OC(C)C 271570a_100011290941_200011465186 [0,0,0,0,0,1|2,0,1]=4 725 B12R1.75 CC(=Cc1nccnc1C#N)C 271570a_100102525489_100000040484 [0,0,0,0,0,1|2,0,1]=4 726 B12R1.75 CC(=Cc1nccnc1CN)C 271570a_100102525489_100000729963 [0,0,0,0,0,1|2,0,1]=4 727 B12R1.75 CC(=Cc1nccnc1CO)C 271570a_100102525489_100000057004 [0,0,0,0,0,1|2,0,1]=4 728 B12R1.75 CC(=Cc1nccnc1NN)C 271570a_100102525489_100000755098 [0,0,0,0,0,1|2,0,1]=4 729 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,0,0,0,0,1|2,0,1]=4 730 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,0,0,0,0,1|2,0,1]=4 731 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_100000219599_200025704644 [0,0,0,0,0,1|2,1,0]=4 732 B12R1.75 CC(C)Nc1ccccc1S[13CH3] 62a_200025704644_100000219599 [0,0,0,0,0,1|2,1,0]=4 733 B12R1.75 CC(C)Nc1ncccc1C#N 27a_100138425928_100000211984 [0,0,0,0,0,1|3,0,0]=4 734 B12R1.75 CC(C)Nc1nccnc1C#N 27a_100138425928_100000040484 [0,0,0,0,0,1|2,0,0]=3 735 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 2230a_100000739276_200025704644 [0,0,0,0,0,1|3,0,0]=4 736 B12R1.75 CC(C)Oc1ccccc1N[13CH3] 34a_100000739276_200025704644 [0,0,0,0,0,1|3,0,0]=4 737 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [0,0,0,0,0,1|2,0,0]=3 738 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [0,0,0,0,0,1|2,0,0]=3 739 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_100000173919_200025704644 [0,0,0,0,0,1|2,1,0]=4 740 B12R1.75 CC(C)Oc1ccccc1S[13CH3] 62a_200025704644_100000173919 [0,0,0,0,0,1|2,1,0]=4 741 B12R1.75 CC(C)Oc1cccnc1C#N 34a_100000722750_100000210206 [0,0,0,0,0,1|3,0,0]=4 742 B12R1.75 CC(C)Oc1cccnc1C#N 7a_100000722750_100000210206 [0,0,0,0,0,1|3,0,0]=4 743 B12R1.75 CC(C)Oc1cccnc1CBr 34a_200020655725_100000210206 [0,0,0,0,0,1|3,0,0]=4 744 B12R1.75 CC(C)Oc1cccnc1CBr 7a_200020655725_100000210206 [0,0,0,0,0,1|3,0,0]=4 745 B12R1.75 CC(C)Oc1cccnc1CO 34a_100000731849_100000210206 [0,0,0,0,0,1|3,0,0]=4 746 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200011465186_200025704644 [0,0,0,0,0,1|1,1,0]=3 747 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200025704644_200011465186 [0,0,0,0,0,1|1,1,0]=3 748 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 2230a_100000688217_200025704644 [0,0,0,0,0,1|3,0,0]=4 749 B12R1.75 CC(C)Sc1ccccc1N[13CH3] 34a_100000688217_200025704644 [0,0,0,0,0,1|3,0,0]=4 750 B12R1.75 CC(C)Sc1cccnc1C#N 62a_100000210206_100000685805 [0,0,0,0,0,1|3,0,0]=4 751 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100000210206_100011934733 [0,0,0,0,0,1|3,0,0]=4 752 B12R1.75 CC(C)Sc1cccnc1C=O 62a_100011934733_100000210206 [0,0,0,0,0,1|3,0,0]=4 753 B12R1.75 CC(C)Sc1cccnc1CN 62a_100000210206_100020591323 [0,0,0,0,0,1|3,0,0]=4 754 B12R1.75 CC(C)Sc1cccnc1CN 62a_100020591323_100000210206 [0,0,0,0,0,1|3,0,0]=4 755 B12R1.75 CC(C)Sc1cccnc1CO 62a_100000210206_100011996772 [0,0,0,0,0,1|3,0,0]=4 756 B12R1.75 CC(C)Sc1cccnc1CO 62a_100011996772_100000210206 [0,0,0,0,0,1|3,0,0]=4 757 B12R1.75 CC(C)Sc1cccnc1NN 62a_100000210206_100011464834 [0,0,0,0,0,1|3,0,0]=4 758 B12R1.75 CC(C)Sc1cccnc1NN 62a_100011464834_100000210206 [0,0,0,0,0,1|3,0,0]=4 759 B12R1.75 CC(C)Sc1ncccc1C#N 62a_100000210206_100000211984 [0,0,0,0,0,1|3,0,0]=4 760 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100000210206_100009816751 [0,0,0,0,0,1|3,0,0]=4 761 B12R1.75 CC(C)Sc1ncccc1C=O 62a_100009816751_100000210206 [0,0,0,0,0,1|3,0,0]=4 762 B12R1.75 CC(C)Sc1ncccc1CN 62a_100000210206_100015189234 [0,0,0,0,0,1|3,0,0]=4 763 B12R1.75 CC(C)Sc1ncccc1CN 62a_100015189234_100000210206 [0,0,0,0,0,1|3,0,0]=4 764 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000210206_100000748726 [0,0,0,0,0,1|3,0,0]=4 765 B12R1.75 CC(C)Sc1ncccc1CO 62a_100000748726_100000210206 [0,0,0,0,0,1|3,0,0]=4 766 B12R1.75 CC(C)Sc1nccnc1C#N 62a_100000210206_100000040484 [0,0,0,0,0,1|2,0,0]=3 767 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000051000_100000210206 [0,0,0,0,0,1|2,0,0]=3 768 B12R1.75 CC(C)Sc1nccnc1C=O 62a_100000210206_100000051000 [0,0,0,0,0,1|2,0,0]=3 769 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000210206_100000729963 [0,0,0,0,0,1|2,0,0]=3 770 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000729963_100000210206 [0,0,0,0,0,1|2,0,0]=3 771 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000057004_100000210206 [0,0,0,0,0,1|2,0,0]=3 772 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000210206_100000057004 [0,0,0,0,0,1|2,0,0]=3 773 B12R1.75 CC(C)Sc1nccnc1NN 62a_100000210206_100000755098 [0,0,0,0,0,1|2,0,0]=3 774 B12R1.75 CCc1ccccc1NC(C)C 2230a_100000212081_100000210206 [0,0,0,0,0,1|3,0,0]=4 775 B12R1.75 CCc1ccccc1NC(C)C 34a_100000212081_100000210206 [0,0,0,0,0,1|3,0,0]=4 776 B12R1.75 CCc1ccccc1NC(C)C 7a_100000212081_100000210206 [0,0,0,0,0,1|3,0,0]=4 777 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [0,0,0,0,0,1|3,0,0]=4 778 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [0,0,0,0,0,1|3,0,0]=4 779 B12R1.75 CCc1ccccc1SC(C)C 62a_100000210206_100011215823 [0,0,0,0,0,1|3,0,0]=4 780 B12R1.75 CCc1ccccc1SC(C)C 62a_100011215823_100000210206 [0,0,0,0,0,1|3,0,0]=4 781 B12R1.75 CCc1cncnc1NC(C)C 27a_100138425928_200000100055 [0,0,0,0,0,1|3,0,0]=4 782 B12R1.75 CCc1cncnc1SC(C)C 62a_100000210206_200000100055 [0,0,0,0,0,1|3,0,0]=4 783 B12R1.75 CCc1cncnc1SC(C)C 62a_200000100055_100000210206 [0,0,0,0,0,1|3,0,0]=4 784 B12R1.75 CCc1ncccc1C=C(C)C 271570a_100102525489_100009877225 [0,0,0,0,0,1|2,0,1]=4 785 B12R1.75 CCc1ncccc1SC(C)C 62a_100000210206_100009877225 [0,0,0,0,0,1|2,0,0]=3 786 B12R1.75 CCc1ncccc1SC(C)C 62a_100009877225_100000210206 [0,0,0,0,0,1|2,0,0]=3 787 B12R1.75 CCc1nccnc1C=C(C)C 271570a_100102525489_100011995844 [0,0,0,0,0,1|1,0,1]=3 788 B12R1.75 CCc1nccnc1NC(C)C 27a_100138425928_100011995844 [0,0,0,0,0,1|1,0,0]=2 789 B12R1.75 CCc1nccnc1SC(C)C 62a_100000210206_100011995844 [0,0,0,0,0,1|1,0,0]=2 790 B12R1.75 CCc1nccnc1SC(C)C 62a_100011995844_100000210206 [0,0,0,0,0,1|1,0,0]=2 791 B12R1.75 CCc1ncncc1NC(C)C 27a_100138425928_100009816992 [0,0,0,0,0,1|3,0,0]=4 792 B12R1.75 CCc1ncncc1SC(C)C 62a_100000210206_100009816992 [0,0,0,0,0,1|3,0,0]=4 793 B12R1.75 CCc1ncncc1SC(C)C 62a_100009816992_100000210206 [0,0,0,0,0,1|3,0,0]=4 794 B12R1.75 CNc1ccccc1OC(C)C 2230a_100000739276_200000210301 [0,0,0,0,0,1|3,0,0]=4 795 B12R1.75 CNc1ccccc1OC(C)C 34a_100000033821_100000210206 [0,0,0,0,0,1|3,0,0]=4 796 B12R1.75 CNc1ccccc1OC(C)C 34a_100000739276_200000210301 [0,0,0,0,0,1|3,0,0]=4 797 B12R1.75 CNc1ccccc1SC(C)C 2230a_100000688217_200000210301 [0,0,0,0,0,1|3,0,0]=4 798 B12R1.75 CNc1ccccc1SC(C)C 34a_100000688217_200000210301 [0,0,0,0,0,1|3,0,0]=4 799 B12R1.75 CNc1ccccc1SC(C)C 62a_100000210206_100020606079 [0,0,0,0,0,1|3,0,0]=4 800 B12R1.75 CNc1ccccc1SC(C)C 62a_100020606079_100000210206 [0,0,0,0,0,1|3,0,0]=4 801 B12R1.75 CNc1cccnc1C=C(C)C 271570a_100102525489_200011806188 [0,0,0,0,0,1|2,0,1]=4 802 B12R1.75 CNc1cccnc1SC(C)C 62a_100000210206_200011806188 [0,0,0,0,0,1|2,0,0]=3 803 B12R1.75 CNc1ncccc1C=C(C)C 271570a_100102525489_100000700899 [0,0,0,0,0,1|2,0,1]=4 804 B12R1.75 CNc1ncccc1SC(C)C 62a_100000210206_100000700899 [0,0,0,0,0,1|2,0,0]=3 805 B12R1.75 CNc1ncccc1SC(C)C 62a_100000700899_100000210206 [0,0,0,0,0,1|2,0,0]=3 806 B12R1.75 CNc1nccnc1C=C(C)C 271570a_100102525489_100011529439 [0,0,0,0,0,1|1,0,1]=3 807 B12R1.75 CNc1nccnc1SC(C)C 62a_100000210206_100011529439 [0,0,0,0,0,1|1,0,0]=2 808 B12R1.75 CNc1ncncc1SC(C)C 62a_100000210206_200012180720 [0,0,0,0,0,1|3,0,0]=4 809 B12R1.75 CNc1ncncc1SC(C)C 62a_200012180720_100000210206 [0,0,0,0,0,1|3,0,0]=4 810 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,0,0,0,0,1|2,0,1]=4 811 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [0,0,0,0,0,1|3,0,0]=4 812 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [0,0,0,0,0,1|3,0,0]=4 813 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [0,0,0,0,0,1|3,0,0]=4 814 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [0,0,0,0,0,1|3,0,0]=4 815 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [0,0,0,0,0,1|3,0,0]=4 816 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [0,0,0,0,0,1|3,0,0]=4 817 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [0,0,0,0,0,1|3,0,0]=4 818 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [0,0,0,0,0,1|2,0,0]=3 819 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [0,0,0,0,0,1|2,0,0]=3 820 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [0,0,0,0,0,1|2,0,0]=3 821 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [0,0,0,0,0,1|2,0,0]=3 822 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [0,0,0,0,0,1|2,0,0]=3 823 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [0,0,0,0,0,1|2,0,0]=3 824 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [0,0,0,0,0,1|1,0,1]=3 825 B12R1.75 COc1cccnc1CN(C)C 270004a_100102631434_100011912573 [0,0,0,0,0,1|2,0,0]=3 826 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,0,0,0,0,1|2,0,1]=4 827 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,0,0,0,0,1|2,0,1]=4 828 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [0,0,0,0,0,1|1,0,0]=2 829 B12R1.75 COc1cccnc1SC(C)C 62a_100000210206_100000690851 [0,0,0,0,0,1|1,0,0]=2 830 B12R1.75 COc1cccnc1SC(C)C 62a_100000767102_100000210206 [0,0,0,0,0,1|1,0,0]=2 831 B12R1.75 COc1ccncc1OC(C)C 34a_100000101186_100000210206 [0,0,0,0,0,1|3,0,0]=4 832 B12R1.75 COc1ccncc1SC(C)C 62a_100000210206_100011997281 [0,0,0,0,0,1|3,0,0]=4 833 B12R1.75 COc1ccncc1SC(C)C 62a_100011997281_100000210206 [0,0,0,0,0,1|3,0,0]=4 834 B12R1.75 COc1cnccc1SC(C)C 62a_100000210206_100016988167 [0,0,0,0,0,1|3,0,0]=4 835 B12R1.75 COc1cnccc1SC(C)C 62a_100016988167_100000210206 [0,0,0,0,0,1|3,0,0]=4 836 B12R1.75 COc1cncnc1C=C(C)C 271570a_100102525489_100012001275 [0,0,0,0,0,1|2,0,1]=4 837 B12R1.75 COc1cncnc1NC(C)C 27a_100138425928_100012001275 [0,0,0,0,0,1|2,0,0]=3 838 B12R1.75 COc1cncnc1SC(C)C 62a_100000210206_100012001275 [0,0,0,0,0,1|2,0,0]=3 839 B12R1.75 COc1cncnc1SC(C)C 62a_100012001275_100000210206 [0,0,0,0,0,1|2,0,0]=3 840 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [0,0,0,0,0,1|1,0,1]=3 841 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,0,0,0,0,1|2,0,1]=4 842 B12R1.75 COc1ncccc1CN(C)C 2230a_100102631434_100020631285 [0,0,0,0,0,1|2,0,0]=3 843 B12R1.75 COc1ncccc1CN(C)C 270004a_100102631434_100011290804 [0,0,0,0,0,1|2,0,0]=3 844 B12R1.75 COc1ncccc1OC(C)C 34a_100000698397_100000210206 [0,0,0,0,0,1|1,0,0]=2 845 B12R1.75 COc1ncccc1OC(C)C 7a_100000698397_100000210206 [0,0,0,0,0,1|1,0,0]=2 846 B12R1.75 COc1ncccc1SC(C)C 62a_100000047025_100000210206 [0,0,0,0,0,1|1,0,0]=2 847 B12R1.75 COc1ncccc1SC(C)C 62a_100000210206_100000047025 [0,0,0,0,0,1|1,0,0]=2 848 B12R1.75 COc1nccnc1C=C(C)C 271570a_100102525489_100000749998 [0,0,0,0,0,1|0,0,1]=2 849 B12R1.75 COc1nccnc1NC(C)C 27a_100138425928_100009858322 [0,0,0,0,0,1|0,0,0]=1 850 B12R1.75 COc1nccnc1SC(C)C 62a_100000210206_100000749998 [0,0,0,0,0,1|0,0,0]=1 851 B12R1.75 COc1nccnc1SC(C)C 62a_100009858322_100000210206 [0,0,0,0,0,1|0,0,0]=1 852 B12R1.75 COc1ncncc1C=C(C)C 271570a_100102525489_100000719902 [0,0,0,0,0,1|2,0,1]=4 853 B12R1.75 COc1ncncc1SC(C)C 62a_100000210206_100000719902 [0,0,0,0,0,1|2,0,0]=3 854 B12R1.75 COc1ncncc1SC(C)C 62a_100000719902_100000210206 [0,0,0,0,0,1|2,0,0]=3 855 B12R1.75 CSc1ccccc1NC(C)C 34a_100000211160_100000210206 [0,0,0,0,0,1|2,1,0]=4 856 B12R1.75 CSc1ccccc1NC(C)C 62a_100000219599_200000210301 [0,0,0,0,0,1|2,1,0]=4 857 B12R1.75 CSc1ccccc1NC(C)C 62a_200000210301_100000219599 [0,0,0,0,0,1|2,1,0]=4 858 B12R1.75 CSc1ccccc1OC(C)C 34a_100011216402_100000210206 [0,0,0,0,0,1|2,1,0]=4 859 B12R1.75 CSc1ccccc1OC(C)C 62a_100000173919_200000210301 [0,0,0,0,0,1|2,1,0]=4 860 B12R1.75 CSc1ccccc1OC(C)C 62a_200000210301_100000173919 [0,0,0,0,0,1|2,1,0]=4 861 B12R1.75 CSc1ccccc1SC(C)C 62a_100000210206_100011217816 [0,0,0,0,0,1|2,1,0]=4 862 B12R1.75 CSc1ccccc1SC(C)C 62a_100011217816_100000210206 [0,0,0,0,0,1|2,1,0]=4 863 B12R1.75 CSc1cccnc1OC(C)C 62a_200000210301_200011465186 [0,0,0,0,0,1|1,1,0]=3 864 B12R1.75 CSc1cccnc1OC(C)C 62a_200011465186_200000210301 [0,0,0,0,0,1|1,1,0]=3 865 B12R1.75 CSc1ncccc1C=C(C)C 271570a_100102525489_100011465278 [0,0,0,0,0,1|1,1,1]=4 866 B12R1.75 CSc1ncccc1SC(C)C 62a_100000210206_100011465278 [0,0,0,0,0,1|1,1,0]=3 867 B12R1.75 CSc1ncccc1SC(C)C 62a_100011465278_100000210206 [0,0,0,0,0,1|1,1,0]=3 868 B9R0.2 CCC=CC=NNC(C)C 4a_100000741168_100011216943 [1,0,1,0,0,0|2,0,0]=4 869 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [2,0,0,0,0,0|0,0,2]=4 870 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|2,0,0]=4 871 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [2,0,0,0,0,0|2,0,0]=4 872 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [2,0,0,0,0,0|1,0,0]=3 873 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [2,0,0,0,0,0|0,0,0]=2 874 B9R1.15 CCc1ncncc1O 271570a_203496583355_100009816992 [2,0,0,0,0,0|2,0,0]=4 875 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [2,0,0,0,0,0|2,0,0]=4 876 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [2,0,0,0,0,0|2,0,0]=4 877 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [2,0,0,0,0,0|1,0,0]=3 878 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [2,0,0,0,0,0|2,0,0]=4 879 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [2,0,0,0,0,0|1,0,0]=3 880 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [2,0,0,0,0,0|2,0,0]=4 881 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [2,0,0,0,0,0|2,0,0]=4 882 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 883 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [2,0,0,0,0,0|2,0,0]=4 884 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [2,0,0,0,0,0|1,0,0]=3 885 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [2,0,0,0,0,0|1,0,0]=3 886 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 887 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [2,0,0,0,0,0|2,0,0]=4 888 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 889 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [2,0,0,0,0,0|2,0,0]=4 890 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 891 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 892 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [2,0,0,0,0,0|2,0,0]=4 893 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [2,0,0,0,0,0|2,0,0]=4 894 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [2,0,0,0,0,0|2,0,0]=4 895 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [2,0,0,0,0,0|2,0,0]=4 896 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [2,0,0,0,0,0|2,0,0]=4 897 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [2,0,0,0,0,0|2,0,0]=4 898 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [2,0,0,0,0,0|2,0,0]=4 899 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [2,0,0,0,0,0|0,0,0]=2 900 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [2,0,0,0,0,0|1,0,0]=3 901 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [2,0,0,0,0,0|1,1,0]=4 902 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [2,0,0,0,0,0|1,1,0]=4 903 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [2,0,0,0,0,0|2,0,0]=4 904 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [2,0,0,0,0,0|2,0,0]=4 905 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [2,0,0,0,0,0|1,1,0]=4 906 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [2,0,0,0,0,0|1,1,0]=4 907 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [2,0,0,0,0,0|2,0,0]=4 908 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [2,0,0,0,0,0|2,0,0]=4 909 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [2,0,0,0,0,0|2,0,0]=4 910 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [2,0,0,0,0,0|0,1,0]=3 911 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [2,0,0,0,0,0|0,1,0]=3 912 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [2,0,0,0,0,0|1,1,0]=4 913 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [2,0,0,0,0,0|1,1,0]=4 914 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [2,0,0,0,0,0|1,1,0]=4 915 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [2,0,0,0,0,0|1,1,0]=4 916 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [2,0,0,0,0,0|1,1,0]=4 917 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [2,0,0,0,0,0|1,1,0]=4 918 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [2,0,0,0,0,0|2,0,0]=4 919 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [2,0,0,0,0,0|2,0,0]=4 920 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [2,0,0,0,0,0|1,1,0]=4 921 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [2,0,0,0,0,0|1,1,0]=4 922 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [2,0,0,0,0,0|1,0,0]=3 923 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [2,0,0,0,0,0|1,0,0]=3 924 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [2,0,0,0,0,0|1,1,0]=4 925 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [2,0,0,0,0,0|1,1,0]=4 926 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [2,0,0,0,0,0|0,0,0]=2 927 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [2,0,0,0,0,0|0,1,0]=3 928 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [2,0,0,0,0,0|0,1,0]=3 929 B9R1.15 N#Cc1nccnc1O 271570a_203496583355_100000040484 [2,0,0,0,0,0|1,0,1]=4 930 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [2,0,0,0,0,0|2,0,0]=4 931 B9R1.15 NCc1ncccc1O 271570a_203496583355_100020591323 [2,0,0,0,0,0|2,0,0]=4 932 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [2,0,0,0,0,0|1,0,0]=3 933 B9R1.15 NNc1nccnc1O 271570a_203496583355_100000755098 [2,0,0,0,0,0|2,0,0]=4 934 B9R1.15 OCc1cccnc1O 271570a_203496583355_100000748726 [2,0,0,0,0,0|2,0,0]=4 935 B9R1.15 OCc1ncccc1O 271570a_203496583355_100011996772 [2,0,0,0,0,0|2,0,0]=4 936 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [2,0,0,0,0,0|1,0,0]=3 937 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 938 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [2,0,0,0,0,0|2,0,0]=4 939 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 940 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [2,0,0,0,0,0|2,0,0]=4 941 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 942 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [2,0,0,0,0,0|2,0,0]=4 943 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 944 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 945 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [2,0,0,0,0,0|2,0,0]=4 946 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [2,0,0,0,0,0|2,0,0]=4 947 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [2,0,0,0,0,0|2,0,0]=4 948 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [2,0,0,0,0,0|2,0,0]=4 949 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [2,0,0,0,0,0|2,0,0]=4 950 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [2,0,0,0,0,0|2,0,0]=4 951 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [2,0,0,0,0,0|2,0,0]=4 952 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [2,0,0,0,0,0|2,0,0]=4 953 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [2,0,0,0,0,0|2,0,0]=4 954 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [2,0,0,0,0,0|1,1,0]=4 955 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [2,0,0,0,0,0|1,1,0]=4 956 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [2,0,0,0,0,0|1,1,0]=4 957 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [2,0,0,0,0,0|1,1,0]=4 958 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [2,0,0,0,0,0|1,1,0]=4 959 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [2,0,0,0,0,0|1,1,0]=4 960 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [2,0,0,0,0,0|0,0,2]=4 961 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [2,0,0,0,0,0|1,0,0]=3 962 B11R0.111 COC(=O)C=CC=NNC(C)C 4a_100000741168_100016254430 [0,1,1,0,0,0|2,0,0]=4 963 B11R1.37 C=Cc1ncc(nc1OC)Br 271570a_100011290941_100010214903 [1,1,0,0,0,0|0,0,2]=4 964 B11R1.37 C=Cc1ncc(nc1OC)N 271570a_100011290941_100010128448 [1,1,0,0,0,0|0,0,2]=4 965 B11R1.37 CCc1cc(ccc1OC)Br 34a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.37 CCc1cc(ccc1OC)Br 7a_100012338938_200000210301 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.37 CCc1cc(ccc1OC)F 34a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 970 B11R1.37 CCc1cc(ccc1OC)F 7a_200000035566_200000210301 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.37 CCc1cc(ccc1OC)O 271570a_203496583355_200010179862 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.37 CCc1cc(ccc1O[13CH3])Br 34a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.37 CCc1cc(ccc1O[13CH3])Br 7a_100012338938_200025704644 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.37 CCc1cc(ccc1O[13CH3])F 34a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.37 CCc1cc(ccc1O[13CH3])F 7a_200000035566_200025704644 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.37 CCc1ccc(cc1OC)O 271570a_203496583355_200010710398 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.37 CCc1nc(ccc1OC)C 34a_100000718140_200000210301 [1,1,0,0,0,0|1,0,0]=3 980 B11R1.37 CCc1nc(ccc1OC)C 7a_100000718140_200000210301 [1,1,0,0,0,0|1,0,0]=3 981 B11R1.37 CCc1nc(ccc1O[13CH3])C 34a_100000718140_200025704644 [1,1,0,0,0,0|1,0,0]=3 982 B11R1.37 CCc1nc(ccc1O[13CH3])C 7a_100000718140_200025704644 [1,1,0,0,0,0|1,0,0]=3 983 B11R1.37 CCc1ncc(cc1SC)N 62a_100013085292_200000210301 [1,1,0,0,0,0|1,1,0]=4 984 B11R1.37 CCc1ncc(cc1SC)N 62a_200000210301_100013085292 [1,1,0,0,0,0|1,1,0]=4 985 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_100013085292_200025704644 [1,1,0,0,0,0|1,1,0]=4 986 B11R1.37 CCc1ncc(cc1S[13CH3])N 62a_200025704644_100013085292 [1,1,0,0,0,0|1,1,0]=4 987 B11R1.37 COc1cc(cnc1CO)O 271570a_203496583355_200010246159 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.37 COc1cc(cnc1OC)Br 34a_100010135713_200000210301 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.37 COc1cc(cnc1OC)Cl 34a_200009845368_200000210301 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.37 COc1cc(cnc1OC)O 271570a_203496583355_100010234541 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.37 COc1cc(cnc1O[13CH3])Cl 34a_200009845368_200025704644 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.37 COc1cc(cnc1SC)C 62a_200000210301_200000118316 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.37 COc1cc(cnc1SC)F 62a_100010136273_200000210301 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.37 COc1cc(cnc1SC)F 62a_200000210301_100009867738 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.37 COc1cc(cnc1SC)N 62a_200000210301_100000097218 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.37 COc1cc(cnc1SC)N 62a_200010291755_200000210301 [1,1,0,0,0,0|2,0,0]=4 997 B11R1.37 COc1cc(cnc1S[13CH3])C 62a_200025704644_200000118316 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_100010136273_200025704644 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.37 COc1cc(cnc1S[13CH3])F 62a_200025704644_100009867738 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200010291755_200025704644 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.37 COc1cc(cnc1S[13CH3])N 62a_200025704644_100000097218 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.37 COc1ccc(nc1CCl)C 34a_100020630696_200000210301 [1,1,0,0,0,0|2,0,0]=4 1003 B11R1.37 COc1ccc(nc1CCl)C 7a_100020630696_200000210301 [1,1,0,0,0,0|2,0,0]=4 1004 B11R1.37 COc1ccc(nc1CO)C 34a_100000751967_200000210301 [1,1,0,0,0,0|2,0,0]=4 1005 B11R1.37 COc1ccc(nc1OC)Br 34a_100010893133_200000210301 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.37 COc1ccc(nc1OC)O 271570a_203496583355_100010214848 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.37 COc1ccc(nc1SC)C 62a_100009820875_200000210301 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.37 COc1ccc(nc1SC)C 62a_200000210301_100009820875 [1,1,0,0,0,0|2,0,0]=4 1009 B11R1.37 COc1ccc(nc1SC)N 62a_100010172607_200000210301 [1,1,0,0,0,0|2,0,0]=4 1010 B11R1.37 COc1ccc(nc1SC)N 62a_200000210301_100010172607 [1,1,0,0,0,0|2,0,0]=4 1011 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_100009820875_200025704644 [1,1,0,0,0,0|2,0,0]=4 1012 B11R1.37 COc1ccc(nc1S[13CH3])C 62a_200025704644_100009820875 [1,1,0,0,0,0|2,0,0]=4 1013 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_100010172607_200025704644 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.37 COc1ccc(nc1S[13CH3])N 62a_200025704644_100010172607 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.37 COc1nc(ccc1CN)O 271570a_203496583355_100015687481 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.37 COc1nc(ccc1CO)O 271570a_203496583355_100010988397 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.37 COc1nc(ccc1O[13CH3])Br 34a_100010893133_200025704644 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.37 COc1nc(ccc1SC)C 62a_100010138632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.37 COc1nc(ccc1SC)C 62a_200000210301_100010138632 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.37 COc1nc(ccc1SC)N 62a_100010187630_200000210301 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.37 COc1nc(ccc1SC)N 62a_200000210301_100010187630 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_100010138632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.37 COc1nc(ccc1S[13CH3])C 62a_200025704644_100010138632 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_100010187630_200025704644 [1,1,0,0,0,0|2,0,0]=4 1025 B11R1.37 COc1nc(ccc1S[13CH3])N 62a_200025704644_100010187630 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.37 COc1nc(cnc1SC)Br 62a_100010214903_200000210301 [1,1,0,0,0,0|1,0,0]=3 1027 B11R1.37 COc1nc(cnc1SC)Br 62a_200000210301_100010214903 [1,1,0,0,0,0|1,0,0]=3 1028 B11R1.37 COc1nc(cnc1SC)N 62a_100010128448_200000210301 [1,1,0,0,0,0|1,0,0]=3 1029 B11R1.37 COc1nc(cnc1SC)N 62a_200000210301_100010128448 [1,1,0,0,0,0|1,0,0]=3 1030 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_100010214903_200025704644 [1,1,0,0,0,0|1,0,0]=3 1031 B11R1.37 COc1nc(cnc1S[13CH3])Br 62a_200025704644_100010214903 [1,1,0,0,0,0|1,0,0]=3 1032 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_100010128448_200025704644 [1,1,0,0,0,0|1,0,0]=3 1033 B11R1.37 COc1nc(cnc1S[13CH3])N 62a_200025704644_100010128448 [1,1,0,0,0,0|1,0,0]=3 1034 B11R1.37 COc1ncc(cc1CO)O 271570a_203496583355_100000695684 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.37 COc1ncc(cc1O[13CH3])Br 34a_100010135713_200025704644 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.37 COc1ncc(cc1SC)Br 62a_100009814608_200000210301 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.37 COc1ncc(cc1SC)Br 62a_200000210301_100009814608 [1,1,0,0,0,0|2,0,0]=4 1038 B11R1.37 COc1ncc(cc1SC)C 62a_100012353929_200000210301 [1,1,0,0,0,0|2,0,0]=4 1039 B11R1.37 COc1ncc(cc1SC)C 62a_200000210301_100012353929 [1,1,0,0,0,0|2,0,0]=4 1040 B11R1.37 COc1ncc(cc1SC)F 62a_100009828472_200000210301 [1,1,0,0,0,0|2,0,0]=4 1041 B11R1.37 COc1ncc(cc1SC)F 62a_200000210301_100009828472 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.37 COc1ncc(cc1SC)N 62a_100012351452_200000210301 [1,1,0,0,0,0|2,0,0]=4 1043 B11R1.37 COc1ncc(cc1SC)N 62a_200000210301_100012351452 [1,1,0,0,0,0|2,0,0]=4 1044 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_100009814608_200025704644 [1,1,0,0,0,0|2,0,0]=4 1045 B11R1.37 COc1ncc(cc1S[13CH3])Br 62a_200025704644_100009814608 [1,1,0,0,0,0|2,0,0]=4 1046 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_100012353929_200025704644 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.37 COc1ncc(cc1S[13CH3])C 62a_200025704644_100012353929 [1,1,0,0,0,0|2,0,0]=4 1048 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_100009828472_200025704644 [1,1,0,0,0,0|2,0,0]=4 1049 B11R1.37 COc1ncc(cc1S[13CH3])F 62a_200025704644_100009828472 [1,1,0,0,0,0|2,0,0]=4 1050 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_100012351452_200025704644 [1,1,0,0,0,0|2,0,0]=4 1051 B11R1.37 COc1ncc(cc1S[13CH3])N 62a_200025704644_100012351452 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.37 COc1ncc(nc1NN)O 271570a_203496583355_100010368496 [1,1,0,0,0,0|2,0,0]=4 1053 B11R1.37 COc1ncc(nc1OC)O 271570a_203496583355_100010132954 [1,1,0,0,0,0|1,0,0]=3 1054 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 34a_100020630696_200025704644 [1,1,0,0,0,0|2,0,0]=4 1055 B11R1.37 Cc1ccc(c(n1)CCl)O[13CH3] 7a_100020630696_200025704644 [1,1,0,0,0,0|2,0,0]=4 1056 B11R1.37 Cc1ccc(c(n1)CO)O[13CH3] 34a_100000751967_200025704644 [1,1,0,0,0,0|2,0,0]=4 1057 B11R1.41 C=C=Cc1nccnc1CC 271570a_100015277604_100011995844 [1,1,0,0,0,0|1,0,1]=4 1058 B11R1.41 C=C=Cc1nccnc1OC 271570a_100015277604_100000749998 [1,1,0,0,0,0|0,0,2]=4 1059 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [1,1,0,0,0,0|0,0,2]=4 1060 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [1,1,0,0,0,0|1,0,1]=4 1062 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [1,1,0,0,0,0|1,0,1]=4 1063 B11R1.41 CC=Cc1nccnc1CC 271570a_100016259895_100011995844 [1,1,0,0,0,0|1,0,0]=3 1064 B11R1.41 CC=Cc1nccnc1CN 271570a_100016259895_100000729963 [1,1,0,0,0,0|2,0,0]=4 1065 B11R1.41 CC=Cc1nccnc1CO 271570a_100016259895_100000057004 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.41 CC=Cc1nccnc1NC 271570a_100016259895_100011529439 [1,1,0,0,0,0|1,0,1]=4 1067 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [1,1,0,0,0,0|0,0,1]=3 1068 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [1,1,0,0,0,0|2,0,0]=4 1069 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [1,1,0,0,0,0|2,0,0]=4 1070 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [1,1,0,0,0,0|2,0,0]=4 1071 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1074 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1075 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1076 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1077 B11R1.41 CCNc1nccnc1C#N 27a_100015525214_100000040484 [1,1,0,0,0,0|2,0,0]=4 1078 B11R1.41 CCNc1nccnc1CC 27a_100015525214_100011995844 [1,1,0,0,0,0|1,0,0]=3 1079 B11R1.41 CCNc1nccnc1OC 27a_100015525214_100009858322 [1,1,0,0,0,0|0,0,0]=2 1080 B11R1.41 CCNc1ncncc1OC 27a_100015525214_100012001275 [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [1,1,0,0,0,0|2,0,0]=4 1083 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [1,1,0,0,0,0|2,0,0]=4 1084 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.41 CCOc1cccnc1CBr 34a_200020655725_100000210202 [1,1,0,0,0,0|2,0,0]=4 1089 B11R1.41 CCOc1cccnc1CBr 7a_200020655725_100000210202 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.41 CCOc1cccnc1CO 34a_100000731849_100000210202 [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [1,1,0,0,0,0|1,0,0]=3 1092 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [1,1,0,0,0,0|1,0,0]=3 1093 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [1,1,0,0,0,0|1,1,0]=4 1094 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [1,1,0,0,0,0|1,1,0]=4 1095 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [1,1,0,0,0,0|1,1,0]=4 1096 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [1,1,0,0,0,0|1,1,0]=4 1097 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [1,1,0,0,0,0|1,0,0]=3 1098 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [1,1,0,0,0,0|1,0,0]=3 1099 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [1,1,0,0,0,0|1,0,0]=3 1100 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [1,1,0,0,0,0|1,1,0]=4 1101 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [1,1,0,0,0,0|1,1,0]=4 1102 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [1,1,0,0,0,0|1,1,0]=4 1103 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [1,1,0,0,0,0|1,1,0]=4 1104 B11R1.41 CCOc1nccnc1NC 27a_100102657272_200010128176 [1,1,0,0,0,0|1,0,0]=3 1105 B11R1.41 CCOc1nccnc1SC 62a_200000210301_200010128176 [1,1,0,0,0,0|0,1,0]=3 1106 B11R1.41 CCOc1nccnc1SC 62a_200010128176_200000210301 [1,1,0,0,0,0|0,1,0]=3 1107 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200010128176_200025704644 [1,1,0,0,0,0|0,1,0]=3 1108 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200025704644_200010128176 [1,1,0,0,0,0|0,1,0]=3 1109 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.41 CCSc1cccnc1CC 62a_100000210202_100009877225 [1,1,0,0,0,0|1,1,0]=4 1112 B11R1.41 CCSc1cccnc1CC 62a_100009877225_100000210202 [1,1,0,0,0,0|1,1,0]=4 1113 B11R1.41 CCSc1cccnc1NC 62a_100000210202_100000700899 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.41 CCSc1cccnc1NC 62a_100000700899_100000210202 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [1,1,0,0,0,0|1,0,0]=3 1116 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [1,1,0,0,0,0|1,0,0]=3 1117 B11R1.41 CCSc1cccnc1SC 62a_100000210202_100011465278 [1,1,0,0,0,0|1,1,0]=4 1118 B11R1.41 CCSc1cccnc1SC 62a_100011465278_100000210202 [1,1,0,0,0,0|1,1,0]=4 1119 B11R1.41 CCSc1cncnc1OC 62a_100000210202_100000719902 [1,1,0,0,0,0|2,0,0]=4 1120 B11R1.41 CCSc1cncnc1OC 62a_100000719902_100000210202 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.41 CCSc1ncccc1NC 62a_100000210202_200011806188 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [1,1,0,0,0,0|1,0,0]=3 1123 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [1,1,0,0,0,0|1,0,0]=3 1124 B11R1.41 CCSc1nccnc1C#N 62a_100000210202_100000040484 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.41 CCSc1nccnc1CC 62a_100000210202_100011995844 [1,1,0,0,0,0|0,1,0]=3 1128 B11R1.41 CCSc1nccnc1CC 62a_100011995844_100000210202 [1,1,0,0,0,0|0,1,0]=3 1129 B11R1.41 CCSc1nccnc1CN 62a_100000210202_100000729963 [1,1,0,0,0,0|1,1,0]=4 1130 B11R1.41 CCSc1nccnc1CN 62a_100000729963_100000210202 [1,1,0,0,0,0|1,1,0]=4 1131 B11R1.41 CCSc1nccnc1CO 62a_100000057004_100000210202 [1,1,0,0,0,0|1,1,0]=4 1132 B11R1.41 CCSc1nccnc1CO 62a_100000210202_100000057004 [1,1,0,0,0,0|1,1,0]=4 1133 B11R1.41 CCSc1nccnc1NC 62a_100000210202_100011529439 [1,1,0,0,0,0|1,0,0]=3 1134 B11R1.41 CCSc1nccnc1NN 62a_100000210202_100000755098 [1,1,0,0,0,0|2,0,0]=4 1135 B11R1.41 CCSc1nccnc1OC 62a_100000210202_100000749998 [1,1,0,0,0,0|0,0,0]=2 1136 B11R1.41 CCSc1nccnc1OC 62a_100009858322_100000210202 [1,1,0,0,0,0|0,0,0]=2 1137 B11R1.41 CCSc1ncncc1OC 62a_100000210202_100012001275 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.41 CCSc1ncncc1OC 62a_100012001275_100000210202 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [1,1,0,0,0,0|2,0,0]=4 1140 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [1,1,0,0,0,0|2,0,0]=4 1141 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.41 CCc1ccccc1OCF 34a_100000210936_100015361967 [1,1,0,0,0,0|2,0,0]=4 1144 B11R1.41 CCc1ccccc1OCF 7a_100000210936_100015361967 [1,1,0,0,0,0|2,0,0]=4 1145 B11R1.41 CCc1ncccc1SCF 62a_100009877225_100015361967 [1,1,0,0,0,0|1,1,0]=4 1146 B11R1.41 CCc1ncccc1SCF 62a_100015361967_100009877225 [1,1,0,0,0,0|1,1,0]=4 1147 B11R1.41 CCc1nccnc1SCF 62a_100011995844_100015361967 [1,1,0,0,0,0|0,1,0]=3 1148 B11R1.41 CCc1nccnc1SCF 62a_100015361967_100011995844 [1,1,0,0,0,0|0,1,0]=3 1149 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [1,1,0,0,0,0|2,0,0]=4 1150 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [1,1,0,0,0,0|2,0,0]=4 1152 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [1,1,0,0,0,0|2,0,0]=4 1153 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [1,1,0,0,0,0|2,0,0]=4 1154 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [1,1,0,0,0,0|2,0,0]=4 1155 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [1,1,0,0,0,0|1,0,0]=3 1158 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [1,1,0,0,0,0|1,0,0]=3 1159 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [1,1,0,0,0,0|1,0,0]=3 1160 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [1,1,0,0,0,0|1,0,0]=3 1161 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [1,1,0,0,0,0|1,0,0]=3 1162 B11R1.41 CNCc1cccnc1SC 62a_103496529121_200000210301 [1,1,0,0,0,0|1,1,0]=4 1163 B11R1.41 CNCc1cccnc1SC 62a_200000210301_103496529121 [1,1,0,0,0,0|1,1,0]=4 1164 B11R1.41 CNCc1cccnc1S[13CH3] 62a_103496529121_200025704644 [1,1,0,0,0,0|1,1,0]=4 1165 B11R1.41 CNCc1cccnc1S[13CH3] 62a_200025704644_103496529121 [1,1,0,0,0,0|1,1,0]=4 1166 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [1,1,0,0,0,0|1,0,0]=3 1167 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [1,1,0,0,0,0|1,0,0]=3 1168 B11R1.41 CNc1nccnc1SCF 62a_100015361967_100011529439 [1,1,0,0,0,0|1,1,0]=4 1169 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [1,1,0,0,0,0|2,0,0]=4 1171 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [1,1,0,0,0,0|2,0,0]=4 1175 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [1,1,0,0,0,0|1,0,0]=3 1176 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [1,1,0,0,0,0|1,0,0]=3 1177 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [1,1,0,0,0,0|1,0,0]=3 1178 B11R1.41 COc1ccccc1CCBr 34a_100000722297_200000210301 [1,1,0,0,0,0|2,0,0]=4 1179 B11R1.41 COc1ccccc1CCBr 7a_100000722297_200000210301 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1183 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [1,1,0,0,0,0|2,0,0]=4 1184 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1185 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [1,1,0,0,0,0|2,0,0]=4 1186 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [1,1,0,0,0,0|2,0,0]=4 1187 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [1,1,0,0,0,0|2,0,0]=4 1189 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [1,1,0,0,0,0|1,0,0]=3 1190 B11R1.41 COc1cccnc1OCF 34a_100025773188_100015361967 [1,1,0,0,0,0|2,0,0]=4 1191 B11R1.41 COc1cccnc1SCF 62a_100000767102_100015361967 [1,1,0,0,0,0|2,0,0]=4 1192 B11R1.41 COc1cccnc1SCF 62a_100015361967_100000690851 [1,1,0,0,0,0|2,0,0]=4 1193 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [1,1,0,0,0,0|1,0,0]=3 1194 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [1,1,0,0,0,0|1,0,0]=3 1195 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [1,1,0,0,0,0|1,0,0]=3 1196 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [1,1,0,0,0,0|1,0,0]=3 1197 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [1,1,0,0,0,0|1,0,0]=3 1198 B11R1.41 COc1ncccc1OCF 34a_100000698397_100015361967 [1,1,0,0,0,0|2,0,0]=4 1199 B11R1.41 COc1ncccc1OCF 7a_100000698397_100015361967 [1,1,0,0,0,0|2,0,0]=4 1200 B11R1.41 COc1ncccc1SCF 62a_100000047025_100015361967 [1,1,0,0,0,0|2,0,0]=4 1201 B11R1.41 COc1ncccc1SCF 62a_100015361967_100000047025 [1,1,0,0,0,0|2,0,0]=4 1202 B11R1.41 COc1nccnc1SCF 62a_100009858322_100015361967 [1,1,0,0,0,0|1,0,0]=3 1203 B11R1.41 COc1nccnc1SCF 62a_100015361967_100000749998 [1,1,0,0,0,0|1,0,0]=3 1204 B11R1.41 FCOc1cccnc1CBr 34a_200020655725_100015361967 [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.41 FCOc1cccnc1CBr 7a_200020655725_100015361967 [1,1,0,0,0,0|2,0,0]=4 1206 B11R1.41 NCc1nccnc1SCF 62a_100000729963_100015361967 [1,1,0,0,0,0|1,1,0]=4 1207 B11R1.41 NCc1nccnc1SCF 62a_100015361967_100000729963 [1,1,0,0,0,0|1,1,0]=4 1208 B11R1.41 OCc1ncccc1OCF 34a_100000731849_100015361967 [1,1,0,0,0,0|2,0,0]=4 1209 B11R1.41 OCc1nccnc1SCF 62a_100000057004_100015361967 [1,1,0,0,0,0|1,1,0]=4 1210 B11R1.41 OCc1nccnc1SCF 62a_100015361967_100000057004 [1,1,0,0,0,0|1,1,0]=4 1211 B11R1.41 [13CH3]Oc1ccccc1CCBr 34a_100000722297_200025704644 [1,1,0,0,0,0|2,0,0]=4 1212 B11R1.41 [13CH3]Oc1ccccc1CCBr 7a_100000722297_200025704644 [1,1,0,0,0,0|2,0,0]=4 1213 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1216 B11R1.265 CCc1cccc(c1OC)Br 34a_200010001580_200000210301 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.265 CCc1cccc(c1OC)Br 7a_200010001580_200000210301 [1,1,0,0,0,0|2,0,0]=4 1218 B11R1.265 CCc1cccc(c1OC)C 34a_100000034007_200000210301 [1,1,0,0,0,0|2,0,0]=4 1219 B11R1.265 CCc1cccc(c1OC)C 7a_100000034007_200000210301 [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.265 CCc1cccc(c1O[13CH3])Br 34a_200010001580_200025704644 [1,1,0,0,0,0|2,0,0]=4 1221 B11R1.265 CCc1cccc(c1O[13CH3])Br 7a_200010001580_200025704644 [1,1,0,0,0,0|2,0,0]=4 1222 B11R1.265 CCc1cccc(c1O[13CH3])C 34a_100000034007_200025704644 [1,1,0,0,0,0|2,0,0]=4 1223 B11R1.265 CCc1cccc(c1O[13CH3])C 7a_100000034007_200025704644 [1,1,0,0,0,0|2,0,0]=4 1224 B11R1.265 CCc1occc(=O)c1OC 34a_100000033269_200000210301 [1,1,0,0,0,0|2,0,0]=4 1225 B11R1.265 CCc1occc(=O)c1O[13CH3] 34a_100000033269_200025704644 [1,1,0,0,0,0|2,0,0]=4 1226 B11R1.265 COc1c(ccnc1CO)O 271570a_203496583355_100009869429 [1,1,0,0,0,0|2,0,0]=4 1227 B11R1.265 COc1c(ccnc1SC)N 62a_100000104429_200000210301 [1,1,0,0,0,0|2,0,0]=4 1228 B11R1.265 COc1c(ccnc1SC)N 62a_200000210301_100000104429 [1,1,0,0,0,0|2,0,0]=4 1229 B11R1.265 COc1c(ccnc1SC)O 62a_200000210301_100000104430 [1,1,0,0,0,0|2,0,0]=4 1230 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_100000104429_200025704644 [1,1,0,0,0,0|2,0,0]=4 1231 B11R1.265 COc1c(ccnc1S[13CH3])N 62a_200025704644_100000104429 [1,1,0,0,0,0|2,0,0]=4 1232 B11R1.265 COc1c(ccnc1S[13CH3])O 62a_200025704644_100000104430 [1,1,0,0,0,0|2,0,0]=4 1233 B11R1.265 COc1nccc(c1SC)C 62a_100012353928_200000210301 [1,1,0,0,0,0|2,0,0]=4 1234 B11R1.265 COc1nccc(c1SC)C 62a_200000210301_100012353928 [1,1,0,0,0,0|2,0,0]=4 1235 B11R1.265 COc1nccc(c1SC)N 62a_100010243811_200000210301 [1,1,0,0,0,0|2,0,0]=4 1236 B11R1.265 COc1nccc(c1SC)N 62a_200000210301_100010243811 [1,1,0,0,0,0|2,0,0]=4 1237 B11R1.265 COc1nccc(c1S[13CH3])C 62a_100012353928_200025704644 [1,1,0,0,0,0|2,0,0]=4 1238 B11R1.265 COc1nccc(c1S[13CH3])C 62a_200025704644_100012353928 [1,1,0,0,0,0|2,0,0]=4 1239 B11R1.265 COc1nccc(c1S[13CH3])N 62a_100010243811_200025704644 [1,1,0,0,0,0|2,0,0]=4 1240 B11R1.265 COc1nccc(c1S[13CH3])N 62a_200025704644_100010243811 [1,1,0,0,0,0|2,0,0]=4 1241 B11R1.87 CC(C)(C)c1ccccc1O 271570a_203496583355_100012339570 [1,1,0,0,0,0|2,0,0]=4 1242 B11R1.87 CC(C)(C)c1ncncc1O 271570a_203496583355_200010089871 [1,1,0,0,0,0|2,0,0]=4 1243 B11R1.87 CC(C)(N)c1ccccc1O 271570a_203496583355_100020606264 [1,1,0,0,0,0|2,0,0]=4 1244 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [1,1,0,0,0,0|2,0,0]=4 1245 B11R1.87 CC(C)(O)c1cccnc1O 271570a_203496583355_100010080783 [1,1,0,0,0,0|1,0,0]=3 1246 B11R1.87 CC(C)(O)c1ncccc1O 271570a_203496583355_200010080787 [1,1,0,0,0,0|1,0,0]=3 1247 B11R1.87 Oc1nccnc1C(F)(F)F 271570a_203496583355_100010291561 [1,1,0,0,0,0|2,0,0]=4 1248 B11R1.156 CC(C)c1c(ncnc1O)N 271570a_203496583355_200011913463 [1,1,0,0,0,0|2,0,0]=4 1249 B11R1.159 Cc1c(ccnc1N(C)C)F 27a_100102631434_100009846374 [1,1,0,0,0,0|2,0,0]=4 1250 B11R1.166 C=C(C)c1ncc(nc1C)C 271570a_100000694244_100000065684 [1,1,0,0,0,0|0,0,2]=4 1251 B11R1.166 C=C(C)c1ncc(nc1C)N 271570a_100000694244_100009818570 [1,1,0,0,0,0|0,0,2]=4 1252 B11R1.166 CN(C)c1ncc(cc1O)N 271570a_203496583355_200012353320 [1,1,0,0,0,0|2,0,0]=4 1253 B11R1.166 Cc1cnc(c(n1)O)C(C)C 271570a_203496583355_100015629263 [1,1,0,0,0,0|0,0,0]=2 1254 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [1,1,0,0,0,0|0,0,2]=4 1255 B11R1.167 C=C(C)c1nc(cnc1C)N 271570a_100000694244_100009877824 [1,1,0,0,0,0|0,0,2]=4 1256 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [1,1,0,0,0,0|2,0,0]=4 1257 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [1,1,0,0,0,0|2,0,0]=4 1258 B11R1.167 CN(C)c1nc(cnc1N)O 271570a_203496583355_200010196045 [1,1,0,0,0,0|2,0,0]=4 1259 B11R1.167 Cc1cnc(c(n1)N(C)C)C 27a_100102631434_100000211308 [1,1,0,0,0,0|1,0,0]=3 1260 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [1,1,0,0,0,0|1,0,0]=3 1261 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1262 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [1,1,0,0,0,0|2,0,0]=4 1263 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [1,1,0,0,0,0|2,0,0]=4 1264 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,1,0,0,0,0|2,0,0]=4 1265 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,1,0,0,0,0|2,0,0]=4 1266 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,1,0,0,0,0|2,0,0]=4 1267 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|2,0,0]=4 1268 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [1,1,0,0,0,0|1,0,0]=3 1269 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [1,1,0,0,0,0|1,0,0]=3 1270 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1271 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [1,1,0,0,0,0|2,0,0]=4 1272 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [1,1,0,0,0,0|1,0,0]=3 1273 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [1,1,0,0,0,0|1,0,0]=3 1274 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [1,1,0,0,0,0|2,0,0]=4 1275 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [1,1,0,0,0,0|2,0,0]=4 1276 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [1,1,0,0,0,0|2,0,0]=4 1277 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [1,1,0,0,0,0|0,0,0]=2 1278 B11R1.222 CNC(C)c1nccnc1Cl 269862a_106832991636_100000099859 [1,1,0,0,0,0|1,0,0]=3 1279 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|2,0,0]=4 1280 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [1,1,0,0,0,0|1,0,1]=4 1281 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 1282 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 1283 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [1,1,0,0,0,0|2,0,0]=4 1284 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [1,1,0,0,0,0|2,0,0]=4 1285 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [1,1,0,0,0,0|2,0,0]=4 1286 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [1,1,0,0,0,0|1,0,0]=3 1287 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|2,0,0]=4 1288 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [1,1,0,0,0,0|2,0,0]=4 1289 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,1,0,0,0,0|2,0,0]=4 1290 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,1,0,0,0,0|2,0,0]=4 1291 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 1292 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 1293 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [1,1,0,0,0,0|1,0,0]=3 1294 B11R1.49 CC(C)c1nc(sc1S[13CH3])N 62a_100010209577_200025704644 [0,1,0,0,1,0|1,1,0]=4 1295 B11R1.49 CC(C)c1nc(sc1S[13CH3])N 62a_200025704644_100010209577 [0,1,0,0,1,0|1,1,0]=4 1296 B11R1.49 CSc1sc(nc1C(C)C)N 62a_100010209577_200000210301 [0,1,0,0,1,0|1,1,0]=4 1297 B11R1.49 CSc1sc(nc1C(C)C)N 62a_200000210301_100010209577 [0,1,0,0,1,0|1,1,0]=4 1298 B11R1.58 CC(C)(C)c1n[nH]cc1S[13CH3] 62a_100011471561_200025704644 [0,1,0,0,1,0|1,1,0]=4 1299 B11R1.58 CC(C)(C)c1n[nH]cc1S[13CH3] 62a_200025704644_100011471561 [0,1,0,0,1,0|1,1,0]=4 1300 B11R1.58 CSc1c[nH]nc1C(C)(C)C 62a_100011471561_200000210301 [0,1,0,0,1,0|1,1,0]=4 1301 B11R1.58 CSc1c[nH]nc1C(C)(C)C 62a_200000210301_100011471561 [0,1,0,0,1,0|1,1,0]=4 1302 B11R1.59 CCn1ncnc1C(C)NC 2230a_100011732913_200000210301 [0,1,0,0,1,0|2,0,0]=4 1303 B11R1.59 CCn1ncnc1C(C)N[13CH3] 2230a_100011732913_200025704644 [0,1,0,0,1,0|2,0,0]=4 1304 B11R1.178 C=C(C)c1ccnn1C(C)C 271570a_100000694244_100010264481 [0,1,0,0,1,0|2,0,0]=4 1305 B11R1.178 C=C(C)c1nccn1C(C)C 271570a_100000694244_100009820211 [0,1,0,0,1,0|2,0,0]=4 1306 B11R1.178 C=C(C)c1ncnn1C(C)C 271570a_100000694244_100009989917 [0,1,0,0,1,0|2,0,0]=4 1307 B11R1.178 CC(C)n1nccc1N(C)C 27a_100102631434_100010264481 [0,1,0,0,1,0|2,0,0]=4 1308 B11R1.178 CC(C)n1ncnc1N(C)C 27a_100102631434_100009989917 [0,1,0,0,1,0|2,0,0]=4 1309 B11R1.193 CC(C)c1ocnc1CO[13CH3] 34a_100012017402_200025704644 [0,1,0,0,1,0|1,0,0]=3 1310 B11R1.193 CC(C)c1ocnc1CO[13CH3] 7a_100012017402_200025704644 [0,1,0,0,1,0|1,0,0]=3 1311 B11R1.193 CC(C)n1ccnc1CN[13CH3] 2230a_100015183361_200025704644 [0,1,0,0,1,0|2,0,0]=4 1312 B11R1.193 CC(C)n1ccnc1CO[13CH3] 34a_100015206047_200025704644 [0,1,0,0,1,0|1,0,0]=3 1313 B11R1.193 CC(C)n1ccnc1CO[13CH3] 7a_100015206047_200025704644 [0,1,0,0,1,0|1,0,0]=3 1314 B11R1.193 CC(C)n1ccnc1CS[13CH3] 62a_100000765451_200025704644 [0,1,0,0,1,0|1,1,0]=4 1315 B11R1.193 CC(C)n1ccnc1CS[13CH3] 62a_200025704644_100000765451 [0,1,0,0,1,0|1,1,0]=4 1316 B11R1.193 CC(C)n1ccnc1SCF 62a_100009820211_100015361967 [0,1,0,0,1,0|1,1,0]=4 1317 B11R1.193 CC(C)n1ccnc1SCF 62a_100015361967_100009820211 [0,1,0,0,1,0|1,1,0]=4 1318 B11R1.193 CC(C)n1nccc1CO[13CH3] 34a_100012179370_200025704644 [0,1,0,0,1,0|1,0,0]=3 1319 B11R1.193 CC(C)n1nccc1CO[13CH3] 7a_100012179370_200025704644 [0,1,0,0,1,0|1,0,0]=3 1320 B11R1.193 CC(C)n1nccc1SCF 62a_100010264481_100015361967 [0,1,0,0,1,0|1,1,0]=4 1321 B11R1.193 CC(C)n1nccc1SCF 62a_100015361967_100010264481 [0,1,0,0,1,0|1,1,0]=4 1322 B11R1.193 CC(C)n1ncnc1SCF 62a_100009989917_100015361967 [0,1,0,0,1,0|1,1,0]=4 1323 B11R1.193 CC(C)n1ncnc1SCF 62a_100015361967_100009989917 [0,1,0,0,1,0|1,1,0]=4 1324 B11R1.193 CC=Cc1ccnn1C(C)C 271570a_100016259895_100010264481 [0,1,0,0,1,0|2,0,0]=4 1325 B11R1.193 CC=Cc1nccn1C(C)C 271570a_100016259895_100009820211 [0,1,0,0,1,0|2,0,0]=4 1326 B11R1.193 CC=Cc1ncnn1C(C)C 271570a_100016259895_100009989917 [0,1,0,0,1,0|2,0,0]=4 1327 B11R1.193 CCNc1ccnn1C(C)C 27a_100015525214_100010264481 [0,1,0,0,1,0|2,0,0]=4 1328 B11R1.193 CCNc1ncnn1C(C)C 27a_100015525214_100009989917 [0,1,0,0,1,0|2,0,0]=4 1329 B11R1.193 CCSc1ccnn1C(C)C 62a_100000210202_100010264481 [0,1,0,0,1,0|1,1,0]=4 1330 B11R1.193 CCSc1ccnn1C(C)C 62a_100010264481_100000210202 [0,1,0,0,1,0|1,1,0]=4 1331 B11R1.193 CCSc1nccn1C(C)C 62a_100000210202_100009820211 [0,1,0,0,1,0|1,1,0]=4 1332 B11R1.193 CCSc1nccn1C(C)C 62a_100009820211_100000210202 [0,1,0,0,1,0|1,1,0]=4 1333 B11R1.193 CCSc1ncnn1C(C)C 62a_100000210202_100009989917 [0,1,0,0,1,0|1,1,0]=4 1334 B11R1.193 CCSc1ncnn1C(C)C 62a_100009989917_100000210202 [0,1,0,0,1,0|1,1,0]=4 1335 B11R1.193 CNCc1ccnn1C(C)C 207a_100102657272_100000708477 [0,1,0,0,1,0|2,0,0]=4 1336 B11R1.193 CNCc1ccnn1C(C)C 270004a_106832991635_100000708477 [0,1,0,0,1,0|2,0,0]=4 1337 B11R1.193 CNCc1nccn1C(C)C 2230a_100015183361_200000210301 [0,1,0,0,1,0|2,0,0]=4 1338 B11R1.193 CNCc1nccn1C(C)C 2230a_106832991635_100000765451 [0,1,0,0,1,0|2,0,0]=4 1339 B11R1.193 CNCc1nccn1C(C)C 34a_100102657272_100000765451 [0,1,0,0,1,0|2,0,0]=4 1340 B11R1.193 CNCc1nccn1C(C)C 7a_106832991635_100000765451 [0,1,0,0,1,0|2,0,0]=4 1341 B11R1.193 COCc1ccnn1C(C)C 34a_100012179370_200000210301 [0,1,0,0,1,0|1,0,0]=3 1342 B11R1.193 COCc1ccnn1C(C)C 7a_100012179370_200000210301 [0,1,0,0,1,0|1,0,0]=3 1343 B11R1.193 COCc1nccn1C(C)C 34a_100015206047_200000210301 [0,1,0,0,1,0|1,0,0]=3 1344 B11R1.193 COCc1nccn1C(C)C 34a_100138415774_100000765451 [0,1,0,0,1,0|1,0,0]=3 1345 B11R1.193 COCc1nccn1C(C)C 7a_100015206047_200000210301 [0,1,0,0,1,0|1,0,0]=3 1346 B11R1.193 COCc1ncoc1C(C)C 34a_100012017402_200000210301 [0,1,0,0,1,0|1,0,0]=3 1347 B11R1.193 COCc1ncoc1C(C)C 7a_100012017402_200000210301 [0,1,0,0,1,0|1,0,0]=3 1348 B11R1.193 CSCc1nccn1C(C)C 62a_100000765451_200000210301 [0,1,0,0,1,0|1,1,0]=4 1349 B11R1.193 CSCc1nccn1C(C)C 62a_200000210301_100000765451 [0,1,0,0,1,0|1,1,0]=4 1350 B13R1.51 CC(C)Oc1ncc(cc1S[13CH3])Br 62a_200010177600_200025704644 [0,1,0,0,0,1|1,1,0]=4 1351 B13R1.51 CC(C)Oc1ncc(cc1S[13CH3])Br 62a_200025704644_200010177600 [0,1,0,0,0,1|1,1,0]=4 1352 B13R1.51 CCc1nc(ccc1OC(C)C)C 34a_100000718140_100000210206 [0,1,0,0,0,1|2,0,0]=4 1353 B13R1.51 CCc1nc(ccc1OC(C)C)C 7a_100000718140_100000210206 [0,1,0,0,0,1|2,0,0]=4 1354 B13R1.51 COc1cc(ccc1NC(C)C)Br 34a_100011279103_100000210206 [0,1,0,0,0,1|2,0,0]=4 1355 B13R1.51 COc1cc(ccc1NC(C)C)C 2230a_100000746441_100000210206 [0,1,0,0,0,1|2,0,0]=4 1356 B13R1.51 COc1cc(ccc1NC(C)C)C 34a_100000746441_100000210206 [0,1,0,0,0,1|2,0,0]=4 1357 B13R1.51 COc1cc(ccc1NC(C)C)Cl 34a_100000707585_100000210206 [0,1,0,0,0,1|2,0,0]=4 1358 B13R1.51 COc1cc(ccc1NC(C)C)F 34a_100000737216_100000210206 [0,1,0,0,0,1|2,0,0]=4 1359 B13R1.51 COc1cc(ccc1NC(C)C)I 34a_100015196925_100000210206 [0,1,0,0,0,1|2,0,0]=4 1360 B13R1.51 COc1cc(ccc1NC(C)C)O 34a_100015326901_100000210206 [0,1,0,0,0,1|2,0,0]=4 1361 B13R1.51 COc1cc(ccc1OC(C)C)Br 34a_100000694246_100000210206 [0,1,0,0,0,1|2,0,0]=4 1362 B13R1.51 COc1cc(ccc1OC(C)C)Br 7a_100000694246_100000210206 [0,1,0,0,0,1|2,0,0]=4 1363 B13R1.51 COc1cc(ccc1OC(C)C)C 34a_100000186466_100000210206 [0,1,0,0,0,1|2,0,0]=4 1364 B13R1.51 COc1cc(ccc1OC(C)C)Cl 34a_100000033002_100000210206 [0,1,0,0,0,1|2,0,0]=4 1365 B13R1.51 COc1cc(ccc1OC(C)C)F 34a_100000036057_100000210206 [0,1,0,0,0,1|2,0,0]=4 1366 B13R1.51 COc1cc(ccc1OC(C)C)F 7a_100000036057_100000210206 [0,1,0,0,0,1|2,0,0]=4 1367 B13R1.51 COc1cc(ccc1OC(C)C)I 34a_100000049635_100000210206 [0,1,0,0,0,1|2,0,0]=4 1368 B13R1.51 COc1cc(ccc1OC(C)C)N 34a_100000726020_100000210206 [0,1,0,0,0,1|2,0,0]=4 1369 B13R1.51 COc1cc(ccc1OC(C)C)O 271570a_203496583355_100012354883 [0,1,0,0,0,1|2,0,0]=4 1370 B13R1.51 COc1cc(ccc1SC(C)C)Br 62a_100000210206_100010245111 [0,1,0,0,0,1|2,0,0]=4 1371 B13R1.51 COc1cc(ccc1SC(C)C)Br 62a_100010245111_100000210206 [0,1,0,0,0,1|2,0,0]=4 1372 B13R1.51 COc1cc(ccc1SC(C)C)C 62a_100000210206_100010200004 [0,1,0,0,0,1|2,0,0]=4 1373 B13R1.51 COc1cc(ccc1SC(C)C)C 62a_100010200004_100000210206 [0,1,0,0,0,1|2,0,0]=4 1374 B13R1.51 COc1cc(ccc1SC(C)C)Cl 62a_100000050115_100000210206 [0,1,0,0,0,1|2,0,0]=4 1375 B13R1.51 COc1cc(ccc1SC(C)C)Cl 62a_100000210206_100000050115 [0,1,0,0,0,1|2,0,0]=4 1376 B13R1.51 COc1cc(ccc1SC(C)C)F 62a_100000210206_100000757151 [0,1,0,0,0,1|2,0,0]=4 1377 B13R1.51 COc1cc(ccc1SC(C)C)F 62a_100000757151_100000210206 [0,1,0,0,0,1|2,0,0]=4 1378 B13R1.51 COc1cc(ccc1SC(C)C)N 62a_100000210206_100000765947 [0,1,0,0,0,1|2,0,0]=4 1379 B13R1.51 COc1cc(ccc1SC(C)C)N 62a_100000765947_100000210206 [0,1,0,0,0,1|2,0,0]=4 1380 B13R1.51 COc1cc(ccc1SC(C)C)O 62a_100000210206_100011827694 [0,1,0,0,0,1|2,0,0]=4 1381 B13R1.51 COc1cc(cnc1C=C(C)C)C 271570a_100102525489_200000118316 [0,1,0,0,0,1|1,0,1]=4 1382 B13R1.51 COc1cc(cnc1C=C(C)C)F 271570a_100102525489_100009867738 [0,1,0,0,0,1|1,0,1]=4 1383 B13R1.51 COc1cc(cnc1C=C(C)C)N 271570a_100102525489_100000097218 [0,1,0,0,0,1|1,0,1]=4 1384 B13R1.51 COc1cc(cnc1CN(C)C)Br 270004a_100102631434_100010246152 [0,1,0,0,0,1|2,0,0]=4 1385 B13R1.51 COc1cc(cnc1OC(C)C)Cl 34a_200009845368_100000210206 [0,1,0,0,0,1|1,0,0]=3 1386 B13R1.51 COc1cc(cnc1SC(C)C)C 62a_100000210206_200000118316 [0,1,0,0,0,1|1,0,0]=3 1387 B13R1.51 COc1cc(cnc1SC(C)C)F 62a_100000210206_100009867738 [0,1,0,0,0,1|1,0,0]=3 1388 B13R1.51 COc1cc(cnc1SC(C)C)F 62a_100010136273_100000210206 [0,1,0,0,0,1|1,0,0]=3 1389 B13R1.51 COc1cc(cnc1SC(C)C)N 62a_100000210206_100000097218 [0,1,0,0,0,1|1,0,0]=3 1390 B13R1.51 COc1cc(cnc1SC(C)C)N 62a_200010291755_100000210206 [0,1,0,0,0,1|1,0,0]=3 1391 B13R1.51 COc1nc(ccc1C=C(C)C)C 271570a_100102525489_100010138632 [0,1,0,0,0,1|1,0,1]=4 1392 B13R1.51 COc1nc(ccc1C=C(C)C)N 271570a_100102525489_100010187630 [0,1,0,0,0,1|1,0,1]=4 1393 B13R1.51 COc1nc(ccc1CN(C)C)Br 2230a_100102631434_100016029037 [0,1,0,0,0,1|2,0,0]=4 1394 B13R1.51 COc1nc(ccc1CN(C)C)Br 269982a_100102631434_100016029037 [0,1,0,0,0,1|2,0,0]=4 1395 B13R1.51 COc1nc(ccc1OC(C)C)Br 34a_100010893133_100000210206 [0,1,0,0,0,1|1,0,0]=3 1396 B13R1.51 COc1nc(ccc1SC(C)C)C 62a_100000210206_100010138632 [0,1,0,0,0,1|1,0,0]=3 1397 B13R1.51 COc1nc(ccc1SC(C)C)C 62a_100010138632_100000210206 [0,1,0,0,0,1|1,0,0]=3 1398 B13R1.51 COc1nc(ccc1SC(C)C)N 62a_100000210206_100010187630 [0,1,0,0,0,1|1,0,0]=3 1399 B13R1.51 COc1nc(ccc1SC(C)C)N 62a_100010187630_100000210206 [0,1,0,0,0,1|1,0,0]=3 1400 B13R1.51 COc1nc(cnc1C=C(C)C)Br 271570a_100102525489_100010214903 [0,1,0,0,0,1|0,0,1]=3 1401 B13R1.51 COc1nc(cnc1C=C(C)C)N 271570a_100102525489_100010128448 [0,1,0,0,0,1|0,0,1]=3 1402 B13R1.51 COc1nc(cnc1SC(C)C)Br 62a_100000210206_100010214903 [0,1,0,0,0,1|0,0,0]=2 1403 B13R1.51 COc1nc(cnc1SC(C)C)Br 62a_100010214903_100000210206 [0,1,0,0,0,1|0,0,0]=2 1404 B13R1.51 COc1nc(cnc1SC(C)C)N 62a_100000210206_100010128448 [0,1,0,0,0,1|0,0,0]=2 1405 B13R1.51 COc1nc(cnc1SC(C)C)N 62a_100010128448_100000210206 [0,1,0,0,0,1|0,0,0]=2 1406 B13R1.51 COc1nc(ncc1SC(C)C)Cl 62a_100000210206_200010294032 [0,1,0,0,0,1|2,0,0]=4 1407 B13R1.51 COc1nc(ncc1SC(C)C)Cl 62a_200010294032_100000210206 [0,1,0,0,0,1|2,0,0]=4 1408 B13R1.51 COc1nc(ncc1SC(C)C)N 62a_100000210206_100010240410 [0,1,0,0,0,1|2,0,0]=4 1409 B13R1.51 COc1nc(ncc1SC(C)C)N 62a_100010240410_100000210206 [0,1,0,0,0,1|2,0,0]=4 1410 B13R1.51 CSc1cc(cnc1NC(C)C)C 27a_100138425928_100010884634 [0,1,0,0,0,1|1,1,0]=4 1411 B13R1.51 CSc1cc(cnc1OC(C)C)Br 62a_200000210301_200010177600 [0,1,0,0,0,1|1,1,0]=4 1412 B13R1.51 CSc1cc(cnc1OC(C)C)Br 62a_200010177600_200000210301 [0,1,0,0,0,1|1,1,0]=4 1413 B13R1.51 CSc1cc(cnc1OC(C)C)C 62a_200000210301_200012348018 [0,1,0,0,0,1|1,1,0]=4 1414 B13R1.51 CSc1cc(cnc1OC(C)C)C 62a_200012348018_200000210301 [0,1,0,0,0,1|1,1,0]=4 1415 B13R1.51 CSc1cc(cnc1SC(C)C)C 62a_100000210206_100010884634 [0,1,0,0,0,1|1,1,0]=4 1416 B13R1.51 CSc1cc(cnc1SC(C)C)C 62a_100010884634_100000210206 [0,1,0,0,0,1|1,1,0]=4 1417 B13R1.51 Cc1cnc(c(c1)S[13CH3])OC(C)C 62a_200012348018_200025704644 [0,1,0,0,0,1|1,1,0]=4 1418 B13R1.51 Cc1cnc(c(c1)S[13CH3])OC(C)C 62a_200025704644_200012348018 [0,1,0,0,0,1|1,1,0]=4 1419 B13R1.89 CC(C)N(C)c1nccnc1C#N 27a_200000211004_100000040484 [0,1,0,0,0,1|2,0,0]=4 1420 B13R1.89 CCc1nccnc1C(=C(C)C)C 271570a_200000049429_100011995844 [0,1,0,0,0,1|1,0,1]=4 1421 B13R1.89 CCc1nccnc1N(C)C(C)C 27a_200000211004_100011995844 [0,1,0,0,0,1|1,0,0]=3 1422 B13R1.89 CN(C)C(=O)c1ncccc1O[13CH3] 34a_200011376111_200025704644 [0,1,0,0,0,1|2,0,0]=4 1423 B13R1.89 CN(C)C(=O)c1ncccc1O[13CH3] 7a_200011376111_200025704644 [0,1,0,0,0,1|2,0,0]=4 1424 B13R1.89 CNc1nccnc1C(=C(C)C)C 271570a_200000049429_100011529439 [0,1,0,0,0,1|1,0,1]=4 1425 B13R1.89 COc1ccccc1C(=O)C(C)C 1458a_100000185835_100000210206 [0,1,0,0,0,1|2,0,0]=4 1426 B13R1.89 COc1ccccc1N(C)C(C)C 2230a_100000219746_100000210206 [0,1,0,0,0,1|2,0,0]=4 1427 B13R1.89 COc1ccccc1N(C)C(C)C 269982a_100000219746_100000210206 [0,1,0,0,0,1|2,0,0]=4 1428 B13R1.89 COc1ccccc1N(C)C(C)C 34a_100000219746_100000210206 [0,1,0,0,0,1|2,0,0]=4 1429 B13R1.89 COc1cccnc1C(=C(C)C)C 271570a_200000049429_100000690851 [0,1,0,0,0,1|1,0,1]=4 1430 B13R1.89 COc1cccnc1C(=O)N(C)C 34a_200011376111_200000210301 [0,1,0,0,0,1|2,0,0]=4 1431 B13R1.89 COc1cccnc1C(=O)N(C)C 7a_200011376111_200000210301 [0,1,0,0,0,1|2,0,0]=4 1432 B13R1.89 COc1cncnc1N(C)C(C)C 27a_200000211004_100012001275 [0,1,0,0,0,1|2,0,0]=4 1433 B13R1.89 COc1ncccc1C(=C(C)C)C 271570a_200000049429_100000047025 [0,1,0,0,0,1|1,0,1]=4 1434 B13R1.89 COc1nccnc1C(=C(C)C)C 271570a_200000049429_100000749998 [0,1,0,0,0,1|0,0,1]=3 1435 B13R1.89 COc1nccnc1N(C)C(C)C 27a_200000211004_100009858322 [0,1,0,0,0,1|0,0,0]=2 1436 B13R1.91 C#CC(C)Nc1nccnc1CC 27a_100000707721_100011995844 [0,1,0,0,0,1|1,0,1]=4 1437 B13R1.91 C#CC(C)Nc1nccnc1OC 27a_100000707721_100009858322 [0,1,0,0,0,1|0,0,1]=3 1438 B13R1.91 C#CC(C)Oc1cccnc1OC 34a_100000698397_200000035995 [0,1,0,0,0,1|1,0,1]=4 1439 B13R1.91 C#CC(C)Oc1ncccc1OC 34a_100025773188_200000035995 [0,1,0,0,0,1|1,0,1]=4 1440 B13R1.91 C#CC(C)Sc1cccnc1OC 62a_200000035995_100000047025 [0,1,0,0,0,1|1,0,1]=4 1441 B13R1.91 C#CC(C)Sc1ncccc1OC 62a_200000035995_100000690851 [0,1,0,0,0,1|1,0,1]=4 1442 B13R1.91 C#CC(C)Sc1nccnc1CC 62a_200000035995_100011995844 [0,1,0,0,0,1|1,0,1]=4 1443 B13R1.91 C#CC(C)Sc1nccnc1NC 62a_200000035995_100011529439 [0,1,0,0,0,1|1,0,1]=4 1444 B13R1.91 C#CC(C)Sc1nccnc1OC 62a_200000035995_100000749998 [0,1,0,0,0,1|0,0,1]=3 1445 B13R1.91 C=CC(C)Sc1cccnc1OC 62a_100011215867_100000047025 [0,1,0,0,0,1|1,0,1]=4 1446 B13R1.91 C=CC(C)Sc1ncccc1OC 62a_100011215867_100000690851 [0,1,0,0,0,1|1,0,1]=4 1447 B13R1.91 C=CC(C)Sc1nccnc1CC 62a_100011215867_100011995844 [0,1,0,0,0,1|1,0,1]=4 1448 B13R1.91 C=CC(C)Sc1nccnc1NC 62a_100011215867_100011529439 [0,1,0,0,0,1|1,0,1]=4 1449 B13R1.91 C=CC(C)Sc1nccnc1OC 62a_100011215867_100000749998 [0,1,0,0,0,1|0,0,1]=3 1450 B13R1.91 CC(CO)Sc1nccnc1C#N 62a_100012180447_100000040484 [0,1,0,0,0,1|2,0,0]=4 1451 B13R1.91 CC(CO)Sc1nccnc1C=O 62a_100012180447_100000051000 [0,1,0,0,0,1|2,0,0]=4 1452 B13R1.91 CC(CO)Sc1nccnc1CN 62a_100012180447_100000729963 [0,1,0,0,0,1|2,0,0]=4 1453 B13R1.91 CC(CO)Sc1nccnc1CO 62a_100012180447_100000057004 [0,1,0,0,0,1|2,0,0]=4 1454 B13R1.91 CC(CO)Sc1nccnc1NN 62a_100012180447_100000755098 [0,1,0,0,0,1|2,0,0]=4 1455 B13R1.91 CCC(C)Nc1ccccc1OC 34a_100000210025_100011215416 [0,1,0,0,0,1|2,0,0]=4 1456 B13R1.91 CCC(C)Oc1ccccc1OC 34a_100000210385_100011215416 [0,1,0,0,0,1|2,0,0]=4 1457 B13R1.91 CCC(C)Oc1cccnc1OC 34a_100000698397_100011215416 [0,1,0,0,0,1|1,0,0]=3 1458 B13R1.91 CCC(C)Oc1cccnc1OC 7a_100000698397_100000758301 [0,1,0,0,0,1|1,0,0]=3 1459 B13R1.91 CCC(C)Oc1ncccc1OC 34a_100025773188_100011215416 [0,1,0,0,0,1|1,0,0]=3 1460 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000210334_100000758301 [0,1,0,0,0,1|2,0,0]=4 1461 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000758301_100000210334 [0,1,0,0,0,1|2,0,0]=4 1462 B13R1.91 CCC(C)Sc1cccnc1NC 62a_100000700899_100000758301 [0,1,0,0,0,1|2,0,0]=4 1463 B13R1.91 CCC(C)Sc1cccnc1NC 62a_100000758301_100000700899 [0,1,0,0,0,1|2,0,0]=4 1464 B13R1.91 CCC(C)Sc1cccnc1OC 62a_100000047025_100000758301 [0,1,0,0,0,1|1,0,0]=3 1465 B13R1.91 CCC(C)Sc1cccnc1OC 62a_100000758301_100000047025 [0,1,0,0,0,1|1,0,0]=3 1466 B13R1.91 CCC(C)Sc1cccnc1SC 62a_100000758301_100011465278 [0,1,0,0,0,1|1,1,0]=4 1467 B13R1.91 CCC(C)Sc1cccnc1SC 62a_100011465278_100000758301 [0,1,0,0,0,1|1,1,0]=4 1468 B13R1.91 CCC(C)Sc1cncnc1OC 62a_100000719902_100000758301 [0,1,0,0,0,1|2,0,0]=4 1469 B13R1.91 CCC(C)Sc1cncnc1OC 62a_100000758301_100000719902 [0,1,0,0,0,1|2,0,0]=4 1470 B13R1.91 CCC(C)Sc1ncccc1NC 62a_100000758301_200011806188 [0,1,0,0,0,1|2,0,0]=4 1471 B13R1.91 CCC(C)Sc1ncccc1OC 62a_100000758301_100000690851 [0,1,0,0,0,1|1,0,0]=3 1472 B13R1.91 CCC(C)Sc1ncccc1OC 62a_100000767102_100000758301 [0,1,0,0,0,1|1,0,0]=3 1473 B13R1.91 CCC(C)Sc1nccnc1C#N 62a_100000758301_100000040484 [0,1,0,0,0,1|2,0,0]=4 1474 B13R1.91 CCC(C)Sc1nccnc1C=O 62a_100000051000_100000758301 [0,1,0,0,0,1|2,0,0]=4 1475 B13R1.91 CCC(C)Sc1nccnc1C=O 62a_100000758301_100000051000 [0,1,0,0,0,1|2,0,0]=4 1476 B13R1.91 CCC(C)Sc1nccnc1CN 62a_100000729963_100000758301 [0,1,0,0,0,1|2,0,0]=4 1477 B13R1.91 CCC(C)Sc1nccnc1CN 62a_100000758301_100000729963 [0,1,0,0,0,1|2,0,0]=4 1478 B13R1.91 CCC(C)Sc1nccnc1CO 62a_100000057004_100000758301 [0,1,0,0,0,1|2,0,0]=4 1479 B13R1.91 CCC(C)Sc1nccnc1CO 62a_100000758301_100000057004 [0,1,0,0,0,1|2,0,0]=4 1480 B13R1.91 CCC(C)Sc1nccnc1NC 62a_100000758301_100011529439 [0,1,0,0,0,1|1,0,0]=3 1481 B13R1.91 CCC(C)Sc1nccnc1NN 62a_100000758301_100000755098 [0,1,0,0,0,1|2,0,0]=4 1482 B13R1.91 CCC(C)Sc1nccnc1OC 62a_100000758301_100000749998 [0,1,0,0,0,1|0,0,0]=2 1483 B13R1.91 CCC(C)Sc1nccnc1OC 62a_100009858322_100000758301 [0,1,0,0,0,1|0,0,0]=2 1484 B13R1.91 CCC(C)Sc1ncncc1OC 62a_100000758301_100012001275 [0,1,0,0,0,1|2,0,0]=4 1485 B13R1.91 CCC(C)Sc1ncncc1OC 62a_100012001275_100000758301 [0,1,0,0,0,1|2,0,0]=4 1486 B13R1.91 CCN(C)Cc1cccnc1OC 2230a_100000225621_100020631285 [0,1,0,0,0,1|2,0,0]=4 1487 B13R1.91 CCc1ncccc1SC(C)CC 62a_100000758301_100009877225 [0,1,0,0,0,1|2,0,0]=4 1488 B13R1.91 CCc1ncccc1SC(C)CC 62a_100009877225_100000758301 [0,1,0,0,0,1|2,0,0]=4 1489 B13R1.91 CCc1ncccc1SC(C)CO 62a_100012180447_100009877225 [0,1,0,0,0,1|2,0,0]=4 1490 B13R1.91 CCc1ncccc1SC(C)OC 62a_100009877225_100009879195 [0,1,0,0,0,1|2,0,0]=4 1491 B13R1.91 CCc1ncccc1SC(C)OC 62a_100009879195_100009877225 [0,1,0,0,0,1|2,0,0]=4 1492 B13R1.91 CCc1ncccc1S[C@H](C)CO 62a_100009877225_100016084084 [0,1,0,0,0,1|2,0,0]=4 1493 B13R1.91 CCc1ncccc1S[C@H](C)CO 62a_100016084084_100009877225 [0,1,0,0,0,1|2,0,0]=4 1494 B13R1.91 CCc1nccnc1N[C@H](C)CF 27a_100102880703_100011995844 [0,1,0,0,0,1|1,0,0]=3 1495 B13R1.91 CCc1nccnc1N[C@H](C)CO 27a_100000737577_100011995844 [0,1,0,0,0,1|1,0,0]=3 1496 B13R1.91 CCc1nccnc1SC(C)C#N 62a_100000703298_100011995844 [0,1,0,0,0,1|1,0,1]=4 1497 B13R1.91 CCc1nccnc1SC(C)C#N 62a_100011995844_100000703298 [0,1,0,0,0,1|1,0,1]=4 1498 B13R1.91 CCc1nccnc1SC(C)CC 62a_100000758301_100011995844 [0,1,0,0,0,1|1,0,0]=3 1499 B13R1.91 CCc1nccnc1SC(C)CC 62a_100011995844_100000758301 [0,1,0,0,0,1|1,0,0]=3 1500 B13R1.91 CCc1nccnc1SC(C)CO 62a_100012180447_100011995844 [0,1,0,0,0,1|1,0,0]=3 1501 B13R1.91 CCc1nccnc1SC(C)OC 62a_100009879195_100011995844 [0,1,0,0,0,1|1,0,0]=3 1502 B13R1.91 CCc1nccnc1SC(C)OC 62a_100011995844_100009879195 [0,1,0,0,0,1|1,0,0]=3 1503 B13R1.91 CCc1nccnc1S[C@H](C)CO 62a_100011995844_100016084084 [0,1,0,0,0,1|1,0,0]=3 1504 B13R1.91 CCc1nccnc1S[C@H](C)CO 62a_100016084084_100011995844 [0,1,0,0,0,1|1,0,0]=3 1505 B13R1.91 CNC(C)Cc1ccccc1OC 270004a_106832991635_100000211486 [0,1,0,0,0,1|2,0,0]=4 1506 B13R1.91 CNc1cccnc1SC(C)CO 62a_100012180447_200011806188 [0,1,0,0,0,1|2,0,0]=4 1507 B13R1.91 CNc1cccnc1SC(C)OC 62a_100009879195_200011806188 [0,1,0,0,0,1|2,0,0]=4 1508 B13R1.91 CNc1cccnc1S[C@H](C)CO 62a_100016084084_200011806188 [0,1,0,0,0,1|2,0,0]=4 1509 B13R1.91 CNc1ncccc1SC(C)CO 62a_100012180447_100000700899 [0,1,0,0,0,1|2,0,0]=4 1510 B13R1.91 CNc1ncccc1SC(C)OC 62a_100000700899_100009879195 [0,1,0,0,0,1|2,0,0]=4 1511 B13R1.91 CNc1ncccc1SC(C)OC 62a_100009879195_100000700899 [0,1,0,0,0,1|2,0,0]=4 1512 B13R1.91 CNc1ncccc1S[C@H](C)CO 62a_100000700899_100016084084 [0,1,0,0,0,1|2,0,0]=4 1513 B13R1.91 CNc1ncccc1S[C@H](C)CO 62a_100016084084_100000700899 [0,1,0,0,0,1|2,0,0]=4 1514 B13R1.91 CNc1nccnc1SC(C)C#N 62a_100000703298_100011529439 [0,1,0,0,0,1|1,0,1]=4 1515 B13R1.91 CNc1nccnc1SC(C)CO 62a_100012180447_100011529439 [0,1,0,0,0,1|1,0,0]=3 1516 B13R1.91 CNc1nccnc1SC(C)OC 62a_100009879195_100011529439 [0,1,0,0,0,1|1,0,0]=3 1517 B13R1.91 CNc1nccnc1S[C@H](C)CO 62a_100016084084_100011529439 [0,1,0,0,0,1|1,0,0]=3 1518 B13R1.91 COC(C)Sc1cccnc1SC 62a_100009879195_100011465278 [0,1,0,0,0,1|1,1,0]=4 1519 B13R1.91 COC(C)Sc1cccnc1SC 62a_100011465278_100009879195 [0,1,0,0,0,1|1,1,0]=4 1520 B13R1.91 COC(C)Sc1nccnc1C#N 62a_100009879195_100000040484 [0,1,0,0,0,1|2,0,0]=4 1521 B13R1.91 COC(C)Sc1nccnc1C=O 62a_100000051000_100009879195 [0,1,0,0,0,1|2,0,0]=4 1522 B13R1.91 COC(C)Sc1nccnc1C=O 62a_100009879195_100000051000 [0,1,0,0,0,1|2,0,0]=4 1523 B13R1.91 COC(C)Sc1nccnc1CN 62a_100000729963_100009879195 [0,1,0,0,0,1|2,0,0]=4 1524 B13R1.91 COC(C)Sc1nccnc1CN 62a_100009879195_100000729963 [0,1,0,0,0,1|2,0,0]=4 1525 B13R1.91 COC(C)Sc1nccnc1CO 62a_100000057004_100009879195 [0,1,0,0,0,1|2,0,0]=4 1526 B13R1.91 COC(C)Sc1nccnc1CO 62a_100009879195_100000057004 [0,1,0,0,0,1|2,0,0]=4 1527 B13R1.91 COC(C)Sc1nccnc1NN 62a_100009879195_100000755098 [0,1,0,0,0,1|2,0,0]=4 1528 B13R1.91 COc1ccccc1CC(C)OC 7a_100000691916_200000210301 [0,1,0,0,0,1|2,0,0]=4 1529 B13R1.91 COc1ccccc1CC(C)O[13CH3] 7a_100000691916_200025704644 [0,1,0,0,0,1|2,0,0]=4 1530 B13R1.91 COc1ccccc1NC(C)CO 34a_100000210025_100012180447 [0,1,0,0,0,1|2,0,0]=4 1531 B13R1.91 COc1ccccc1OC(C)CO 34a_100000210385_100012180447 [0,1,0,0,0,1|2,0,0]=4 1532 B13R1.91 COc1ccccc1SC(C)CO 62a_100012180447_100000210334 [0,1,0,0,0,1|2,0,0]=4 1533 B13R1.91 COc1ccccc1SC(C)OC 62a_100000210334_100009879195 [0,1,0,0,0,1|2,0,0]=4 1534 B13R1.91 COc1ccccc1SC(C)OC 62a_100009879195_100000210334 [0,1,0,0,0,1|2,0,0]=4 1535 B13R1.91 COc1ccccc1S[C@H](C)CO 62a_100000210334_100016084084 [0,1,0,0,0,1|2,0,0]=4 1536 B13R1.91 COc1ccccc1S[C@H](C)CO 62a_100016084084_100000210334 [0,1,0,0,0,1|2,0,0]=4 1537 B13R1.91 COc1cccnc1OC(C)CO 34a_100025773188_100012180447 [0,1,0,0,0,1|1,0,0]=3 1538 B13R1.91 COc1cccnc1SC(C)C#N 62a_100000703298_100000690851 [0,1,0,0,0,1|1,0,1]=4 1539 B13R1.91 COc1cccnc1SC(C)C#N 62a_100000767102_100000703298 [0,1,0,0,0,1|1,0,1]=4 1540 B13R1.91 COc1cccnc1SC(C)CO 62a_100012180447_100000690851 [0,1,0,0,0,1|1,0,0]=3 1541 B13R1.91 COc1cccnc1SC(C)OC 62a_100000767102_100009879195 [0,1,0,0,0,1|1,0,0]=3 1542 B13R1.91 COc1cccnc1SC(C)OC 62a_100009879195_100000690851 [0,1,0,0,0,1|1,0,0]=3 1543 B13R1.91 COc1cccnc1S[C@H](C)CO 62a_100000767102_100016084084 [0,1,0,0,0,1|1,0,0]=3 1544 B13R1.91 COc1cccnc1S[C@H](C)CO 62a_100016084084_100000690851 [0,1,0,0,0,1|1,0,0]=3 1545 B13R1.91 COc1cncnc1N[C@H](C)CF 27a_100102880703_100012001275 [0,1,0,0,0,1|2,0,0]=4 1546 B13R1.91 COc1cncnc1N[C@H](C)CO 27a_100000737577_100012001275 [0,1,0,0,0,1|2,0,0]=4 1547 B13R1.91 COc1cncnc1SC(C)CO 62a_100012180447_100012001275 [0,1,0,0,0,1|2,0,0]=4 1548 B13R1.91 COc1cncnc1SC(C)OC 62a_100009879195_100012001275 [0,1,0,0,0,1|2,0,0]=4 1549 B13R1.91 COc1cncnc1SC(C)OC 62a_100012001275_100009879195 [0,1,0,0,0,1|2,0,0]=4 1550 B13R1.91 COc1cncnc1S[C@H](C)CO 62a_100012001275_100016084084 [0,1,0,0,0,1|2,0,0]=4 1551 B13R1.91 COc1cncnc1S[C@H](C)CO 62a_100016084084_100012001275 [0,1,0,0,0,1|2,0,0]=4 1552 B13R1.91 COc1ncccc1OC(C)C#N 7a_100000698397_100000703298 [0,1,0,0,0,1|1,0,1]=4 1553 B13R1.91 COc1ncccc1OC(C)CO 34a_100000698397_100012180447 [0,1,0,0,0,1|1,0,0]=3 1554 B13R1.91 COc1ncccc1OC(C)CO 7a_100000698397_100012180447 [0,1,0,0,0,1|1,0,0]=3 1555 B13R1.91 COc1ncccc1SC(C)C#N 62a_100000047025_100000703298 [0,1,0,0,0,1|1,0,1]=4 1556 B13R1.91 COc1ncccc1SC(C)C#N 62a_100000703298_100000047025 [0,1,0,0,0,1|1,0,1]=4 1557 B13R1.91 COc1ncccc1SC(C)CO 62a_100012180447_100000047025 [0,1,0,0,0,1|1,0,0]=3 1558 B13R1.91 COc1ncccc1SC(C)OC 62a_100000047025_100009879195 [0,1,0,0,0,1|1,0,0]=3 1559 B13R1.91 COc1ncccc1SC(C)OC 62a_100009879195_100000047025 [0,1,0,0,0,1|1,0,0]=3 1560 B13R1.91 COc1ncccc1S[C@H](C)CO 62a_100000047025_100016084084 [0,1,0,0,0,1|1,0,0]=3 1561 B13R1.91 COc1ncccc1S[C@H](C)CO 62a_100016084084_100000047025 [0,1,0,0,0,1|1,0,0]=3 1562 B13R1.91 COc1nccnc1N[C@H](C)CF 27a_100102880703_100009858322 [0,1,0,0,0,1|0,0,0]=2 1563 B13R1.91 COc1nccnc1N[C@H](C)CO 27a_100000737577_100009858322 [0,1,0,0,0,1|0,0,0]=2 1564 B13R1.91 COc1nccnc1SC(C)C#N 62a_100000703298_100000749998 [0,1,0,0,0,1|0,0,1]=3 1565 B13R1.91 COc1nccnc1SC(C)C#N 62a_100009858322_100000703298 [0,1,0,0,0,1|0,0,1]=3 1566 B13R1.91 COc1nccnc1SC(C)CO 62a_100012180447_100000749998 [0,1,0,0,0,1|0,0,0]=2 1567 B13R1.91 COc1nccnc1SC(C)OC 62a_100009858322_100009879195 [0,1,0,0,0,1|0,0,0]=2 1568 B13R1.91 COc1nccnc1SC(C)OC 62a_100009879195_100000749998 [0,1,0,0,0,1|0,0,0]=2 1569 B13R1.91 COc1nccnc1SC(F)C#N 62a_100009858322_200000117898 [0,1,0,0,0,1|1,0,1]=4 1570 B13R1.91 COc1nccnc1SC(F)C#N 62a_200000117898_100000749998 [0,1,0,0,0,1|1,0,1]=4 1571 B13R1.91 COc1nccnc1S[C@H](C)CO 62a_100009858322_100016084084 [0,1,0,0,0,1|0,0,0]=2 1572 B13R1.91 COc1nccnc1S[C@H](C)CO 62a_100016084084_100000749998 [0,1,0,0,0,1|0,0,0]=2 1573 B13R1.91 COc1ncncc1SC(C)CO 62a_100012180447_100000719902 [0,1,0,0,0,1|2,0,0]=4 1574 B13R1.91 COc1ncncc1SC(C)OC 62a_100000719902_100009879195 [0,1,0,0,0,1|2,0,0]=4 1575 B13R1.91 COc1ncncc1SC(C)OC 62a_100009879195_100000719902 [0,1,0,0,0,1|2,0,0]=4 1576 B13R1.91 COc1ncncc1S[C@H](C)CO 62a_100000719902_100016084084 [0,1,0,0,0,1|2,0,0]=4 1577 B13R1.91 COc1ncncc1S[C@H](C)CO 62a_100016084084_100000719902 [0,1,0,0,0,1|2,0,0]=4 1578 B13R1.91 CSc1ncccc1SC(C)CO 62a_100012180447_100011465278 [0,1,0,0,0,1|1,1,0]=4 1579 B13R1.91 CSc1ncccc1S[C@H](C)CO 62a_100011465278_100016084084 [0,1,0,0,0,1|1,1,0]=4 1580 B13R1.91 CSc1ncccc1S[C@H](C)CO 62a_100016084084_100011465278 [0,1,0,0,0,1|1,1,0]=4 1581 B13R1.91 C[C@H](CF)Nc1nccnc1C#N 27a_100102880703_100000040484 [0,1,0,0,0,1|2,0,0]=4 1582 B13R1.91 C[C@H](CO)Nc1nccnc1C#N 27a_100000737577_100000040484 [0,1,0,0,0,1|2,0,0]=4 1583 B13R1.91 C[C@H](CO)Sc1nccnc1C#N 62a_100016084084_100000040484 [0,1,0,0,0,1|2,0,0]=4 1584 B13R1.91 C[C@H](CO)Sc1nccnc1C=O 62a_100000051000_100016084084 [0,1,0,0,0,1|2,0,0]=4 1585 B13R1.91 C[C@H](CO)Sc1nccnc1C=O 62a_100016084084_100000051000 [0,1,0,0,0,1|2,0,0]=4 1586 B13R1.91 C[C@H](CO)Sc1nccnc1CN 62a_100000729963_100016084084 [0,1,0,0,0,1|2,0,0]=4 1587 B13R1.91 C[C@H](CO)Sc1nccnc1CN 62a_100016084084_100000729963 [0,1,0,0,0,1|2,0,0]=4 1588 B13R1.91 C[C@H](CO)Sc1nccnc1CO 62a_100000057004_100016084084 [0,1,0,0,0,1|2,0,0]=4 1589 B13R1.91 C[C@H](CO)Sc1nccnc1CO 62a_100016084084_100000057004 [0,1,0,0,0,1|2,0,0]=4 1590 B13R1.91 C[C@H](CO)Sc1nccnc1NN 62a_100016084084_100000755098 [0,1,0,0,0,1|2,0,0]=4 1591 B13R1.115 COc1c(cccc1NC(C)C)Br 34a_100011935253_100000210206 [0,1,0,0,0,1|2,0,0]=4 1592 B13R1.115 COc1c(cccc1NC(C)C)C 34a_100012017360_100000210206 [0,1,0,0,0,1|2,0,0]=4 1593 B13R1.115 COc1c(cccc1NC(C)C)Cl 2230a_100000743799_100000210206 [0,1,0,0,0,1|2,0,0]=4 1594 B13R1.115 COc1c(cccc1NC(C)C)Cl 34a_100000743799_100000210206 [0,1,0,0,0,1|2,0,0]=4 1595 B13R1.115 COc1c(cccc1NC(C)C)F 34a_100011215007_100000210206 [0,1,0,0,0,1|2,0,0]=4 1596 B13R1.115 COc1c(cccc1OC(C)C)Br 34a_100010234590_100000210206 [0,1,0,0,0,1|2,0,0]=4 1597 B13R1.115 COc1c(cccc1OC(C)C)Cl 34a_200009886253_100000210206 [0,1,0,0,0,1|2,0,0]=4 1598 B13R1.115 COc1c(cccc1OC(C)C)Cl 7a_200009886253_100000210206 [0,1,0,0,0,1|2,0,0]=4 1599 B13R1.115 COc1c(cccc1SC(C)C)Br 62a_100000210206_100010146560 [0,1,0,0,0,1|2,0,0]=4 1600 B13R1.115 COc1c(cccc1SC(C)C)Br 62a_100010146560_100000210206 [0,1,0,0,0,1|2,0,0]=4 1601 B13R1.115 COc1c(cccc1SC(C)C)C 62a_100000210206_100010141385 [0,1,0,0,0,1|2,0,0]=4 1602 B13R1.115 COc1c(cccc1SC(C)C)C 62a_100010141385_100000210206 [0,1,0,0,0,1|2,0,0]=4 1603 B13R1.115 COc1c(cccc1SC(C)C)Cl 62a_100000210206_100010147678 [0,1,0,0,0,1|2,0,0]=4 1604 B13R1.115 COc1c(cccc1SC(C)C)Cl 62a_100010147678_100000210206 [0,1,0,0,0,1|2,0,0]=4 1605 B13R1.115 COc1c(cccc1SC(C)C)F 62a_100000210206_100009816759 [0,1,0,0,0,1|2,0,0]=4 1606 B13R1.115 COc1c(cccc1SC(C)C)F 62a_100009816759_100000210206 [0,1,0,0,0,1|2,0,0]=4 1607 B13R1.115 COc1c(cccc1SC(C)C)N 62a_100011935253_100000210206 [0,1,0,0,0,1|2,0,0]=4 1608 B13R1.115 COc1c(cccc1SC(C)C)O 62a_100000210206_100010234590 [0,1,0,0,0,1|2,0,0]=4 1609 B13R1.115 COc1c(ccnc1C=C(C)C)N 271570a_100102525489_100000104429 [0,1,0,0,0,1|1,0,1]=4 1610 B13R1.115 COc1c(ccnc1C=C(C)C)O 271570a_100102525489_100000104430 [0,1,0,0,0,1|1,0,1]=4 1611 B13R1.115 COc1c(ccnc1CN(C)C)Cl 2230a_100102631434_100015371371 [0,1,0,0,0,1|2,0,0]=4 1612 B13R1.115 COc1c(ccnc1SC(C)C)N 62a_100000104429_100000210206 [0,1,0,0,0,1|1,0,0]=3 1613 B13R1.115 COc1c(ccnc1SC(C)C)N 62a_100000210206_100000104429 [0,1,0,0,0,1|1,0,0]=3 1614 B13R1.115 COc1c(ccnc1SC(C)C)O 62a_100000210206_100000104430 [0,1,0,0,0,1|1,0,0]=3 1615 B13R1.115 COc1c(ncnc1NC(C)C)N 27a_100138425928_100011998528 [0,1,0,0,0,1|2,0,0]=4 1616 B13R1.115 COc1c(ncnc1SC(C)C)N 62a_100000210206_100011998528 [0,1,0,0,0,1|2,0,0]=4 1617 B13R1.115 COc1c(ncnc1SC(C)C)N 62a_100011998528_100000210206 [0,1,0,0,0,1|2,0,0]=4 1618 B13R1.380 CC(C)Oc1ccccc1CO[13CH3] 34a_100000708705_200025704644 [0,1,0,0,0,1|2,0,0]=4 1619 B13R1.380 CC(C)Oc1ccccc1CO[13CH3] 7a_100000708705_200025704644 [0,1,0,0,0,1|2,0,0]=4 1620 B13R1.380 CC(C)Oc1ccccc1OCF 34a_100011218612_100015361967 [0,1,0,0,0,1|2,0,0]=4 1621 B13R1.380 CC(C)Oc1ccccc1OCF 7a_100011218612_100015361967 [0,1,0,0,0,1|2,0,0]=4 1622 B13R1.380 CC(C)Oc1ncccc1CN[13CH3] 2230a_100000740383_200025704644 [0,1,0,0,0,1|2,0,0]=4 1623 B13R1.380 CC(C)Oc1ncccc1SCF 62a_100015361967_200011465186 [0,1,0,0,0,1|1,1,0]=4 1624 B13R1.380 CC(C)Oc1ncccc1SCF 62a_200011465186_100015361967 [0,1,0,0,0,1|1,1,0]=4 1625 B13R1.380 CC=Cc1cccnc1OC(C)C 271570a_100016259895_200011465186 [0,1,0,0,0,1|2,0,0]=4 1626 B13R1.380 CCOc1ccccc1NC(C)C 34a_100000211218_100000210206 [0,1,0,0,0,1|2,0,0]=4 1627 B13R1.380 CCOc1ccccc1OC(C)C 34a_100000211404_100000210206 [0,1,0,0,0,1|2,0,0]=4 1628 B13R1.380 CCOc1ccccc1OC(C)C 34a_100011218612_100000210202 [0,1,0,0,0,1|2,0,0]=4 1629 B13R1.380 CCOc1ccccc1OC(C)C 7a_100000211404_100000210206 [0,1,0,0,0,1|2,0,0]=4 1630 B13R1.380 CCOc1ccccc1OC(C)C 7a_100011218612_100000210202 [0,1,0,0,0,1|2,0,0]=4 1631 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000210206_100000230754 [0,1,0,0,0,1|2,0,0]=4 1632 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000230754_100000210206 [0,1,0,0,0,1|2,0,0]=4 1633 B13R1.380 CCOc1cccnc1C=C(C)C 271570a_100102525489_100011597540 [0,1,0,0,0,1|1,0,1]=4 1634 B13R1.380 CCOc1cccnc1CN(C)C 270004a_100102631434_100009876934 [0,1,0,0,0,1|2,0,0]=4 1635 B13R1.380 CCOc1cccnc1SC(C)C 62a_100000210206_100011597540 [0,1,0,0,0,1|1,0,0]=3 1636 B13R1.380 CCOc1cccnc1SC(C)C 62a_100011597540_100000210206 [0,1,0,0,0,1|1,0,0]=3 1637 B13R1.380 CCOc1ncccc1C=C(C)C 271570a_100102525489_100011465154 [0,1,0,0,0,1|1,0,1]=4 1638 B13R1.380 CCOc1ncccc1CN(C)C 270004a_100102631434_100011290805 [0,1,0,0,0,1|2,0,0]=4 1639 B13R1.380 CCOc1ncccc1OC(C)C 34a_100011998697_100000210206 [0,1,0,0,0,1|1,0,0]=3 1640 B13R1.380 CCOc1ncccc1SC(C)C 62a_100000210206_100011465154 [0,1,0,0,0,1|1,0,0]=3 1641 B13R1.380 CCOc1ncccc1SC(C)C 62a_100011465154_100000210206 [0,1,0,0,0,1|1,0,0]=3 1642 B13R1.380 CCOc1nccnc1C=C(C)C 271570a_100102525489_200010128176 [0,1,0,0,0,1|0,0,1]=3 1643 B13R1.380 CCOc1nccnc1NC(C)C 27a_100138425928_200010128176 [0,1,0,0,0,1|0,0,0]=2 1644 B13R1.380 CCOc1nccnc1SC(C)C 62a_100000210206_200010128176 [0,1,0,0,0,1|0,0,0]=2 1645 B13R1.380 CCOc1nccnc1SC(C)C 62a_200010128176_100000210206 [0,1,0,0,0,1|0,0,0]=2 1646 B13R1.380 CCSc1cccnc1OC(C)C 62a_100000210202_200011465186 [0,1,0,0,0,1|1,1,0]=4 1647 B13R1.380 CCSc1cccnc1OC(C)C 62a_200011465186_100000210202 [0,1,0,0,0,1|1,1,0]=4 1648 B13R1.380 CNCc1cccnc1OC(C)C 207a_100102657272_100011290806 [0,1,0,0,0,1|2,0,0]=4 1649 B13R1.380 CNCc1cccnc1OC(C)C 2230a_100000740383_200000210301 [0,1,0,0,0,1|2,0,0]=4 1650 B13R1.380 CNCc1cccnc1OC(C)C 270004a_106832991635_100011290806 [0,1,0,0,0,1|2,0,0]=4 1651 B13R1.380 CNCc1cccnc1SC(C)C 62a_100000210206_103496529121 [0,1,0,0,0,1|2,0,0]=4 1652 B13R1.380 CNCc1cccnc1SC(C)C 62a_103496529121_100000210206 [0,1,0,0,0,1|2,0,0]=4 1653 B13R1.380 COCc1ccccc1OC(C)C 34a_100000708705_200000210301 [0,1,0,0,0,1|2,0,0]=4 1654 B13R1.380 COCc1ccccc1OC(C)C 34a_100011488565_100000210206 [0,1,0,0,0,1|2,0,0]=4 1655 B13R1.380 COCc1ccccc1OC(C)C 7a_100000708705_200000210301 [0,1,0,0,0,1|2,0,0]=4 1656 B13R1.380 COCc1ccccc1OC(C)C 7a_100011488565_100000210206 [0,1,0,0,0,1|2,0,0]=4 1657 B13R1.380 COCc1ccccc1SC(C)C 62a_100000210206_100011493684 [0,1,0,0,0,1|2,0,0]=4 1658 B13R1.380 COCc1ccccc1SC(C)C 62a_100011493684_100000210206 [0,1,0,0,0,1|2,0,0]=4 1659 B13R1.589 C=C(C)c1cccnc1OC(C)C 271570a_100000694244_200011465186 [0,1,0,0,0,1|2,0,0]=4 1660 B13R1.589 CC(=Cc1nccnc1N(C)C)C 271570a_100102525489_100000703087 [0,1,0,0,0,1|1,0,1]=4 1661 B13R1.589 CC(=O)c1cccnc1NC(C)C 27a_100138425928_100009816689 [0,1,0,0,0,1|2,0,0]=4 1662 B13R1.589 CC(=O)c1cccnc1SC(C)C 62a_100000210206_100000753718 [0,1,0,0,0,1|2,0,0]=4 1663 B13R1.589 CC(=O)c1cccnc1SC(C)C 62a_100000753718_100000210206 [0,1,0,0,0,1|2,0,0]=4 1664 B13R1.589 CC(=O)c1ncccc1OC(C)C 34a_100000087166_100000210206 [0,1,0,0,0,1|2,0,0]=4 1665 B13R1.589 CC(=O)c1ncccc1OC(C)C 7a_100000087166_100000210206 [0,1,0,0,0,1|2,0,0]=4 1666 B13R1.589 CC(=O)c1ncccc1SC(C)C 62a_100000210206_100012348690 [0,1,0,0,0,1|2,0,0]=4 1667 B13R1.589 CC(=O)c1ncccc1SC(C)C 62a_100012348690_100000210206 [0,1,0,0,0,1|2,0,0]=4 1668 B13R1.589 CC(=O)c1nccnc1C=C(C)C 271570a_100102525489_100000099859 [0,1,0,0,0,1|1,0,1]=4 1669 B13R1.589 CC(=O)c1nccnc1NC(C)C 27a_100138425928_100000099859 [0,1,0,0,0,1|1,0,0]=3 1670 B13R1.589 CC(=O)c1nccnc1SC(C)C 62a_100000099859_100000210206 [0,1,0,0,0,1|1,0,0]=3 1671 B13R1.589 CC(=O)c1nccnc1SC(C)C 62a_100000210206_100000099859 [0,1,0,0,0,1|1,0,0]=3 1672 B13R1.589 CC(C)Nc1nccnc1C(=O)N 27a_100138425928_100000094861 [0,1,0,0,0,1|2,0,0]=4 1673 B13R1.589 CC(C)Nc1nccnc1N(C)C 27a_100138425928_100000703087 [0,1,0,0,0,1|1,0,0]=3 1674 B13R1.589 CC(C)Oc1cccnc1C(C)C 34a_100012183336_100000210206 [0,1,0,0,0,1|2,0,0]=4 1675 B13R1.589 CC(C)Oc1cccnc1C(C)C 7a_100012183336_100000210206 [0,1,0,0,0,1|2,0,0]=4 1676 B13R1.589 CC(C)Oc1nccnc1C(=O)N 34a_100011830332_100000210206 [0,1,0,0,0,1|2,0,0]=4 1677 B13R1.589 CC(C)Sc1cccnc1C(C)N 62a_100000210206_100159271932 [0,1,0,0,0,1|2,0,0]=4 1678 B13R1.589 CC(C)Sc1cccnc1C(C)N 62a_100159271932_100000210206 [0,1,0,0,0,1|2,0,0]=4 1679 B13R1.589 CC(C)Sc1cccnc1N(C)C 62a_100000210206_100011465059 [0,1,0,0,0,1|2,0,0]=4 1680 B13R1.589 CC(C)Sc1cccnc1N(C)C 62a_100011465059_100000210206 [0,1,0,0,0,1|2,0,0]=4 1681 B13R1.589 CC(C)Sc1cccnc1[C@H](C)O 62a_100000210206_100013325542 [0,1,0,0,0,1|2,0,0]=4 1682 B13R1.589 CC(C)Sc1cccnc1[C@H](C)O 62a_100013325542_100000210206 [0,1,0,0,0,1|2,0,0]=4 1683 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_100000210206_200010382935 [0,1,0,0,0,1|2,0,0]=4 1684 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_200010382935_100000210206 [0,1,0,0,0,1|2,0,0]=4 1685 B13R1.589 CC(C)Sc1ncccc1C(C)O 62a_100000210206_100009865335 [0,1,0,0,0,1|2,0,0]=4 1686 B13R1.589 CC(C)Sc1ncccc1C(C)O 62a_100009865335_100000210206 [0,1,0,0,0,1|2,0,0]=4 1687 B13R1.589 CC(C)Sc1nccnc1C(=O)N 62a_100000094861_100000210206 [0,1,0,0,0,1|2,0,0]=4 1688 B13R1.589 CC(C)Sc1nccnc1C(=O)N 62a_100000210206_100000094861 [0,1,0,0,0,1|2,0,0]=4 1689 B13R1.589 CC(C)Sc1nccnc1N(C)C 62a_100000210206_100000703087 [0,1,0,0,0,1|1,0,0]=3 1690 B13R1.622 CC(C)(C)Oc1ncccc1S[13CH3] 62a_100011465193_200025704644 [0,1,0,0,0,1|1,1,0]=4 1691 B13R1.622 CC(C)(C)Oc1ncccc1S[13CH3] 62a_200025704644_100011465193 [0,1,0,0,0,1|1,1,0]=4 1692 B13R1.622 CC(C)(C)Sc1nccnc1C#N 62a_100000211941_100000040484 [0,1,0,0,0,1|2,0,0]=4 1693 B13R1.622 CC(C)(C)Sc1nccnc1C=O 62a_100000051000_100000211941 [0,1,0,0,0,1|2,0,0]=4 1694 B13R1.622 CC(C)(C)Sc1nccnc1C=O 62a_100000211941_100000051000 [0,1,0,0,0,1|2,0,0]=4 1695 B13R1.622 CC(C)(C)Sc1nccnc1CN 62a_100000211941_100000729963 [0,1,0,0,0,1|2,0,0]=4 1696 B13R1.622 CC(C)(C)Sc1nccnc1CN 62a_100000729963_100000211941 [0,1,0,0,0,1|2,0,0]=4 1697 B13R1.622 CC(C)(C)Sc1nccnc1CO 62a_100000057004_100000211941 [0,1,0,0,0,1|2,0,0]=4 1698 B13R1.622 CC(C)(C)Sc1nccnc1CO 62a_100000211941_100000057004 [0,1,0,0,0,1|2,0,0]=4 1699 B13R1.622 CC(C)(C)Sc1nccnc1NN 62a_100000211941_100000755098 [0,1,0,0,0,1|2,0,0]=4 1700 B13R1.622 CCc1ncccc1SC(C)(C)C 62a_100000211941_100009877225 [0,1,0,0,0,1|2,0,0]=4 1701 B13R1.622 CCc1ncccc1SC(C)(C)C 62a_100009877225_100000211941 [0,1,0,0,0,1|2,0,0]=4 1702 B13R1.622 CCc1nccnc1SC(C)(C)C 62a_100000211941_100011995844 [0,1,0,0,0,1|1,0,0]=3 1703 B13R1.622 CCc1nccnc1SC(C)(C)C 62a_100011995844_100000211941 [0,1,0,0,0,1|1,0,0]=3 1704 B13R1.622 CNc1cccnc1SC(C)(C)C 62a_100000211941_200011806188 [0,1,0,0,0,1|2,0,0]=4 1705 B13R1.622 CNc1ncccc1SC(C)(C)C 62a_100000211941_100000700899 [0,1,0,0,0,1|2,0,0]=4 1706 B13R1.622 CNc1ncccc1SC(C)(C)C 62a_100000700899_100000211941 [0,1,0,0,0,1|2,0,0]=4 1707 B13R1.622 CNc1nccnc1SC(C)(C)C 62a_100000211941_100011529439 [0,1,0,0,0,1|1,0,0]=3 1708 B13R1.622 COc1ccccc1NC(C)(C)C 34a_100000210025_100000210625 [0,1,0,0,0,1|2,0,0]=4 1709 B13R1.622 COc1ccccc1OC(C)(C)C 34a_100000210385_100000210625 [0,1,0,0,0,1|2,0,0]=4 1710 B13R1.622 COc1ccccc1SC(C)(C)C 62a_100000210334_100000211941 [0,1,0,0,0,1|2,0,0]=4 1711 B13R1.622 COc1ccccc1SC(C)(C)C 62a_100000211941_100000210334 [0,1,0,0,0,1|2,0,0]=4 1712 B13R1.622 COc1cccnc1OC(C)(C)C 34a_100025773188_100000210625 [0,1,0,0,0,1|1,0,0]=3 1713 B13R1.622 COc1cccnc1SC(C)(C)C 62a_100000211941_100000690851 [0,1,0,0,0,1|1,0,0]=3 1714 B13R1.622 COc1cccnc1SC(C)(C)C 62a_100000767102_100000211941 [0,1,0,0,0,1|1,0,0]=3 1715 B13R1.622 COc1cncnc1SC(C)(C)C 62a_100000211941_100012001275 [0,1,0,0,0,1|2,0,0]=4 1716 B13R1.622 COc1cncnc1SC(C)(C)C 62a_100012001275_100000211941 [0,1,0,0,0,1|2,0,0]=4 1717 B13R1.622 COc1ncccc1OC(C)(C)C 34a_100000698397_100000210625 [0,1,0,0,0,1|1,0,0]=3 1718 B13R1.622 COc1ncccc1SC(C)(C)C 62a_100000047025_100000211941 [0,1,0,0,0,1|1,0,0]=3 1719 B13R1.622 COc1ncccc1SC(C)(C)C 62a_100000211941_100000047025 [0,1,0,0,0,1|1,0,0]=3 1720 B13R1.622 COc1nccnc1SC(C)(C)C 62a_100000211941_100000749998 [0,1,0,0,0,1|0,0,0]=2 1721 B13R1.622 COc1nccnc1SC(C)(C)C 62a_100009858322_100000211941 [0,1,0,0,0,1|0,0,0]=2 1722 B13R1.622 COc1nccnc1SC(F)(F)F 62a_100009858322_200103152311 [0,1,0,0,0,1|2,0,0]=4 1723 B13R1.622 COc1nccnc1SC(F)(F)F 62a_200000243211_100000749998 [0,1,0,0,0,1|2,0,0]=4 1724 B13R1.622 COc1ncncc1SC(C)(C)C 62a_100000211941_100000719902 [0,1,0,0,0,1|2,0,0]=4 1725 B13R1.622 COc1ncncc1SC(C)(C)C 62a_100000719902_100000211941 [0,1,0,0,0,1|2,0,0]=4 1726 B13R1.622 CSc1cccnc1OC(C)(C)C 62a_100011465193_200000210301 [0,1,0,0,0,1|1,1,0]=4 1727 B13R1.622 CSc1cccnc1OC(C)(C)C 62a_200000210301_100011465193 [0,1,0,0,0,1|1,1,0]=4 1728 B13R1.622 CSc1ncccc1SC(C)(C)C 62a_100000211941_100011465278 [0,1,0,0,0,1|1,1,0]=4 1729 B13R1.622 CSc1ncccc1SC(C)(C)C 62a_100011465278_100000211941 [0,1,0,0,0,1|1,1,0]=4 1730 B13R1.2135 COc1cccc(c1NC(C)C)Br 34a_100000708083_100000210206 [0,1,0,0,0,1|2,0,0]=4 1731 B13R1.2135 COc1cccc(c1NC(C)C)C 2230a_100000758225_100000210206 [0,1,0,0,0,1|2,0,0]=4 1732 B13R1.2135 COc1cccc(c1NC(C)C)C 34a_100000758225_100000210206 [0,1,0,0,0,1|2,0,0]=4 1733 B13R1.2135 COc1cccc(c1NC(C)C)Cl 34a_100011309317_100000210206 [0,1,0,0,0,1|2,0,0]=4 1734 B13R1.2135 COc1cccc(c1NC(C)C)F 34a_100000686744_100000210206 [0,1,0,0,0,1|2,0,0]=4 1735 B13R1.2135 COc1cccc(c1NC(C)C)O 34a_100012022766_100000210206 [0,1,0,0,0,1|2,0,0]=4 1736 B13R1.2135 COc1cccc(c1OC(C)C)Br 34a_100000686866_100000210206 [0,1,0,0,0,1|2,0,0]=4 1737 B13R1.2135 COc1cccc(c1OC(C)C)C 34a_100011219253_100000210206 [0,1,0,0,0,1|2,0,0]=4 1738 B13R1.2135 COc1cccc(c1OC(C)C)C 7a_100011219253_100000210206 [0,1,0,0,0,1|2,0,0]=4 1739 B13R1.2135 COc1cccc(c1OC(C)C)Cl 34a_100009851661_100000210206 [0,1,0,0,0,1|2,0,0]=4 1740 B13R1.2135 COc1cccc(c1OC(C)C)Cl 7a_100009851661_100000210206 [0,1,0,0,0,1|2,0,0]=4 1741 B13R1.2135 COc1cccc(c1OC(C)C)F 34a_100000036725_100000210206 [0,1,0,0,0,1|2,0,0]=4 1742 B13R1.2135 COc1cccc(c1OC(C)C)F 7a_100000036725_100000210206 [0,1,0,0,0,1|2,0,0]=4 1743 B13R1.2135 COc1cccc(c1OC(C)C)N 34a_100000123586_100000210206 [0,1,0,0,0,1|2,0,0]=4 1744 B13R1.2135 COc1cccc(c1SC(C)C)Br 62a_100000210206_100010131421 [0,1,0,0,0,1|2,0,0]=4 1745 B13R1.2135 COc1cccc(c1SC(C)C)Br 62a_100010131421_100000210206 [0,1,0,0,0,1|2,0,0]=4 1746 B13R1.2135 COc1cccc(c1SC(C)C)C 62a_100000210206_100010191535 [0,1,0,0,0,1|2,0,0]=4 1747 B13R1.2135 COc1cccc(c1SC(C)C)C 62a_100010191535_100000210206 [0,1,0,0,0,1|2,0,0]=4 1748 B13R1.2135 COc1cccc(c1SC(C)C)F 62a_100000210206_100000703912 [0,1,0,0,0,1|2,0,0]=4 1749 B13R1.2135 COc1cccc(c1SC(C)C)F 62a_100000703912_100000210206 [0,1,0,0,0,1|2,0,0]=4 1750 B13R1.2135 COc1cccc(c1SC(C)C)N 62a_100000210206_100000703447 [0,1,0,0,0,1|2,0,0]=4 1751 B13R1.2135 COc1cccc(c1SC(C)C)N 62a_100000703447_100000210206 [0,1,0,0,0,1|2,0,0]=4 1752 B13R1.2135 COc1cccc(c1SC(C)C)O 62a_100000210206_100010202623 [0,1,0,0,0,1|2,0,0]=4 1753 B13R1.2135 COc1nccc(c1C=C(C)C)C 271570a_100102525489_100012353928 [0,1,0,0,0,1|1,0,1]=4 1754 B13R1.2135 COc1nccc(c1C=C(C)C)N 271570a_100102525489_100010243811 [0,1,0,0,0,1|1,0,1]=4 1755 B13R1.2135 COc1nccc(c1CN(C)C)Cl 270004a_100102631434_100009849443 [0,1,0,0,0,1|2,0,0]=4 1756 B13R1.2135 COc1nccc(c1SC(C)C)C 62a_100000210206_100012353928 [0,1,0,0,0,1|1,0,0]=3 1757 B13R1.2135 COc1nccc(c1SC(C)C)C 62a_100012353928_100000210206 [0,1,0,0,0,1|1,0,0]=3 1758 B13R1.2135 COc1nccc(c1SC(C)C)N 62a_100000210206_100010243811 [0,1,0,0,0,1|1,0,0]=3 1759 B13R1.2135 COc1nccc(c1SC(C)C)N 62a_100010243811_100000210206 [0,1,0,0,0,1|1,0,0]=3 1760 B13R1.2135 COc1ncnc(c1SC(C)C)C 62a_100000210206_100010110394 [0,1,0,0,0,1|2,0,0]=4 1761 B13R1.2135 COc1ncnc(c1SC(C)C)C 62a_100010110394_100000210206 [0,1,0,0,0,1|2,0,0]=4 1762 B13R1.3089 CC(C)Nc1nc(cnc1C#N)N 27a_100138425928_100000099870 [0,1,0,0,0,1|2,0,0]=4 1763 B13R1.3089 CC(C)Sc1nc(cnc1C#N)N 62a_100000210206_100000099870 [0,1,0,0,0,1|2,0,0]=4 1764 B13R1.3089 CCc1ncc(cc1SC(C)C)N 62a_100000210206_100013085292 [0,1,0,0,0,1|2,0,0]=4 1765 B13R1.3089 CCc1ncc(cc1SC(C)C)N 62a_100013085292_100000210206 [0,1,0,0,0,1|2,0,0]=4 1766 B13R1.3089 COc1ccc(cc1NC(C)C)Br 34a_100000743470_100000210206 [0,1,0,0,0,1|2,0,0]=4 1767 B13R1.3089 COc1ccc(cc1NC(C)C)C 2230a_100000210980_100000210206 [0,1,0,0,0,1|2,0,0]=4 1768 B13R1.3089 COc1ccc(cc1NC(C)C)C 34a_100000210980_100000210206 [0,1,0,0,0,1|2,0,0]=4 1769 B13R1.3089 COc1ccc(cc1NC(C)C)Cl 34a_100000182114_100000210206 [0,1,0,0,0,1|2,0,0]=4 1770 B13R1.3089 COc1ccc(cc1NC(C)C)F 34a_100000757179_100000210206 [0,1,0,0,0,1|2,0,0]=4 1771 B13R1.3089 COc1ccc(cc1OC(C)C)Br 34a_100009816560_100000210206 [0,1,0,0,0,1|2,0,0]=4 1772 B13R1.3089 COc1ccc(cc1OC(C)C)Br 7a_100009816560_100000210206 [0,1,0,0,0,1|2,0,0]=4 1773 B13R1.3089 COc1ccc(cc1OC(C)C)C 34a_100011216497_100000210206 [0,1,0,0,0,1|2,0,0]=4 1774 B13R1.3089 COc1ccc(cc1OC(C)C)C 7a_100011216497_100000210206 [0,1,0,0,0,1|2,0,0]=4 1775 B13R1.3089 COc1ccc(cc1OC(C)C)Cl 34a_100000101779_100000210206 [0,1,0,0,0,1|2,0,0]=4 1776 B13R1.3089 COc1ccc(cc1OC(C)C)Cl 7a_100000101779_100000210206 [0,1,0,0,0,1|2,0,0]=4 1777 B13R1.3089 COc1ccc(cc1OC(C)C)F 34a_100000034962_100000210206 [0,1,0,0,0,1|2,0,0]=4 1778 B13R1.3089 COc1ccc(cc1OC(C)C)F 7a_100000034962_100000210206 [0,1,0,0,0,1|2,0,0]=4 1779 B13R1.3089 COc1ccc(cc1OC(C)C)N 34a_100000211920_100000210206 [0,1,0,0,0,1|2,0,0]=4 1780 B13R1.3089 COc1ccc(cc1OC(C)C)O 271570a_203496583355_200010232110 [0,1,0,0,0,1|2,0,0]=4 1781 B13R1.3089 COc1ccc(cc1SC(C)C)Br 62a_100000210206_100012351588 [0,1,0,0,0,1|2,0,0]=4 1782 B13R1.3089 COc1ccc(cc1SC(C)C)Br 62a_100012351588_100000210206 [0,1,0,0,0,1|2,0,0]=4 1783 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000186399_100000210206 [0,1,0,0,0,1|2,0,0]=4 1784 B13R1.3089 COc1ccc(cc1SC(C)C)C 62a_100000210206_100000186399 [0,1,0,0,0,1|2,0,0]=4 1785 B13R1.3089 COc1ccc(cc1SC(C)C)Cl 62a_100000210206_100011215930 [0,1,0,0,0,1|2,0,0]=4 1786 B13R1.3089 COc1ccc(cc1SC(C)C)Cl 62a_100011215930_100000210206 [0,1,0,0,0,1|2,0,0]=4 1787 B13R1.3089 COc1ccc(cc1SC(C)C)F 62a_100000171694_100000210206 [0,1,0,0,0,1|2,0,0]=4 1788 B13R1.3089 COc1ccc(cc1SC(C)C)F 62a_100000210206_100000171694 [0,1,0,0,0,1|2,0,0]=4 1789 B13R1.3089 COc1ccc(cc1SC(C)C)N 62a_100000210206_100011356947 [0,1,0,0,0,1|2,0,0]=4 1790 B13R1.3089 COc1ccc(cc1SC(C)C)N 62a_100011356947_100000210206 [0,1,0,0,0,1|2,0,0]=4 1791 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100000210206_100010234764 [0,1,0,0,0,1|2,0,0]=4 1792 B13R1.3089 COc1ccc(cc1SC(C)C)O 62a_100010234764_100000210206 [0,1,0,0,0,1|2,0,0]=4 1793 B13R1.3089 COc1ccc(nc1C=C(C)C)C 271570a_100102525489_100009820875 [0,1,0,0,0,1|1,0,1]=4 1794 B13R1.3089 COc1ccc(nc1C=C(C)C)N 271570a_100102525489_100010172607 [0,1,0,0,0,1|1,0,1]=4 1795 B13R1.3089 COc1ccc(nc1CN(C)C)Br 270004a_100102631434_200010137984 [0,1,0,0,0,1|2,0,0]=4 1796 B13R1.3089 COc1ccc(nc1SC(C)C)C 62a_100000210206_100009820875 [0,1,0,0,0,1|1,0,0]=3 1797 B13R1.3089 COc1ccc(nc1SC(C)C)C 62a_100009820875_100000210206 [0,1,0,0,0,1|1,0,0]=3 1798 B13R1.3089 COc1ccc(nc1SC(C)C)N 62a_100000210206_100010172607 [0,1,0,0,0,1|1,0,0]=3 1799 B13R1.3089 COc1ccc(nc1SC(C)C)N 62a_100010172607_100000210206 [0,1,0,0,0,1|1,0,0]=3 1800 B13R1.3089 COc1ncc(cc1C=C(C)C)Br 271570a_100102525489_100009814608 [0,1,0,0,0,1|1,0,1]=4 1801 B13R1.3089 COc1ncc(cc1C=C(C)C)C 271570a_100102525489_100012353929 [0,1,0,0,0,1|1,0,1]=4 1802 B13R1.3089 COc1ncc(cc1C=C(C)C)F 271570a_100102525489_100009828472 [0,1,0,0,0,1|1,0,1]=4 1803 B13R1.3089 COc1ncc(cc1C=C(C)C)N 271570a_100102525489_100012351452 [0,1,0,0,0,1|1,0,1]=4 1804 B13R1.3089 COc1ncc(cc1CN(C)C)Br 2230a_100102631434_100010065838 [0,1,0,0,0,1|2,0,0]=4 1805 B13R1.3089 COc1ncc(cc1CN(C)C)Br 269982a_100102631434_100010065838 [0,1,0,0,0,1|2,0,0]=4 1806 B13R1.3089 COc1ncc(cc1CN(C)C)Br 270004a_100102631434_100009814609 [0,1,0,0,0,1|2,0,0]=4 1807 B13R1.3089 COc1ncc(cc1CN(C)C)C 270004a_100102631434_100000118322 [0,1,0,0,0,1|2,0,0]=4 1808 B13R1.3089 COc1ncc(cc1CN(C)C)F 270004a_100102631434_100000081817 [0,1,0,0,0,1|2,0,0]=4 1809 B13R1.3089 COc1ncc(cc1OC(C)C)Br 34a_100010135713_100000210206 [0,1,0,0,0,1|1,0,0]=3 1810 B13R1.3089 COc1ncc(cc1SC(C)C)Br 62a_100000210206_100009814608 [0,1,0,0,0,1|1,0,0]=3 1811 B13R1.3089 COc1ncc(cc1SC(C)C)Br 62a_100009814608_100000210206 [0,1,0,0,0,1|1,0,0]=3 1812 B13R1.3089 COc1ncc(cc1SC(C)C)C 62a_100000210206_100012353929 [0,1,0,0,0,1|1,0,0]=3 1813 B13R1.3089 COc1ncc(cc1SC(C)C)C 62a_100012353929_100000210206 [0,1,0,0,0,1|1,0,0]=3 1814 B13R1.3089 COc1ncc(cc1SC(C)C)F 62a_100000210206_100009828472 [0,1,0,0,0,1|1,0,0]=3 1815 B13R1.3089 COc1ncc(cc1SC(C)C)F 62a_100009828472_100000210206 [0,1,0,0,0,1|1,0,0]=3 1816 B13R1.3089 COc1ncc(cc1SC(C)C)N 62a_100000210206_100012351452 [0,1,0,0,0,1|1,0,0]=3 1817 B13R1.3089 COc1ncc(cc1SC(C)C)N 62a_100012351452_100000210206 [0,1,0,0,0,1|1,0,0]=3 1818 B13R1.3089 COc1nnc(cc1SC(C)C)Cl 62a_100000210206_100000725446 [0,1,0,0,0,1|2,0,0]=4 1819 B13R1.3089 COc1nnc(cc1SC(C)C)Cl 62a_100000725446_100000210206 [0,1,0,0,0,1|2,0,0]=4 1820 B13R1.2260 CC(C)c1cccc(=O)c(c1)O[13CH3] 34a_100000031672_200025704644 [0,1,0,0,0,1|2,0,0]=4 1821 B13R1.2260 CC(C)c1cccc(=O)c(c1)O[13CH3] 7a_100000031672_200025704644 [0,1,0,0,0,1|2,0,0]=4 1822 B13R1.2260 COc1cc(cccc1=O)C(C)C 34a_100000031672_200000210301 [0,1,0,0,0,1|2,0,0]=4 1823 B13R1.2260 COc1cc(cccc1=O)C(C)C 7a_100000031672_200000210301 [0,1,0,0,0,1|2,0,0]=4 1824 B13R1.141 CC(C)c1cc(ccc1OCF)Br 34a_100000691460_100015361967 [0,2,0,0,0,0|2,0,0]=4 1825 B13R1.141 CC(C)c1cc(ccc1OCF)Br 7a_100000691460_100015361967 [0,2,0,0,0,0|2,0,0]=4 1826 B13R1.141 CCOc1ccc(cc1C(C)C)Br 34a_100000691460_100000210202 [0,2,0,0,0,0|2,0,0]=4 1827 B13R1.141 CCOc1ccc(cc1C(C)C)Br 7a_100000691460_100000210202 [0,2,0,0,0,0|2,0,0]=4 1828 B13R1.165 C=C(C)c1nc(cnc1C(C)C)C 271570a_100000694244_100015629263 [0,2,0,0,0,0|1,0,0]=3 1829 B13R1.165 Cc1cnc(c(n1)N(C)C)C(C)C 27a_100102631434_100015629263 [0,2,0,0,0,0|1,0,0]=3 1830 B13R1.2209 CNC(C)c1cc(ccc1OC)Br 269862a_106832991636_100000173343 [0,2,0,0,0,0|2,0,0]=4 1831 B13R1.2209 CNC(C)c1cc(ccc1OC)C 269862a_106832991636_100000212259 [0,2,0,0,0,0|2,0,0]=4 1832 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 2230a_100011217627_200000210301 [0,2,0,0,0,0|2,0,0]=4 1833 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 269862a_106832991636_100000173345 [0,2,0,0,0,0|2,0,0]=4 1834 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 34a_100011217627_200000210301 [0,2,0,0,0,0|2,0,0]=4 1835 B13R1.2209 CNC(C)c1cc(ccc1OC)F 269862a_106832991636_100000173341 [0,2,0,0,0,0|2,0,0]=4 1836 B13R1.2209 CNC(C)c1cc(cnc1OC)Br 269862a_106832991636_100010135678 [0,2,0,0,0,0|1,0,0]=3 1837 B13R1.2209 COC(=O)c1nc(cnc1OC)O 271570a_203496583355_200010231768 [0,2,0,0,0,0|1,0,1]=4 1838 B13R1.2209 COc1ccc(cc1C(C)N[13CH3])Cl 2230a_100011217627_200025704644 [0,2,0,0,0,0|2,0,0]=4 1839 B13R1.2209 COc1ccc(cc1C(C)N[13CH3])Cl 34a_100011217627_200025704644 [0,2,0,0,0,0|2,0,0]=4 1840 B13R1.2209 COc1ccc(cc1C(C)OC)Cl 34a_100011598618_200000210301 [0,2,0,0,0,0|2,0,0]=4 1841 B13R1.2209 COc1ccc(cc1C(C)OC)Cl 7a_100011598618_200000210301 [0,2,0,0,0,0|2,0,0]=4 1842 B13R1.2209 COc1ccc(cc1C(C)OC)F 34a_100011305292_200000210301 [0,2,0,0,0,0|2,0,0]=4 1843 B13R1.2209 COc1ccc(cc1C(C)OC)F 7a_100011305292_200000210301 [0,2,0,0,0,0|2,0,0]=4 1844 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])Cl 34a_100011598618_200025704644 [0,2,0,0,0,0|2,0,0]=4 1845 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])Cl 7a_100011598618_200025704644 [0,2,0,0,0,0|2,0,0]=4 1846 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])F 34a_100011305292_200025704644 [0,2,0,0,0,0|2,0,0]=4 1847 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])F 7a_100011305292_200025704644 [0,2,0,0,0,0|2,0,0]=4 1848 B13R1.2398 COc1cc(c(cc1C(C)C)Cl)C 34a_100000211603_200000210301 [0,2,0,0,0,0|2,0,0]=4 1849 B13R1.2398 COc1cc(c(cc1C(C)C)Cl)C 7a_100000211603_200000210301 [0,2,0,0,0,0|2,0,0]=4 1850 B13R1.2398 COc1cc(c(cc1C(C)C)N)C 34a_100000686282_200000210301 [0,2,0,0,0,0|2,0,0]=4 1851 B13R1.2398 COc1cc(c(cc1C(C)C)N)C 7a_100000686282_200000210301 [0,2,0,0,0,0|2,0,0]=4 1852 B13R1.2398 Cc1cc(c(cc1Cl)C(C)C)O[13CH3] 34a_100000211603_200025704644 [0,2,0,0,0,0|2,0,0]=4 1853 B13R1.2398 Cc1cc(c(cc1Cl)C(C)C)O[13CH3] 7a_100000211603_200025704644 [0,2,0,0,0,0|2,0,0]=4 1854 B13R1.2398 Cc1cc(c(cc1N)C(C)C)O[13CH3] 34a_100000686282_200025704644 [0,2,0,0,0,0|2,0,0]=4 1855 B13R1.2398 Cc1cc(c(cc1N)C(C)C)O[13CH3] 7a_100000686282_200025704644 [0,2,0,0,0,0|2,0,0]=4 1856 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 2230a_100025764739_200000210301 [0,2,0,0,0,0|2,0,0]=4 1857 B13R1.2430 CNc1ccc(c(c1)C(C)C)OC 34a_100025764739_200000210301 [0,2,0,0,0,0|2,0,0]=4 1858 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 34a_100011998526_200000210301 [0,2,0,0,0,0|2,0,0]=4 1859 B13R1.2430 COc1ccc(c(c1)C(C)C)OC 7a_100011998526_200000210301 [0,2,0,0,0,0|2,0,0]=4 1860 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 34a_100011998526_200025704644 [0,2,0,0,0,0|2,0,0]=4 1861 B13R1.2430 COc1ccc(c(c1)C(C)C)O[13CH3] 7a_100011998526_200025704644 [0,2,0,0,0,0|2,0,0]=4 1862 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 2230a_100025764739_200025704644 [0,2,0,0,0,0|2,0,0]=4 1863 B13R1.2430 COc1ccc(cc1C(C)C)N[13CH3] 34a_100025764739_200025704644 [0,2,0,0,0,0|2,0,0]=4 1864 B13R1.3090 CC(C)(C)c1cc(ccc1O[13CH3])Br 34a_100000704011_200025704644 [0,2,0,0,0,0|2,0,0]=4 1865 B13R1.3090 CC(C)(C)c1cc(ccc1O[13CH3])Br 7a_100000704011_200025704644 [0,2,0,0,0,0|2,0,0]=4 1866 B13R1.3090 CC(C)(C)c1cc(ccc1O[13CH3])Cl 34a_100012180897_200025704644 [0,2,0,0,0,0|2,0,0]=4 1867 B13R1.3090 CC(C)(C)c1cc(ccc1O[13CH3])Cl 7a_100012180897_200025704644 [0,2,0,0,0,0|2,0,0]=4 1868 B13R1.3090 COc1ccc(cc1C(C)(C)C)Br 34a_100000704011_200000210301 [0,2,0,0,0,0|2,0,0]=4 1869 B13R1.3090 COc1ccc(cc1C(C)(C)C)Br 7a_100000704011_200000210301 [0,2,0,0,0,0|2,0,0]=4 1870 B13R1.3090 COc1ccc(cc1C(C)(C)C)C 34a_100000211090_200000210301 [0,2,0,0,0,0|2,0,0]=4 1871 B13R1.3090 COc1ccc(cc1C(C)(C)C)C 7a_100000211090_200000210301 [0,2,0,0,0,0|2,0,0]=4 1872 B13R1.3090 COc1ccc(cc1C(C)(C)C)Cl 34a_100012180897_200000210301 [0,2,0,0,0,0|2,0,0]=4 1873 B13R1.3090 COc1ccc(cc1C(C)(C)C)Cl 7a_100012180897_200000210301 [0,2,0,0,0,0|2,0,0]=4 1874 B13R1.3090 Cc1ccc(c(c1)C(C)(C)C)O[13CH3] 34a_100000211090_200025704644 [0,2,0,0,0,0|2,0,0]=4 1875 B13R1.3090 Cc1ccc(c(c1)C(C)(C)C)O[13CH3] 7a_100000211090_200025704644 [0,2,0,0,0,0|2,0,0]=4 1876 B13R1.53 COc1cc(ccc1C(C)(C)C)C 34a_100000212021_200000210301 [0,2,0,0,0,0|2,0,0]=4 1877 B13R1.53 COc1cc(ccc1C(C)(C)C)C 7a_100000212021_200000210301 [0,2,0,0,0,0|2,0,0]=4 1878 B13R1.53 Cc1ccc(c(c1)O[13CH3])C(C)(C)C 34a_100000212021_200025704644 [0,2,0,0,0,0|2,0,0]=4 1879 B13R1.53 Cc1ccc(c(c1)O[13CH3])C(C)(C)C 7a_100000212021_200025704644 [0,2,0,0,0,0|2,0,0]=4 1880 B13R1.99 COc1cc(cnc1N(C)C)C#N 27a_100102631434_200009864118 [0,2,0,0,0,0|2,0,0]=4 1881 B13R1.356 C=C=Cc1nc(cnc1C(C)C)C 271570a_100015277604_100015629263 [0,2,0,0,0,0|1,0,1]=4 1882 B13R1.356 CC=Cc1nc(cnc1C(C)C)C 271570a_100016259895_100015629263 [0,2,0,0,0,0|1,0,0]=3 1883 B13R1.356 CCNc1nc(cnc1C(C)C)C 27a_100015525214_100015629263 [0,2,0,0,0,0|1,0,0]=3 1884 B13R1.356 CCOc1cc(ccc1C(C)C)C 34a_100000185798_100000210202 [0,2,0,0,0,0|2,0,0]=4 1885 B13R1.356 CCOc1cc(ccc1C(C)C)C 7a_100000185798_100000210202 [0,2,0,0,0,0|2,0,0]=4 1886 B13R1.356 CCSc1nc(cnc1C(C)C)C 62a_100000210202_100015629263 [0,2,0,0,0,0|0,1,0]=3 1887 B13R1.356 CCSc1nc(cnc1C(C)C)C 62a_100015629263_100000210202 [0,2,0,0,0,0|0,1,0]=3 1888 B13R1.356 Cc1ccc(c(c1)OCF)C(C)C 34a_100000185798_100015361967 [0,2,0,0,0,0|2,0,0]=4 1889 B13R1.356 Cc1ccc(c(c1)OCF)C(C)C 7a_100000185798_100015361967 [0,2,0,0,0,0|2,0,0]=4 1890 B13R1.356 Cc1cnc(c(n1)SCF)C(C)C 62a_100015361967_100015629263 [0,2,0,0,0,0|0,1,0]=3 1891 B13R1.356 Cc1cnc(c(n1)SCF)C(C)C 62a_100015629263_100015361967 [0,2,0,0,0,0|0,1,0]=3 1892 B13R1.2065 CNC(C)c1ccc(cc1OC)Br 269862a_106832991636_100000709911 [0,2,0,0,0,0|2,0,0]=4 1893 B13R1.2065 CNC(C)c1ccc(cc1OC)C 269862a_106832991636_100000234786 [0,2,0,0,0,0|2,0,0]=4 1894 B13R1.2065 CNC(C)c1ccc(cc1OC)Cl 269862a_106832991636_100011551334 [0,2,0,0,0,0|2,0,0]=4 1895 B13R1.2065 CNC(C)c1ccc(cc1OC)F 269862a_106832991636_100011218476 [0,2,0,0,0,0|2,0,0]=4 1896 B13R1.2065 CNC(C)c1ncc(cc1OC)Br 269862a_106832991636_100010137934 [0,2,0,0,0,0|1,0,0]=3 1897 B13R1.2065 CNC(C)c1ncc(cc1OC)Br 270004a_106832991635_100010137934 [0,2,0,0,0,0|1,0,0]=3 1898 B13R1.108 CC(C)(C)c1cccc(c1O[13CH3])Br 34a_100010083445_200025704644 [0,2,0,0,0,0|2,0,0]=4 1899 B13R1.108 CC(C)(C)c1cccc(c1O[13CH3])Br 7a_100010083445_200025704644 [0,2,0,0,0,0|2,0,0]=4 1900 B13R1.108 COc1c(cccc1C(C)(C)C)Br 34a_100010083445_200000210301 [0,2,0,0,0,0|2,0,0]=4 1901 B13R1.108 COc1c(cccc1C(C)(C)C)Br 7a_100010083445_200000210301 [0,2,0,0,0,0|2,0,0]=4 1902 B13R1.108 COc1c(cccc1C(C)(C)C)C 34a_100000039572_200000210301 [0,2,0,0,0,0|2,0,0]=4 1903 B13R1.108 COc1c(cccc1C(C)(C)C)C 7a_100000039572_200000210301 [0,2,0,0,0,0|2,0,0]=4 1904 B13R1.108 COc1c(cccc1C(C)(C)C)O 271570a_203496583355_200010759305 [0,2,0,0,0,0|2,0,0]=4 1905 B13R1.108 Cc1cccc(c1O[13CH3])C(C)(C)C 34a_100000039572_200025704644 [0,2,0,0,0,0|2,0,0]=4 1906 B13R1.108 Cc1cccc(c1O[13CH3])C(C)(C)C 7a_100000039572_200025704644 [0,2,0,0,0,0|2,0,0]=4 1907 B13R1.349 C=C(C)c1cccnc1C(C)(C)O 271570a_100000694244_200010080787 [0,2,0,0,0,0|2,0,0]=4 1908 B13R1.349 C=C(C)c1ncccc1C(C)(C)O 271570a_100000694244_100010080783 [0,2,0,0,0,0|2,0,0]=4 1909 B13R1.381 CC(C)(C)c1ccccc1OCF 34a_100000211619_100015361967 [0,2,0,0,0,0|2,0,0]=4 1910 B13R1.381 CC(C)(C)c1ccccc1OCF 7a_100000211619_100015361967 [0,2,0,0,0,0|2,0,0]=4 1911 B13R1.381 CC(C)(O)c1cccnc1SCF 62a_100010080783_100015361967 [0,2,0,0,0,0|1,1,0]=4 1912 B13R1.381 CC(C)(O)c1cccnc1SCF 62a_100015361967_100010080783 [0,2,0,0,0,0|1,1,0]=4 1913 B13R1.381 CC(C)(O)c1ncccc1SCF 62a_100015361967_200010080787 [0,2,0,0,0,0|1,1,0]=4 1914 B13R1.381 CC(C)(O)c1ncccc1SCF 62a_200010080787_100015361967 [0,2,0,0,0,0|1,1,0]=4 1915 B13R1.381 CC=Cc1cccnc1C(C)(C)O 271570a_100016259895_200010080787 [0,2,0,0,0,0|2,0,0]=4 1916 B13R1.381 CC=Cc1ncccc1C(C)(C)O 271570a_100016259895_100010080783 [0,2,0,0,0,0|2,0,0]=4 1917 B13R1.381 CCOc1ccccc1C(C)(C)C 34a_100000211619_100000210202 [0,2,0,0,0,0|2,0,0]=4 1918 B13R1.381 CCOc1ccccc1C(C)(C)C 7a_100000211619_100000210202 [0,2,0,0,0,0|2,0,0]=4 1919 B13R1.381 CCOc1nccnc1C(F)(F)F 34a_200009888604_100000210202 [0,2,0,0,0,0|2,0,0]=4 1920 B13R1.381 CCSc1cccnc1C(C)(C)O 62a_100000210202_200010080787 [0,2,0,0,0,0|1,1,0]=4 1921 B13R1.381 CCSc1cccnc1C(C)(C)O 62a_200010080787_100000210202 [0,2,0,0,0,0|1,1,0]=4 1922 B13R1.381 CCSc1ncccc1C(C)(C)O 62a_100000210202_100010080783 [0,2,0,0,0,0|1,1,0]=4 1923 B13R1.381 CCSc1ncccc1C(C)(C)O 62a_100010080783_100000210202 [0,2,0,0,0,0|1,1,0]=4 1924 B13R1.381 FCOc1nccnc1C(F)(F)F 34a_200009888604_100015361967 [0,2,0,0,0,0|2,0,0]=4 1925 B13R1.2129 CCC(C)(C)c1ccccc1OC 7a_100000065868_200000210301 [0,2,0,0,0,0|2,0,0]=4 1926 B13R1.2129 CCC(C)(C)c1ccccc1O[13CH3] 7a_100000065868_200025704644 [0,2,0,0,0,0|2,0,0]=4 1927 B13R1.92 CCC(NC)c1ccccc1OC 2230a_100016991433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1928 B13R1.92 CCC(NC)c1ccccc1OC 269862a_106832991636_100000172531 [0,2,0,0,0,0|2,0,0]=4 1929 B13R1.92 CCC(N[13CH3])c1ccccc1OC 2230a_100016991433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1930 B13R1.92 CCN(CC)c1nccnc1OC 27a_100000724800_100009858322 [0,2,0,0,0,0|1,0,0]=3 1931 B13R1.92 CCc1nccnc1N(CC)CC 27a_100000724800_100011995844 [0,2,0,0,0,0|2,0,0]=4 1932 B13R1.92 CNC(CO)c1ccccc1OC 2230a_100000756845_200000210301 [0,2,0,0,0,0|2,0,0]=4 1933 B13R1.92 COc1ccccc1C(CO)N[13CH3] 2230a_100000756845_200025704644 [0,2,0,0,0,0|2,0,0]=4 1934 B13R1.107 CNC(C)c1cccc(c1OC)Br 269862a_106832991636_100010725610 [0,2,0,0,0,0|2,0,0]=4 1935 B13R1.107 CNC(C)c1cccc(c1OC)C 269862a_106832991636_100000101305 [0,2,0,0,0,0|2,0,0]=4 1936 B13R1.107 CNC(C)c1cccc(c1OC)Cl 269862a_106832991636_100000090349 [0,2,0,0,0,0|2,0,0]=4 1937 B13R1.107 CNC(C)c1cccc(c1OC)F 269862a_106832991636_100012017355 [0,2,0,0,0,0|2,0,0]=4 1938 B13R1.382 CC=Cc1cccnc1[C@H](C)OC 271570a_100016259895_106256553109 [0,2,0,0,0,0|2,0,0]=4 1939 B13R1.382 CCC(C)c1ccccc1OCF 7a_100000211618_100015361967 [0,2,0,0,0,0|2,0,0]=4 1940 B13R1.382 CCOc1ccccc1C(C)CC 7a_100000211618_100000210202 [0,2,0,0,0,0|2,0,0]=4 1941 B13R1.382 CCOc1ccccc1C(C)NC 2230a_100000737537_200000210301 [0,2,0,0,0,0|2,0,0]=4 1942 B13R1.382 CCOc1ccccc1C(C)NC 269862a_106832991636_100000172999 [0,2,0,0,0,0|2,0,0]=4 1943 B13R1.382 CCOc1ccccc1C(C)N[13CH3] 2230a_100000737537_200025704644 [0,2,0,0,0,0|2,0,0]=4 1944 B13R1.382 CCOc1ccccc1C(C)OC 7a_100000246524_200000210301 [0,2,0,0,0,0|2,0,0]=4 1945 B13R1.382 CCOc1ccccc1C(C)O[13CH3] 7a_100000246524_200025704644 [0,2,0,0,0,0|2,0,0]=4 1946 B13R1.382 CCOc1ncccc1C(C)NC 269862a_106832991636_100012039643 [0,2,0,0,0,0|1,0,0]=3 1947 B13R1.382 CCSc1cccnc1[C@H](C)OC 62a_100000210202_106256553109 [0,2,0,0,0,0|1,1,0]=4 1948 B13R1.382 CCSc1cccnc1[C@H](C)OC 62a_106256553109_100000210202 [0,2,0,0,0,0|1,1,0]=4 1949 B13R1.382 CO[C@@H](C)c1ncccc1SCF 62a_100015361967_106256553109 [0,2,0,0,0,0|1,1,0]=4 1950 B13R1.382 CO[C@@H](C)c1ncccc1SCF 62a_106256553109_100015361967 [0,2,0,0,0,0|1,1,0]=4 1951 B13R1.464 C#CCN(C)c1nccnc1CC 27a_100000225692_100011995844 [0,2,0,0,0,0|2,0,0]=4 1952 B13R1.464 C#CCN(C)c1nccnc1OC 27a_100000225692_100009858322 [0,2,0,0,0,0|1,0,0]=3 1953 B13R1.464 CCCN(C)c1nccnc1CC 27a_100000747261_100011995844 [0,2,0,0,0,0|2,0,0]=4 1954 B13R1.464 CCCN(C)c1nccnc1OC 27a_100000747261_100009858322 [0,2,0,0,0,0|1,0,0]=3 1955 B13R1.464 CCNC(C)c1ccccc1OC 2230a_100000185323_100000210202 [0,2,0,0,0,0|2,0,0]=4 1956 B13R1.464 CCNC(C)c1ccccc1OC 269862a_100015525214_100000173324 [0,2,0,0,0,0|2,0,0]=4 1957 B13R1.464 CCNC(C)c1cccnc1OC 269862a_100015525214_100012184464 [0,2,0,0,0,0|1,0,0]=3 1958 B13R1.464 CCNC(C)c1ncccc1OC 269862a_100015525214_100012185210 [0,2,0,0,0,0|1,0,0]=3 1959 B13R1.464 CCNC(C)c1nccnc1CC 269862a_100015525214_100000033879 [0,2,0,0,0,0|1,0,0]=3 1960 B13R1.464 CCOC(C)c1ccccc1OC 7a_100000742714_100000210202 [0,2,0,0,0,0|2,0,0]=4 1961 B13R1.464 CCc1nccnc1N(C)CCO 27a_100000210263_100011995844 [0,2,0,0,0,0|2,0,0]=4 1962 B13R1.464 COc1ccccc1C(C)OCF 7a_100000742714_100015361967 [0,2,0,0,0,0|2,0,0]=4 1963 B13R1.464 COc1nccnc1N(C)CCO 27a_100000210263_100009858322 [0,2,0,0,0,0|1,0,0]=3 1964 B13R1.547 C=C(C)c1cccnc1[C@H](C)OC 271570a_100000694244_106256553109 [0,2,0,0,0,0|2,0,0]=4 1965 B13R1.547 C=C(C)c1nccnc1C(=O)OC 271570a_100000694244_100000688410 [0,2,0,0,0,0|0,0,2]=4 1966 B13R1.547 COC(=O)c1cccnc1N(C)C 27a_100102631434_100000150852 [0,2,0,0,0,0|2,0,0]=4 1967 B13R1.547 COC(=O)c1nccnc1N(C)C 27a_100102631434_100000079898 [0,2,0,0,0,0|1,0,0]=3 1968 B13R1.2357 CN[C@@H](C)c1c(cccc1OC)F 2230a_100025712826_200000210301 [0,2,0,0,0,0|2,0,0]=4 1969 B13R1.2357 CN[C@@H](C)c1c(cccc1OC)F 34a_100025712826_200000210301 [0,2,0,0,0,0|2,0,0]=4 1970 B13R1.2357 COc1cccc(c1[C@H](C)N[13CH3])F 2230a_100025712826_200025704644 [0,2,0,0,0,0|2,0,0]=4 1971 B13R1.2357 COc1cccc(c1[C@H](C)N[13CH3])F 34a_100025712826_200025704644 [0,2,0,0,0,0|2,0,0]=4 1972 B13R1.572 C#CCNc1nccnc1N(C)C 27a_100000212058_100000703087 [0,2,0,0,0,0|2,0,0]=4 1973 B13R1.572 C#CCOc1ccccc1C(C)C 34a_100000211617_100000184674 [0,2,0,0,0,0|2,0,0]=4 1974 B13R1.572 C#CCOc1ccccc1C(C)C 7a_100000211617_100000038162 [0,2,0,0,0,0|2,0,0]=4 1975 B13R1.572 C#CCOc1cccnc1C(C)C 34a_100012183336_100000184674 [0,2,0,0,0,0|1,0,0]=3 1976 B13R1.572 C#CCOc1cccnc1C(C)C 7a_100012183336_100000038162 [0,2,0,0,0,0|1,0,0]=3 1977 B13R1.572 C#CCSc1ncccc1C(C)C 62a_100000038162_200010382935 [0,2,0,0,0,0|1,1,0]=4 1978 B13R1.572 C#CCSc1nccnc1N(C)C 62a_100000038162_100000703087 [0,2,0,0,0,0|1,1,0]=4 1979 B13R1.572 C=CCNc1nccnc1N(C)C 27a_100020586998_100000703087 [0,2,0,0,0,0|2,0,0]=4 1980 B13R1.572 C=CCOc1ccccc1C(C)C 34a_100000211617_100015514636 [0,2,0,0,0,0|2,0,0]=4 1981 B13R1.572 C=CCOc1ccccc1C(C)C 7a_100000211617_100015514636 [0,2,0,0,0,0|2,0,0]=4 1982 B13R1.572 C=CCOc1cccnc1C(C)C 34a_100012183336_100015514636 [0,2,0,0,0,0|1,0,0]=3 1983 B13R1.572 C=CCOc1cccnc1C(C)C 7a_100012183336_100015514636 [0,2,0,0,0,0|1,0,0]=3 1984 B13R1.572 C=CCSc1ncccc1C(C)C 62a_100000210623_200010382935 [0,2,0,0,0,0|1,1,0]=4 1985 B13R1.572 C=CCSc1ncccc1C(C)C 62a_200010382935_100000210623 [0,2,0,0,0,0|1,1,0]=4 1986 B13R1.572 C=CCSc1nccnc1N(C)C 62a_100000210623_100000703087 [0,2,0,0,0,0|1,1,0]=4 1987 B13R1.572 CC(C)c1ccccc1OCC#N 7a_100000211617_100011215382 [0,2,0,0,0,0|2,0,0]=4 1988 B13R1.572 CC(C)c1ccccc1OCC=O 34a_100000211617_200009817547 [0,2,0,0,0,0|2,0,0]=4 1989 B13R1.572 CC(C)c1ccccc1OCC=O 7a_100000211617_200015260668 [0,2,0,0,0,0|2,0,0]=4 1990 B13R1.572 CC(C)c1ccccc1OCCF 34a_100000211617_100011217306 [0,2,0,0,0,0|2,0,0]=4 1991 B13R1.572 CC(C)c1ccccc1OCCF 7a_100000211617_100011217306 [0,2,0,0,0,0|2,0,0]=4 1992 B13R1.572 CC(C)c1ccccc1OCCO 34a_100000211617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1993 B13R1.572 CC(C)c1ccccc1OCCO 7a_100000211617_100000211926 [0,2,0,0,0,0|2,0,0]=4 1994 B13R1.572 CC(C)c1cccnc1COCF 34a_200009878718_100015361967 [0,2,0,0,0,0|1,0,0]=3 1995 B13R1.572 CC(C)c1cccnc1CSCF 62a_100015361967_200134614246 [0,2,0,0,0,0|1,1,0]=4 1996 B13R1.572 CC(C)c1cccnc1CSCF 62a_200134614246_100015361967 [0,2,0,0,0,0|1,1,0]=4 1997 B13R1.572 CC(C)c1cccnc1SCC#N 62a_100011215382_200010382935 [0,2,0,0,0,0|1,1,0]=4 1998 B13R1.572 CC(C)c1cccnc1SCC#N 62a_200010382935_100011215382 [0,2,0,0,0,0|1,1,0]=4 1999 B13R1.572 CC(C)c1cccnc1SCC=O 62a_200010382935_200015260668 [0,2,0,0,0,0|1,1,0]=4 2000 B13R1.572 CC(C)c1cccnc1SCC=O 62a_200015260668_200010382935 [0,2,0,0,0,0|1,1,0]=4 2001 B13R1.572 CC(C)c1cccnc1SCCF 62a_100011217306_200010382935 [0,2,0,0,0,0|1,1,0]=4 2002 B13R1.572 CC(C)c1cccnc1SCCF 62a_200010382935_100011217306 [0,2,0,0,0,0|1,1,0]=4 2003 B13R1.572 CC(C)c1cccnc1SCCO 62a_100000211926_200010382935 [0,2,0,0,0,0|1,1,0]=4 2004 B13R1.572 CC(C)c1cccnc1SCCO 62a_200010382935_100000211926 [0,2,0,0,0,0|1,1,0]=4 2005 B13R1.572 CC(C)c1ncccc1OCC#N 7a_100012183336_100011215382 [0,2,0,0,0,0|1,0,0]=3 2006 B13R1.572 CC(C)c1ncccc1OCC=O 34a_100012183336_200009817547 [0,2,0,0,0,0|1,0,0]=3 2007 B13R1.572 CC(C)c1ncccc1OCC=O 7a_100012183336_200015260668 [0,2,0,0,0,0|1,0,0]=3 2008 B13R1.572 CC(C)c1ncccc1OCCF 34a_100012183336_100011217306 [0,2,0,0,0,0|1,0,0]=3 2009 B13R1.572 CC(C)c1ncccc1OCCF 7a_100012183336_100011217306 [0,2,0,0,0,0|1,0,0]=3 2010 B13R1.572 CC(C)c1ncccc1OCCO 34a_100012183336_100000211926 [0,2,0,0,0,0|1,0,0]=3 2011 B13R1.572 CC(C)c1ncccc1OCCO 7a_100012183336_100000211926 [0,2,0,0,0,0|1,0,0]=3 2012 B13R1.572 CCCCc1ncccc1C(C)C 271570a_100020621405_200010382935 [0,2,0,0,0,0|2,0,0]=4 2013 B13R1.572 CCCCc1nccnc1N(C)C 271570a_100020621405_100000703087 [0,2,0,0,0,0|2,0,0]=4 2014 B13R1.572 CCCOc1ccccc1C(C)C 34a_100000211617_100000210303 [0,2,0,0,0,0|2,0,0]=4 2015 B13R1.572 CCCOc1ccccc1C(C)C 7a_100000211617_100000210303 [0,2,0,0,0,0|2,0,0]=4 2016 B13R1.572 CCCOc1cccnc1C(C)C 34a_100012183336_100000210303 [0,2,0,0,0,0|1,0,0]=3 2017 B13R1.572 CCCOc1cccnc1C(C)C 7a_100012183336_100000210303 [0,2,0,0,0,0|1,0,0]=3 2018 B13R1.572 CCCSc1ncccc1C(C)C 62a_100000210303_200010382935 [0,2,0,0,0,0|1,1,0]=4 2019 B13R1.572 CCCSc1ncccc1C(C)C 62a_200010382935_100000210303 [0,2,0,0,0,0|1,1,0]=4 2020 B13R1.572 CCCSc1nccnc1N(C)C 62a_100000210303_100000703087 [0,2,0,0,0,0|1,1,0]=4 2021 B13R1.572 CCNCc1ncccc1C(C)C 2230a_100015525214_200134614246 [0,2,0,0,0,0|2,0,0]=4 2022 B13R1.572 CCOCc1ncccc1C(C)C 34a_100121572206_200134614246 [0,2,0,0,0,0|1,0,0]=3 2023 B13R1.572 CCOCc1ncccc1C(C)C 34a_200009878718_100000210202 [0,2,0,0,0,0|1,0,0]=3 2024 B13R1.572 CCSCc1ncccc1C(C)C 62a_100000210202_200134614246 [0,2,0,0,0,0|1,1,0]=4 2025 B13R1.572 CCSCc1ncccc1C(C)C 62a_200134614246_100000210202 [0,2,0,0,0,0|1,1,0]=4 2026 B13R1.572 CN(C)c1ncccc1OCCF 27a_100102631434_100012814765 [0,2,0,0,0,0|2,0,0]=4 2027 B13R1.572 CN(C)c1nccnc1NCCO 27a_100000210304_100000703087 [0,2,0,0,0,0|2,0,0]=4 2028 B13R1.572 CN(C)c1nccnc1SCC#N 62a_100011215382_100000703087 [0,2,0,0,0,0|1,1,0]=4 2029 B13R1.572 CN(C)c1nccnc1SCC=O 62a_200015260668_100000703087 [0,2,0,0,0,0|1,1,0]=4 2030 B13R1.572 CN(C)c1nccnc1SCCF 62a_100011217306_100000703087 [0,2,0,0,0,0|1,1,0]=4 2031 B13R1.572 CN(C)c1nccnc1SCCO 62a_100000211926_100000703087 [0,2,0,0,0,0|1,1,0]=4 2032 B13R1.572 COCNc1ccccc1C(C)C 2230a_100000210643_100000766300 [0,2,0,0,0,0|2,0,0]=4 2033 B13R1.572 COCSc1ccccc1C(C)C 62a_100000708600_100000766300 [0,2,0,0,0,0|2,0,0]=4 2034 B13R1.572 COCSc1ccccc1C(C)C 62a_100000766300_100000708600 [0,2,0,0,0,0|2,0,0]=4 2035 B13R1.572 COCSc1cccnc1C(C)N 62a_100000766300_100159271932 [0,2,0,0,0,0|2,0,0]=4 2036 B13R1.572 COCSc1cccnc1C(C)N 62a_100159271932_100000766300 [0,2,0,0,0,0|2,0,0]=4 2037 B13R1.572 COCSc1cccnc1N(C)C 62a_100000766300_100011465059 [0,2,0,0,0,0|2,0,0]=4 2038 B13R1.572 COCSc1cccnc1N(C)C 62a_100011465059_100000766300 [0,2,0,0,0,0|2,0,0]=4 2039 B13R1.572 COCSc1cccnc1[C@H](C)O 62a_100000766300_100013325542 [0,2,0,0,0,0|2,0,0]=4 2040 B13R1.572 COCSc1cccnc1[C@H](C)O 62a_100013325542_100000766300 [0,2,0,0,0,0|2,0,0]=4 2041 B13R1.572 COCSc1cncnc1C(C)C 62a_100000766300_100009816988 [0,2,0,0,0,0|2,0,0]=4 2042 B13R1.572 COCSc1cncnc1C(C)C 62a_100009816988_100000766300 [0,2,0,0,0,0|2,0,0]=4 2043 B13R1.572 COCSc1ncccc1C(C)C 62a_100000766300_200010382935 [0,2,0,0,0,0|1,0,0]=3 2044 B13R1.572 COCSc1ncccc1C(C)C 62a_200010382935_100000766300 [0,2,0,0,0,0|1,0,0]=3 2045 B13R1.572 COCSc1ncccc1C(C)O 62a_100000766300_100009865335 [0,2,0,0,0,0|2,0,0]=4 2046 B13R1.572 COCSc1ncccc1C(C)O 62a_100009865335_100000766300 [0,2,0,0,0,0|2,0,0]=4 2047 B13R1.572 COCSc1nccnc1C(=O)C 62a_100000099859_100000766300 [0,2,0,0,0,0|1,0,1]=4 2048 B13R1.572 COCSc1nccnc1C(=O)C 62a_100000766300_100000099859 [0,2,0,0,0,0|1,0,1]=4 2049 B13R1.572 COCSc1nccnc1N(C)C 62a_100000766300_100000703087 [0,2,0,0,0,0|1,0,0]=3 2050 B13R1.572 CSCOc1ccccc1C(C)C 34a_100000211617_100011218213 [0,2,0,0,0,0|2,0,0]=4 2051 B13R1.572 CSCOc1cccnc1C(C)C 34a_100012183336_100011218213 [0,2,0,0,0,0|1,0,0]=3 2052 B13R1.572 CSCSc1ncccc1C(C)C 62a_100011218213_200010382935 [0,2,0,0,0,0|1,1,0]=4 2053 B13R1.572 CSCSc1ncccc1C(C)C 62a_200010382935_100011218213 [0,2,0,0,0,0|1,1,0]=4 2054 B13R1.572 CSCSc1nccnc1N(C)C 62a_100011218213_100000703087 [0,2,0,0,0,0|1,1,0]=4 2055 B13R1.2356 CC(C)c1c(cccc1O[13CH3])C#N 34a_200009867358_200025704644 [0,2,0,0,0,0|2,0,0]=4 2056 B13R1.2356 CC(C)c1c(cccc1O[13CH3])C#N 7a_200009867358_200025704644 [0,2,0,0,0,0|2,0,0]=4 2057 B13R1.2356 COc1cccc(c1C(C)C)C#N 34a_200009867358_200000210301 [0,2,0,0,0,0|2,0,0]=4 2058 B13R1.2356 COc1cccc(c1C(C)C)C#N 7a_200009867358_200000210301 [0,2,0,0,0,0|2,0,0]=4 2059 B11R1.90 CC(C)C=Cc1cncn1C 271570a_100016257149_100009814087 [0,0,1,1,0,0|2,0,0]=4 2060 B11R1.172 CC(C)NN=Cc1cocn1 4a_100000741168_100000050382 [0,0,1,1,0,0|1,0,1]=4 2061 B11R1.21 Cc1cc(ncc1O)C(C)C 271570a_203496583355_100021475462 [0,0,1,1,0,0|2,0,0]=4 2062 B11R2.55 Brc1cccnc1C2CC2 271570a_100011220607_100000696092 [1,0,0,1,0,0|2,0,0]=4 2063 B11R2.55 Brc1ncccc1C2CC2 271570a_100011220607_100010202626 [1,0,0,1,0,0|2,0,0]=4 2064 B11R2.55 Cc1ccccc1C2CC2 271570a_100011220607_100000210755 [1,0,0,1,0,0|2,0,0]=4 2065 B11R2.55 Cc1cccnc1C2CC2 271570a_100011220607_100000751373 [1,0,0,1,0,0|1,0,0]=3 2066 B11R2.55 Cc1ccnnc1C2CC2 271570a_100011220607_100000089043 [1,0,0,1,0,0|2,0,0]=4 2067 B11R2.55 Cc1cncnc1C2CC2 271570a_100011220607_100011998708 [1,0,0,1,0,0|2,0,0]=4 2068 B11R2.55 Cc1ncccc1C2CC2 271570a_100011220607_100000751574 [1,0,0,1,0,0|1,0,0]=3 2069 B11R2.55 Cc1nccnc1C2CC2 271570a_100011220607_100011999405 [1,0,0,1,0,0|0,0,0]=2 2070 B11R2.55 Cc1ncncc1C2CC2 271570a_100011220607_100009819671 [1,0,0,1,0,0|2,0,0]=4 2071 B11R2.55 Clc1cccnc1C2CC2 271570a_100011220607_100011356963 [1,0,0,1,0,0|2,0,0]=4 2072 B11R2.55 Clc1ncccc1C2CC2 271570a_100011220607_100000036424 [1,0,0,1,0,0|2,0,0]=4 2073 B11R2.55 Fc1cccnc1C2CC2 271570a_100011220607_100000685392 [1,0,0,1,0,0|2,0,0]=4 2074 B11R2.55 Fc1ncccc1C2CC2 271570a_100011220607_100009816115 [1,0,0,1,0,0|2,0,0]=4 2075 B11R2.55 Fc1nccnc1C2CC2 271570a_100011220607_200010125657 [1,0,0,1,0,0|1,0,0]=3 2076 B11R2.55 Nc1cccnc1C2CC2 271570a_100011220607_100000688686 [1,0,0,1,0,0|2,0,0]=4 2077 B11R2.55 Nc1ncccc1C2CC2 271570a_100011220607_100000045569 [1,0,0,1,0,0|2,0,0]=4 2078 B11R2.55 Nc1nccnc1C2CC2 271570a_100011220607_100000747729 [1,0,0,1,0,0|1,0,0]=3 2079 B11R2.55 O=c1[nH]ccnc1C2CC2 271570a_100011220607_100000763361 [1,0,0,1,0,0|0,0,2]=4 2080 B11R2.55 Oc1ccccc1C2CC2 271570a_100011220607_100000739446 [1,0,0,1,0,0|2,0,0]=4 2081 B11R2.55 Oc1ccccc1C2CC2 271570a_203496583355_100009819954 [1,0,0,1,0,0|2,0,0]=4 2082 B11R2.55 Oc1cccnc1C2CC2 271570a_100011220607_100000034122 [1,0,0,1,0,0|1,0,0]=3 2083 B11R2.55 Oc1cncnc1C2CC2 271570a_203496583355_200009889426 [1,0,0,1,0,0|2,0,0]=4 2084 B11R2.55 Oc1ncccc1C2CC2 271570a_203496583355_100009851976 [1,0,0,1,0,0|1,0,0]=3 2085 B11R2.55 Oc1ncncc1C2CC2 271570a_100011220607_100000751107 [1,0,0,1,0,0|2,0,0]=4 2086 B11R2.216 CCc1ccsc1C2CC2 271570a_100011220607_200009875468 [0,0,0,1,1,0|2,0,0]=4 2087 B11R2.216 CCn1ccnc1C2CC2 271570a_100011220607_100011617267 [0,0,0,1,1,0|2,0,0]=4 2088 B11R2.216 CCn1nccc1C2CC2 271570a_100011220607_100000728327 [0,0,0,1,1,0|2,0,0]=4 2089 B11R2.216 CCn1ncnc1C2CC2 271570a_100011220607_100009879425 [0,0,0,1,1,0|2,0,0]=4 2090 B11R2.216 COc1n[nH]cc1C2CC2 271570a_100011220607_100010982843 [0,0,0,1,1,0|1,0,0]=3 2091 B11R2.216 CSc1c[nH]nc1C2CC2 62a_100011471633_200000210301 [0,0,0,1,1,0|1,1,0]=4 2092 B11R2.216 CSc1c[nH]nc1C2CC2 62a_200000210301_100011471633 [0,0,0,1,1,0|1,1,0]=4 2093 B11R2.216 CSc1sccc1C2CC2 271570a_100011220607_200010341309 [0,0,0,1,1,0|1,1,0]=4 2094 B11R2.216 CSc1sccc1C2CC2 62a_100010071141_200000210301 [0,0,0,1,1,0|1,1,0]=4 2095 B11R2.216 CSc1sccc1C2CC2 62a_200000210301_100010071141 [0,0,0,1,1,0|1,1,0]=4 2096 B11R2.216 [13CH3]Sc1c[nH]nc1C2CC2 62a_100011471633_200025704644 [0,0,0,1,1,0|1,1,0]=4 2097 B11R2.216 [13CH3]Sc1c[nH]nc1C2CC2 62a_200025704644_100011471633 [0,0,0,1,1,0|1,1,0]=4 2098 B11R2.216 [13CH3]Sc1sccc1C2CC2 62a_100010071141_200025704644 [0,0,0,1,1,0|1,1,0]=4 2099 B11R2.216 [13CH3]Sc1sccc1C2CC2 62a_200025704644_100010071141 [0,0,0,1,1,0|1,1,0]=4 2100 B13R2.621 CCc1ncccc1SC2CC2 62a_100009877225_100000211595 [0,0,0,1,0,1|2,0,0]=4 2101 B13R2.621 CCc1nccnc1NC2CC2 27a_100000212008_100011995844 [0,0,0,1,0,1|1,0,0]=3 2102 B13R2.621 CCc1nccnc1SC2CC2 62a_100011995844_100000211595 [0,0,0,1,0,1|1,0,0]=3 2103 B13R2.621 CNc1ncccc1SC2CC2 62a_100000700899_100000211595 [0,0,0,1,0,1|2,0,0]=4 2104 B13R2.621 COc1ccccc1NC2CC2 34a_100000210025_100000211595 [0,0,0,1,0,1|2,0,0]=4 2105 B13R2.621 COc1ccccc1OC2CC2 34a_100000210385_100000211595 [0,0,0,1,0,1|2,0,0]=4 2106 B13R2.621 COc1ccccc1SC2CC2 62a_100000210334_100000211595 [0,0,0,1,0,1|2,0,0]=4 2107 B13R2.621 COc1cccnc1OC2CC2 34a_100025773188_100000211595 [0,0,0,1,0,1|1,0,0]=3 2108 B13R2.621 COc1cccnc1SC2CC2 62a_100000767102_100000211595 [0,0,0,1,0,1|1,0,0]=3 2109 B13R2.621 COc1cncnc1NC2CC2 27a_100000212008_100012001275 [0,0,0,1,0,1|2,0,0]=4 2110 B13R2.621 COc1cncnc1SC2CC2 62a_100012001275_100000211595 [0,0,0,1,0,1|2,0,0]=4 2111 B13R2.621 COc1ncccc1OC2CC2 34a_100000698397_100000211595 [0,0,0,1,0,1|1,0,0]=3 2112 B13R2.621 COc1ncccc1SC2CC2 62a_100000047025_100000211595 [0,0,0,1,0,1|1,0,0]=3 2113 B13R2.621 COc1nccnc1NC2CC2 27a_100000212008_100009858322 [0,0,0,1,0,1|0,0,0]=2 2114 B13R2.621 COc1nccnc1SC2CC2 62a_100009858322_100000211595 [0,0,0,1,0,1|0,0,0]=2 2115 B13R2.621 COc1ncncc1SC2CC2 62a_100000719902_100000211595 [0,0,0,1,0,1|2,0,0]=4 2116 B13R2.621 CSc1ncccc1SC2CC2 62a_100011465278_100000211595 [0,0,0,1,0,1|1,1,0]=4 2117 B13R2.621 N#Cc1nccnc1NC2CC2 27a_100000212008_100000040484 [0,0,0,1,0,1|2,0,0]=4 2118 B13R2.621 NCc1nccnc1SC2CC2 62a_100000729963_100000211595 [0,0,0,1,0,1|2,0,0]=4 2119 B13R2.621 O=Cc1nccnc1SC2CC2 62a_100000051000_100000211595 [0,0,0,1,0,1|2,0,0]=4 2120 B13R2.621 OCc1nccnc1SC2CC2 62a_100000057004_100000211595 [0,0,0,1,0,1|2,0,0]=4 2121 B13R2.66 CCc1ncc(cc1C2CC2)N 271570a_100011220607_100013085292 [0,1,0,1,0,0|2,0,0]=4 2122 B13R2.66 COc1ccc(cc1C2CC2)Br 271570a_100011220607_100012351588 [0,1,0,1,0,0|2,0,0]=4 2123 B13R2.66 COc1ccc(cc1C2CC2)C 271570a_100011220607_100000186399 [0,1,0,1,0,0|2,0,0]=4 2124 B13R2.66 COc1ccc(cc1C2CC2)Cl 271570a_100011220607_100011215930 [0,1,0,1,0,0|2,0,0]=4 2125 B13R2.66 COc1ccc(cc1C2CC2)F 271570a_100011220607_100000171694 [0,1,0,1,0,0|2,0,0]=4 2126 B13R2.66 COc1ccc(cc1C2CC2)N 271570a_100011220607_100000187427 [0,1,0,1,0,0|2,0,0]=4 2127 B13R2.66 COc1ccc(cc1C2CC2)O 271570a_100011220607_100010084122 [0,1,0,1,0,0|2,0,0]=4 2128 B13R2.66 COc1ccc(nc1C2CC2)C 271570a_100011220607_100009820875 [0,1,0,1,0,0|1,0,0]=3 2129 B13R2.66 COc1ccc(nc1C2CC2)N 271570a_100011220607_100010172607 [0,1,0,1,0,0|1,0,0]=3 2130 B13R2.66 COc1ncc(cc1C2CC2)Br 271570a_100011220607_100009814608 [0,1,0,1,0,0|1,0,0]=3 2131 B13R2.66 COc1ncc(cc1C2CC2)C 271570a_100011220607_100012353929 [0,1,0,1,0,0|1,0,0]=3 2132 B13R2.66 COc1ncc(cc1C2CC2)F 271570a_100011220607_100009828472 [0,1,0,1,0,0|1,0,0]=3 2133 B13R2.66 COc1ncc(cc1C2CC2)N 271570a_100011220607_100012351452 [0,1,0,1,0,0|1,0,0]=3 2134 B13R2.66 N#Cc1ncc(nc1C2CC2)N 271570a_100011220607_100000099870 [0,1,0,1,0,0|2,0,0]=4 2135 B13R2.2082 COc1cc(ccc1C2CC2)Br 271570a_100011220607_100010245111 [0,1,0,1,0,0|2,0,0]=4 2136 B13R2.2082 COc1cc(ccc1C2CC2)C 271570a_100011220607_100010200004 [0,1,0,1,0,0|2,0,0]=4 2137 B13R2.2082 COc1cc(ccc1C2CC2)Cl 271570a_100011220607_100000050115 [0,1,0,1,0,0|2,0,0]=4 2138 B13R2.2082 COc1cc(ccc1C2CC2)F 271570a_100011220607_100000757151 [0,1,0,1,0,0|2,0,0]=4 2139 B13R2.2082 COc1cc(ccc1C2CC2)N 271570a_100011220607_100000765947 [0,1,0,1,0,0|2,0,0]=4 2140 B13R2.2082 COc1cc(ccc1C2CC2)O 271570a_100011220607_100011827694 [0,1,0,1,0,0|2,0,0]=4 2141 B13R2.2082 COc1cc(cnc1C2CC2)C 271570a_100011220607_200000118316 [0,1,0,1,0,0|1,0,0]=3 2142 B13R2.2082 COc1cc(cnc1C2CC2)F 271570a_100011220607_100009867738 [0,1,0,1,0,0|1,0,0]=3 2143 B13R2.2082 COc1cc(cnc1C2CC2)N 271570a_100011220607_100000097218 [0,1,0,1,0,0|1,0,0]=3 2144 B13R2.2082 COc1nc(ccc1C2CC2)C 271570a_100011220607_100010138632 [0,1,0,1,0,0|1,0,0]=3 2145 B13R2.2082 COc1nc(ccc1C2CC2)N 271570a_100011220607_100010187630 [0,1,0,1,0,0|1,0,0]=3 2146 B13R2.2082 COc1nc(cnc1C2CC2)Br 271570a_100011220607_100010214903 [0,1,0,1,0,0|0,0,0]=2 2147 B13R2.2082 COc1nc(cnc1C2CC2)N 271570a_100011220607_100010128448 [0,1,0,1,0,0|0,0,0]=2 2148 B13R2.2082 COc1nc(ncc1C2CC2)N 271570a_100011220607_100010240410 [0,1,0,1,0,0|2,0,0]=4 2149 B13R2.2082 CSc1cc(cnc1C2CC2)C 271570a_100011220607_100010884634 [0,1,0,1,0,0|1,1,0]=4 2150 B13R2.3108 CC1(CNc2c1ncc(c2)O)C 271570a_203496583355_100010744808 [0,1,0,1,0,0|2,0,0]=4 2151 B13R2.5179 CN1CCOc2c1ncc(c2)O 271570a_203496583355_100009816925 [0,1,0,1,0,0|2,0,0]=4 2152 B13R2.1613 CNC1CCCc2c1cccn2 269862a_106832991636_100000058033 [0,1,0,1,0,0|2,0,0]=4 2153 B13R2.1613 CNC1CCCc2c1nccc2 2230a_100011259139_200000210301 [0,1,0,1,0,0|2,0,0]=4 2154 B13R2.1613 CNC1CCCc2c1nccc2 269862a_106832991636_100000067617 [0,1,0,1,0,0|2,0,0]=4 2155 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,1,0,1,0,0|2,0,0]=4 2156 B13R2.1613 CNC1CCOc2c1nccc2 2230a_100009852857_200000210301 [0,1,0,1,0,0|1,0,0]=3 2157 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,1,0,1,0,0|2,0,0]=4 2158 B13R2.1613 [13CH3]NC1CCCc2c1nccc2 2230a_100011259139_200025704644 [0,1,0,1,0,0|2,0,0]=4 2159 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,1,0,1,0,0|2,0,0]=4 2160 B13R2.1613 [13CH3]NC1CCOc2c1nccc2 2230a_100009852857_200025704644 [0,1,0,1,0,0|1,0,0]=3 2161 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,1,0,1,0,0|2,0,0]=4 2162 B13R2.2528 CCc1nccnc1N2CCC2 27a_100000754969_100011995844 [0,1,0,1,0,0|2,0,0]=4 2163 B13R2.2528 COc1nccnc1N2CCC2 27a_100000754969_100009858322 [0,1,0,1,0,0|1,0,0]=3 2164 B13R2.2615 COc1c(cccc1C2CC2)Br 271570a_100011220607_100010146560 [0,1,0,1,0,0|2,0,0]=4 2165 B13R2.2615 COc1c(cccc1C2CC2)Br 34a_100010664954_200000210301 [0,1,0,1,0,0|2,0,0]=4 2166 B13R2.2615 COc1c(cccc1C2CC2)Br 7a_100010664954_200000210301 [0,1,0,1,0,0|2,0,0]=4 2167 B13R2.2615 COc1c(cccc1C2CC2)C 271570a_100011220607_100010141385 [0,1,0,1,0,0|2,0,0]=4 2168 B13R2.2615 COc1c(cccc1C2CC2)Cl 271570a_100011220607_100010147678 [0,1,0,1,0,0|2,0,0]=4 2169 B13R2.2615 COc1c(cccc1C2CC2)F 271570a_100011220607_100009816759 [0,1,0,1,0,0|2,0,0]=4 2170 B13R2.2615 COc1c(cccc1C2CC2)F 34a_100010673447_200000210301 [0,1,0,1,0,0|2,0,0]=4 2171 B13R2.2615 COc1c(cccc1C2CC2)F 7a_100010673447_200000210301 [0,1,0,1,0,0|2,0,0]=4 2172 B13R2.2615 COc1c(cccc1C2CC2)N 271570a_100011220607_100011935253 [0,1,0,1,0,0|2,0,0]=4 2173 B13R2.2615 COc1c(cccc1C2CC2)O 271570a_100011220607_100010234590 [0,1,0,1,0,0|2,0,0]=4 2174 B13R2.2615 COc1c(ccnc1C2CC2)N 271570a_100011220607_100000104429 [0,1,0,1,0,0|1,0,0]=3 2175 B13R2.2615 COc1c(ccnc1C2CC2)O 271570a_100011220607_100000104430 [0,1,0,1,0,0|1,0,0]=3 2176 B13R2.2615 COc1c(ncnc1C2CC2)N 271570a_100011220607_100011998528 [0,1,0,1,0,0|2,0,0]=4 2177 B13R2.2615 [13CH3]Oc1c(cccc1C2CC2)Br 34a_100010664954_200025704644 [0,1,0,1,0,0|2,0,0]=4 2178 B13R2.2615 [13CH3]Oc1c(cccc1C2CC2)Br 7a_100010664954_200025704644 [0,1,0,1,0,0|2,0,0]=4 2179 B13R2.2615 [13CH3]Oc1c(cccc1C2CC2)F 34a_100010673447_200025704644 [0,1,0,1,0,0|2,0,0]=4 2180 B13R2.2615 [13CH3]Oc1c(cccc1C2CC2)F 7a_100010673447_200025704644 [0,1,0,1,0,0|2,0,0]=4 2181 B13R2.5514 C=C(C)c1ncccc1C2CC2 271570a_100000694244_100009851976 [0,1,0,1,0,0|2,0,0]=4 2182 B13R2.5514 CC(=O)c1cccnc1C2CC2 271570a_100011220607_100000753718 [0,1,0,1,0,0|2,0,0]=4 2183 B13R2.5514 CC(=O)c1ncccc1C2CC2 271570a_100011220607_100012348690 [0,1,0,1,0,0|2,0,0]=4 2184 B13R2.5514 CC(=O)c1nccnc1C2CC2 271570a_100011220607_100000099859 [0,1,0,1,0,0|1,0,0]=3 2185 B13R2.5514 CC(C)c1cccnc1C2CC2 271570a_100011220607_200010382935 [0,1,0,1,0,0|2,0,0]=4 2186 B13R2.5514 CC(N)c1ncccc1C2CC2 271570a_100011220607_100159271932 [0,1,0,1,0,0|2,0,0]=4 2187 B13R2.5514 CC(O)c1cccnc1C2CC2 271570a_100011220607_100009865335 [0,1,0,1,0,0|2,0,0]=4 2188 B13R2.5514 CN(C)c1ncccc1C2CC2 271570a_100011220607_100011465059 [0,1,0,1,0,0|2,0,0]=4 2189 B13R2.5514 CN(C)c1nccnc1C2CC2 271570a_100011220607_100000703087 [0,1,0,1,0,0|1,0,0]=3 2190 B13R2.5514 C[C@H](O)c1ncccc1C2CC2 271570a_100011220607_100013325542 [0,1,0,1,0,0|2,0,0]=4 2191 B13R2.5514 NC(=O)c1nccnc1C2CC2 271570a_100011220607_100000094861 [0,1,0,1,0,0|2,0,0]=4 2192 B13R2.268 CC=Cc1ncccc1C2CC2 271570a_100016259895_100009851976 [0,1,0,1,0,0|2,0,0]=4 2193 B13R2.268 CCOc1ccccc1C2CC2 271570a_100011220607_100000230754 [0,1,0,1,0,0|2,0,0]=4 2194 B13R2.268 CCOc1cccnc1C2CC2 271570a_100011220607_100011597540 [0,1,0,1,0,0|1,0,0]=3 2195 B13R2.268 CCOc1ncccc1C2CC2 271570a_100011220607_100011465154 [0,1,0,1,0,0|1,0,0]=3 2196 B13R2.268 CCOc1nccnc1C2CC2 271570a_100011220607_200010128176 [0,1,0,1,0,0|0,0,0]=2 2197 B13R2.268 CCSc1ncccc1C2CC2 62a_100000210202_100009851976 [0,1,0,1,0,0|1,1,0]=4 2198 B13R2.268 CCSc1ncccc1C2CC2 62a_200009850273_100000210202 [0,1,0,1,0,0|1,1,0]=4 2199 B13R2.268 CNCc1cccnc1C2CC2 271570a_100011220607_103496529121 [0,1,0,1,0,0|2,0,0]=4 2200 B13R2.268 COCc1ccccc1C2CC2 271570a_100011220607_100011493684 [0,1,0,1,0,0|2,0,0]=4 2201 B13R2.268 COCc1ccccc1C2CC2 34a_100012675891_200000210301 [0,1,0,1,0,0|2,0,0]=4 2202 B13R2.268 COCc1ccccc1C2CC2 7a_100012675891_200000210301 [0,1,0,1,0,0|2,0,0]=4 2203 B13R2.268 FCSc1ncccc1C2CC2 62a_100015361967_100009851976 [0,1,0,1,0,0|1,1,0]=4 2204 B13R2.268 FCSc1ncccc1C2CC2 62a_200009850273_100015361967 [0,1,0,1,0,0|1,1,0]=4 2205 B13R2.268 [13CH3]OCc1ccccc1C2CC2 34a_100012675891_200025704644 [0,1,0,1,0,0|2,0,0]=4 2206 B13R2.268 [13CH3]OCc1ccccc1C2CC2 7a_100012675891_200025704644 [0,1,0,1,0,0|2,0,0]=4 2207 B13R2.644 COc1cccc(c1C2CC2)Br 271570a_100011220607_100010131421 [0,1,0,1,0,0|2,0,0]=4 2208 B13R2.644 COc1cccc(c1C2CC2)F 271570a_100011220607_100000041735 [0,1,0,1,0,0|2,0,0]=4 2209 B13R2.644 COc1cccc(c1C2CC2)N 271570a_100011220607_100000703447 [0,1,0,1,0,0|2,0,0]=4 2210 B13R2.644 COc1cccc(c1C2CC2)O 271570a_100011220607_100010202623 [0,1,0,1,0,0|2,0,0]=4 2211 B13R2.644 COc1nccc(c1C2CC2)C 271570a_100011220607_100012353928 [0,1,0,1,0,0|1,0,0]=3 2212 B13R2.644 COc1nccc(c1C2CC2)N 271570a_100011220607_100010243811 [0,1,0,1,0,0|1,0,0]=3 2213 B13R2.644 COc1ncnc(c1C2CC2)C 271570a_100011220607_100010110394 [0,1,0,1,0,0|2,0,0]=4 2214 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [1,0,0,0,1,0|1,1,0]=4 2215 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [1,0,0,0,1,0|1,1,0]=4 2216 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [1,0,0,0,1,0|1,1,0]=4 2217 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [1,0,0,0,1,0|1,1,0]=4 2218 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [1,0,0,0,1,0|1,1,0]=4 2219 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [1,0,0,0,1,0|1,1,0]=4 2220 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [1,0,0,0,1,0|1,1,0]=4 2221 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [1,0,0,0,1,0|1,1,0]=4 2222 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [1,0,0,0,1,0|1,0,0]=3 2223 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [1,0,0,0,1,0|1,0,0]=3 2224 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [1,0,0,0,1,0|1,1,0]=4 2225 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [1,0,0,0,1,0|1,1,0]=4 2226 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [1,0,0,0,1,0|1,1,0]=4 2227 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [1,0,0,0,1,0|1,1,0]=4 2228 B9R1.14 CCn1ncnc1NC 27a_100102657272_100009879425 [1,0,0,0,1,0|2,0,0]=4 2229 B9R1.14 CCn1ncnc1SC 62a_100009879425_200000210301 [1,0,0,0,1,0|1,1,0]=4 2230 B9R1.14 CCn1ncnc1SC 62a_200000210301_100009879425 [1,0,0,0,1,0|1,1,0]=4 2231 B9R1.14 CCn1ncnc1S[13CH3] 62a_100009879425_200025704644 [1,0,0,0,1,0|1,1,0]=4 2232 B9R1.14 CCn1ncnc1S[13CH3] 62a_200025704644_100009879425 [1,0,0,0,1,0|1,1,0]=4 2233 B9R1.14 COc1n[nH]cc1SC 62a_200000210301_100010982843 [1,0,0,0,1,0|2,0,0]=4 2234 B9R1.14 COc1n[nH]cc1S[13CH3] 62a_200025704644_100010982843 [1,0,0,0,1,0|2,0,0]=4 2235 B9R1.41 CC(C)c1[nH]ncc1O 271570a_203496583355_100000690187 [1,0,0,0,1,0|1,0,1]=4 2236 B9R1.41 CC(C)n1ccnc1O 271570a_203496583355_100009820211 [1,0,0,0,1,0|1,0,0]=3 2237 B9R1.41 CC(C)n1nccc1O 271570a_203496583355_100010264481 [1,0,0,0,1,0|1,0,0]=3 2238 B9R1.41 CC(C)n1ncnc1O 271570a_203496583355_100009989917 [1,0,0,0,1,0|1,0,0]=3 2239 B9R1.41 CN(C)c1ncnn1C 27a_100102631434_100000732653 [1,0,0,0,1,0|2,0,0]=4 2240 B13R1.90 C=C(C)CNc1nccnc1OC 27a_100000765925_100009858322 [0,0,0,0,0,2|0,0,2]=4 2241 B13R1.90 C=C(C)CSc1nccnc1OC 62a_100000748629_100000749998 [0,0,0,0,0,2|0,0,2]=4 2242 B13R1.90 C=C(C)CSc1nccnc1OC 62a_100009858322_100000211660 [0,0,0,0,0,2|0,0,2]=4 2243 B13R1.90 CC(C)C=Cc1nccnc1C#N 271570a_100016257149_100000040484 [0,0,0,0,0,2|2,0,0]=4 2244 B13R1.90 CC(C)C=Cc1nccnc1CN 271570a_100016257149_100000729963 [0,0,0,0,0,2|2,0,0]=4 2245 B13R1.90 CC(C)C=Cc1nccnc1CO 271570a_100016257149_100000057004 [0,0,0,0,0,2|2,0,0]=4 2246 B13R1.90 CC(C)C=Cc1nccnc1NN 271570a_100016257149_100000755098 [0,0,0,0,0,2|2,0,0]=4 2247 B13R1.90 CC(C)CNc1nccnc1C#N 27a_100000210953_100000040484 [0,0,0,0,0,2|2,0,0]=4 2248 B13R1.90 CC(C)CSc1nccnc1C#N 62a_100000210624_100000040484 [0,0,0,0,0,2|2,0,0]=4 2249 B13R1.90 CC(C)CSc1nccnc1C=O 62a_100000051000_100000210760 [0,0,0,0,0,2|2,0,0]=4 2250 B13R1.90 CC(C)CSc1nccnc1C=O 62a_100000210624_100000051000 [0,0,0,0,0,2|2,0,0]=4 2251 B13R1.90 CC(C)CSc1nccnc1CN 62a_100000210624_100000729963 [0,0,0,0,0,2|2,0,0]=4 2252 B13R1.90 CC(C)CSc1nccnc1CN 62a_100000729963_100000210760 [0,0,0,0,0,2|2,0,0]=4 2253 B13R1.90 CC(C)CSc1nccnc1CO 62a_100000057004_100000210760 [0,0,0,0,0,2|2,0,0]=4 2254 B13R1.90 CC(C)CSc1nccnc1CO 62a_100000210624_100000057004 [0,0,0,0,0,2|2,0,0]=4 2255 B13R1.90 CC(C)CSc1nccnc1NN 62a_100000210624_100000755098 [0,0,0,0,0,2|2,0,0]=4 2256 B13R1.90 CCc1ncccc1C=CC(C)C 271570a_100016257149_100009877225 [0,0,0,0,0,2|2,0,0]=4 2257 B13R1.90 CCc1ncccc1SCC(C)C 62a_100000210624_100009877225 [0,0,0,0,0,2|2,0,0]=4 2258 B13R1.90 CCc1ncccc1SCC(C)C 62a_100009877225_100000210760 [0,0,0,0,0,2|2,0,0]=4 2259 B13R1.90 CCc1nccnc1C=CC(C)C 271570a_100016257149_100011995844 [0,0,0,0,0,2|1,0,0]=3 2260 B13R1.90 CCc1nccnc1C=CC(C)O 271570a_200011019289_100011995844 [0,0,0,0,0,2|2,0,0]=4 2261 B13R1.90 CCc1nccnc1NCC(C)C 27a_100000210953_100011995844 [0,0,0,0,0,2|1,0,0]=3 2262 B13R1.90 CCc1nccnc1NCC(C)O 27a_100000210904_100011995844 [0,0,0,0,0,2|2,0,0]=4 2263 B13R1.90 CCc1nccnc1SCC(C)C 62a_100000210624_100011995844 [0,0,0,0,0,2|1,0,0]=3 2264 B13R1.90 CCc1nccnc1SCC(C)C 62a_100011995844_100000210760 [0,0,0,0,0,2|1,0,0]=3 2265 B13R1.90 CCc1nccnc1SCC(C)O 62a_100011218427_100011995844 [0,0,0,0,0,2|2,0,0]=4 2266 B13R1.90 CCc1nccnc1SCC(C)O 62a_100011995844_100011218427 [0,0,0,0,0,2|2,0,0]=4 2267 B13R1.90 CCc1nccnc1SC[C@@H](C)O 62a_100009817552_100011995844 [0,0,0,0,0,2|2,0,0]=4 2268 B13R1.90 CCc1nccnc1SC[C@@H](C)O 62a_100011995844_100009817552 [0,0,0,0,0,2|2,0,0]=4 2269 B13R1.90 CNc1cccnc1C=CC(C)C 271570a_100016257149_200011806188 [0,0,0,0,0,2|2,0,0]=4 2270 B13R1.90 CNc1cccnc1SCC(C)C 62a_100000210624_200011806188 [0,0,0,0,0,2|2,0,0]=4 2271 B13R1.90 CNc1ncccc1C=CC(C)C 271570a_100016257149_100000700899 [0,0,0,0,0,2|2,0,0]=4 2272 B13R1.90 CNc1ncccc1SCC(C)C 62a_100000210624_100000700899 [0,0,0,0,0,2|2,0,0]=4 2273 B13R1.90 CNc1ncccc1SCC(C)C 62a_100000700899_100000210760 [0,0,0,0,0,2|2,0,0]=4 2274 B13R1.90 CNc1nccnc1C=CC(C)C 271570a_100016257149_100011529439 [0,0,0,0,0,2|1,0,0]=3 2275 B13R1.90 CNc1nccnc1C=CC(C)O 271570a_200011019289_100011529439 [0,0,0,0,0,2|2,0,0]=4 2276 B13R1.90 CNc1nccnc1SCC(C)C 62a_100000210624_100011529439 [0,0,0,0,0,2|1,0,0]=3 2277 B13R1.90 CNc1nccnc1SCC(C)O 62a_100011218427_100011529439 [0,0,0,0,0,2|2,0,0]=4 2278 B13R1.90 CNc1nccnc1SC[C@@H](C)O 62a_100009817552_100011529439 [0,0,0,0,0,2|2,0,0]=4 2279 B13R1.90 COc1ccccc1C=CC(C)C 271570a_100016257149_100000174000 [0,0,0,0,0,2|2,0,0]=4 2280 B13R1.90 COc1ccccc1CNC(C)C 207a_100138425928_100000169842 [0,0,0,0,0,2|2,0,0]=4 2281 B13R1.90 COc1ccccc1CNC(C)C 2230a_100138425928_100000210004 [0,0,0,0,0,2|2,0,0]=4 2282 B13R1.90 COc1ccccc1CNC(C)C 34a_100000188900_100000210206 [0,0,0,0,0,2|2,0,0]=4 2283 B13R1.90 COc1ccccc1CNC(C)C 34a_100138425928_100000210004 [0,0,0,0,0,2|2,0,0]=4 2284 B13R1.90 COc1ccccc1COC(C)C 34a_100000211301_100000210206 [0,0,0,0,0,2|2,0,0]=4 2285 B13R1.90 COc1ccccc1COC(C)C 34a_100000212225_100000210004 [0,0,0,0,0,2|2,0,0]=4 2286 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210004_100000210206 [0,0,0,0,0,2|2,0,0]=4 2287 B13R1.90 COc1ccccc1CSC(C)C 62a_100000210206_100000210004 [0,0,0,0,0,2|2,0,0]=4 2288 B13R1.90 COc1ccccc1NCC(C)C 34a_100000210025_100000210624 [0,0,0,0,0,2|2,0,0]=4 2289 B13R1.90 COc1ccccc1OCC(C)C 34a_100000210385_100000210624 [0,0,0,0,0,2|2,0,0]=4 2290 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210334_100000210760 [0,0,0,0,0,2|2,0,0]=4 2291 B13R1.90 COc1ccccc1SCC(C)C 62a_100000210624_100000210334 [0,0,0,0,0,2|2,0,0]=4 2292 B13R1.90 COc1cccnc1C=CC(C)C 271570a_100016257149_100000690851 [0,0,0,0,0,2|1,0,0]=3 2293 B13R1.90 COc1cccnc1C=CC(C)O 271570a_200011019289_100000690851 [0,0,0,0,0,2|2,0,0]=4 2294 B13R1.90 COc1cccnc1CNC(C)C 207a_100138425928_100011912573 [0,0,0,0,0,2|1,0,0]=3 2295 B13R1.90 COc1cccnc1COC(C)C 34a_100011998681_100000210206 [0,0,0,0,0,2|1,0,0]=3 2296 B13R1.90 COc1cccnc1OCC(C)C 34a_100025773188_100000210624 [0,0,0,0,0,2|1,0,0]=3 2297 B13R1.90 COc1cccnc1OCC(C)O 34a_100025773188_100011218427 [0,0,0,0,0,2|2,0,0]=4 2298 B13R1.90 COc1cccnc1OC[C@@H](C)O 34a_100025773188_100009817552 [0,0,0,0,0,2|2,0,0]=4 2299 B13R1.90 COc1cccnc1SCC(C)C 62a_100000210624_100000690851 [0,0,0,0,0,2|1,0,0]=3 2300 B13R1.90 COc1cccnc1SCC(C)C 62a_100000767102_100000210760 [0,0,0,0,0,2|1,0,0]=3 2301 B13R1.90 COc1cccnc1SCC(C)O 62a_100000767102_100011218427 [0,0,0,0,0,2|2,0,0]=4 2302 B13R1.90 COc1cccnc1SCC(C)O 62a_100011218427_100000690851 [0,0,0,0,0,2|2,0,0]=4 2303 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100000767102_100009817552 [0,0,0,0,0,2|2,0,0]=4 2304 B13R1.90 COc1cccnc1SC[C@@H](C)O 62a_100009817552_100000690851 [0,0,0,0,0,2|2,0,0]=4 2305 B13R1.90 COc1cncnc1C=CC(C)C 271570a_100016257149_100012001275 [0,0,0,0,0,2|2,0,0]=4 2306 B13R1.90 COc1cncnc1NCC(C)C 27a_100000210953_100012001275 [0,0,0,0,0,2|2,0,0]=4 2307 B13R1.90 COc1cncnc1SCC(C)C 62a_100000210624_100012001275 [0,0,0,0,0,2|2,0,0]=4 2308 B13R1.90 COc1cncnc1SCC(C)C 62a_100012001275_100000210760 [0,0,0,0,0,2|2,0,0]=4 2309 B13R1.90 COc1ncccc1C=CC(C)C 271570a_100016257149_100000047025 [0,0,0,0,0,2|1,0,0]=3 2310 B13R1.90 COc1ncccc1C=CC(C)O 271570a_200011019289_100000047025 [0,0,0,0,0,2|2,0,0]=4 2311 B13R1.90 COc1ncccc1CNC(C)C 207a_100138425928_100011290804 [0,0,0,0,0,2|1,0,0]=3 2312 B13R1.90 COc1ncccc1CNC(C)C 2230a_100138425928_100020631285 [0,0,0,0,0,2|1,0,0]=3 2313 B13R1.90 COc1ncccc1CNC(C)C 34a_100138425928_100020631285 [0,0,0,0,0,2|1,0,0]=3 2314 B13R1.90 COc1ncccc1COC(C)C 34a_100000212225_100020631285 [0,0,0,0,0,2|1,0,0]=3 2315 B13R1.90 COc1ncccc1COC(C)C 34a_100000717863_100000210206 [0,0,0,0,0,2|1,0,0]=3 2316 B13R1.90 COc1ncccc1CSC(C)C 62a_100000210206_100020631285 [0,0,0,0,0,2|1,0,0]=3 2317 B13R1.90 COc1ncccc1CSC(C)C 62a_100020631285_100000210206 [0,0,0,0,0,2|1,0,0]=3 2318 B13R1.90 COc1ncccc1OCC(C)C 34a_100000698397_100000210624 [0,0,0,0,0,2|1,0,0]=3 2319 B13R1.90 COc1ncccc1OCC(C)C 7a_100000698397_100000210760 [0,0,0,0,0,2|1,0,0]=3 2320 B13R1.90 COc1ncccc1OCC(C)O 34a_100000698397_100011218427 [0,0,0,0,0,2|2,0,0]=4 2321 B13R1.90 COc1ncccc1OCC(C)O 7a_100000698397_100011218427 [0,0,0,0,0,2|2,0,0]=4 2322 B13R1.90 COc1ncccc1OC[C@@H](C)O 34a_100000698397_100009817552 [0,0,0,0,0,2|2,0,0]=4 2323 B13R1.90 COc1ncccc1OC[C@@H](C)O 7a_100000698397_100009817552 [0,0,0,0,0,2|2,0,0]=4 2324 B13R1.90 COc1ncccc1SCC(C)C 62a_100000047025_100000210760 [0,0,0,0,0,2|1,0,0]=3 2325 B13R1.90 COc1ncccc1SCC(C)C 62a_100000210624_100000047025 [0,0,0,0,0,2|1,0,0]=3 2326 B13R1.90 COc1ncccc1SCC(C)O 62a_100000047025_100011218427 [0,0,0,0,0,2|2,0,0]=4 2327 B13R1.90 COc1ncccc1SCC(C)O 62a_100011218427_100000047025 [0,0,0,0,0,2|2,0,0]=4 2328 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100000047025_100009817552 [0,0,0,0,0,2|2,0,0]=4 2329 B13R1.90 COc1ncccc1SC[C@@H](C)O 62a_100009817552_100000047025 [0,0,0,0,0,2|2,0,0]=4 2330 B13R1.90 COc1nccnc1C=CC(C)C 271570a_100016257149_100000749998 [0,0,0,0,0,2|0,0,0]=2 2331 B13R1.90 COc1nccnc1C=CC(C)O 271570a_200011019289_100000749998 [0,0,0,0,0,2|1,0,0]=3 2332 B13R1.90 COc1nccnc1NCC(C)C 27a_100000210953_100009858322 [0,0,0,0,0,2|0,0,0]=2 2333 B13R1.90 COc1nccnc1NCC(C)O 27a_100000210904_100009858322 [0,0,0,0,0,2|1,0,0]=3 2334 B13R1.90 COc1nccnc1NCC(F)F 27a_100000765723_100009858322 [0,0,0,0,0,2|2,0,0]=4 2335 B13R1.90 COc1nccnc1NNC(=O)C 22a_100000702116_100000070787 [0,0,0,0,0,2|1,0,1]=4 2336 B13R1.90 COc1nccnc1SCC(C)C 62a_100000210624_100000749998 [0,0,0,0,0,2|0,0,0]=2 2337 B13R1.90 COc1nccnc1SCC(C)C 62a_100009858322_100000210760 [0,0,0,0,0,2|0,0,0]=2 2338 B13R1.90 COc1nccnc1SCC(C)O 62a_100009858322_100011218427 [0,0,0,0,0,2|1,0,0]=3 2339 B13R1.90 COc1nccnc1SCC(C)O 62a_100011218427_100000749998 [0,0,0,0,0,2|1,0,0]=3 2340 B13R1.90 COc1nccnc1SCC(F)F 62a_100009858322_100011934356 [0,0,0,0,0,2|2,0,0]=4 2341 B13R1.90 COc1nccnc1SCC(F)F 62a_100011934356_100000749998 [0,0,0,0,0,2|2,0,0]=4 2342 B13R1.90 COc1nccnc1SC[C@@H](C)O 62a_100009817552_100000749998 [0,0,0,0,0,2|1,0,0]=3 2343 B13R1.90 COc1nccnc1SC[C@@H](C)O 62a_100009858322_100009817552 [0,0,0,0,0,2|1,0,0]=3 2344 B13R1.90 COc1ncncc1C=CC(C)C 271570a_100016257149_100000719902 [0,0,0,0,0,2|2,0,0]=4 2345 B13R1.90 COc1ncncc1SCC(C)C 62a_100000210624_100000719902 [0,0,0,0,0,2|2,0,0]=4 2346 B13R1.90 COc1ncncc1SCC(C)C 62a_100000719902_100000210760 [0,0,0,0,0,2|2,0,0]=4 2347 B13R1.90 CSc1ncccc1C=CC(C)C 271570a_100016257149_100011465278 [0,0,0,0,0,2|1,1,0]=4 2348 B13R1.90 CSc1ncccc1SCC(C)C 62a_100000210624_100011465278 [0,0,0,0,0,2|1,1,0]=4 2349 B13R1.90 CSc1ncccc1SCC(C)C 62a_100011465278_100000210760 [0,0,0,0,0,2|1,1,0]=4