0 B12R1.283 C=C(C)c1ccccc1OCC 271570a_100000694244_100000230754 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.283 C=C(C)c1cccnc1OCC 271570a_100000694244_100011465154 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.283 C=C(C)c1ncccc1OCC 271570a_100000694244_100011597540 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.283 C=C(C)c1nccnc1OCC 271570a_100000694244_200010128176 [0,0,0,0,0,0|0,0,2]=2 4 B12R1.283 C=C=Cc1ncccc1C(C)C 271570a_100015277604_200010382935 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.283 C=C=Cc1nccnc1N(C)C 271570a_100015277604_100000703087 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.283 CC(=O)c1ncccc1OCF 34a_100000087166_100015361967 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.283 CC(=O)c1ncccc1OCF 7a_100000087166_100015361967 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.283 CC(=O)c1nccnc1SCF 62a_100000099859_100015361967 [0,0,0,0,0,0|2,1,1]=4 9 B12R1.283 CC(=O)c1nccnc1SCF 62a_100015361967_100000099859 [0,0,0,0,0,0|2,1,1]=4 10 B12R1.283 CC(C)c1ccccc1NCF 34a_100000210643_100015361967 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.283 CC(C)c1ccccc1NCF 7a_100000210643_100015361967 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.283 CC(C)c1ccccc1OCF 34a_100000211617_100015361967 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.283 CC(C)c1ccccc1OCF 7a_100000211617_100015361967 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.283 CC(C)c1ccccc1SCF 62a_100000708600_100015361967 [0,0,0,0,0,0|3,1,0]=4 15 B12R1.283 CC(C)c1ccccc1SCF 62a_100015361967_100000708600 [0,0,0,0,0,0|3,1,0]=4 16 B12R1.283 CC(C)c1cccnc1CO[13CH3] 34a_200009878718_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200025704644_200134614246 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.283 CC(C)c1cccnc1CS[13CH3] 62a_200134614246_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.283 CC(C)c1cccnc1SCF 62a_100015361967_200010382935 [0,0,0,0,0,0|2,1,0]=3 20 B12R1.283 CC(C)c1cccnc1SCF 62a_200010382935_100015361967 [0,0,0,0,0,0|2,1,0]=3 21 B12R1.283 CC(C)c1ncccc1OCF 34a_100012183336_100015361967 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.283 CC(C)c1ncccc1OCF 7a_100012183336_100015361967 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.283 CC(C)c1ncncc1SCF 62a_100009816988_100015361967 [0,0,0,0,0,0|3,1,0]=4 24 B12R1.283 CC(C)c1ncncc1SCF 62a_100015361967_100009816988 [0,0,0,0,0,0|3,1,0]=4 25 B12R1.283 CC(N)c1ncccc1SCF 62a_100015361967_100159271932 [0,0,0,0,0,0|3,1,0]=4 26 B12R1.283 CC(N)c1ncccc1SCF 62a_100159271932_100015361967 [0,0,0,0,0,0|3,1,0]=4 27 B12R1.283 CC(O)c1ccccc1OCF 34a_200011232679_100015361967 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.283 CC(O)c1ccccc1OCF 7a_200011232679_100015361967 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.283 CC(O)c1cccnc1SCF 62a_100009865335_100015361967 [0,0,0,0,0,0|3,1,0]=4 30 B12R1.283 CC(O)c1cccnc1SCF 62a_100015361967_100009865335 [0,0,0,0,0,0|3,1,0]=4 31 B12R1.283 CC=Cc1ccccc1C(C)C 271570a_100016259895_100011218076 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.283 CC=Cc1cccnc1C(C)N 271570a_100016259895_100159271932 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.283 CC=Cc1cccnc1N(C)C 271570a_100016259895_100011465059 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.283 CC=Cc1cccnc1[C@H](C)O 271570a_100016259895_100013325542 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.283 CC=Cc1cncnc1C(C)C 271570a_100016259895_100009816988 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.283 CC=Cc1ncccc1C(C)C 271570a_100016259895_200010382935 [0,0,0,0,0,0|2,0,1]=3 37 B12R1.283 CC=Cc1ncccc1C(C)O 271570a_100016259895_100009865335 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.283 CC=Cc1nccnc1C(=O)C 271570a_100016259895_100000099859 [0,0,0,0,0,0|2,0,2]=4 39 B12R1.283 CC=Cc1nccnc1N(C)C 271570a_100016259895_100000703087 [0,0,0,0,0,0|2,0,1]=3 40 B12R1.283 CCCc1ncncc1N(C)C 27a_100102631434_100009816987 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.283 CCNc1ccccc1C(C)C 2230a_100000210643_100000210202 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.283 CCNc1ccccc1C(C)C 34a_100000210643_100000210202 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.283 CCNc1ccccc1C(C)C 7a_100000210643_100000210202 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.283 CCNc1ccccc1C(C)O 2230a_100011405641_100000210202 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.283 CCNc1cncnc1C(C)C 27a_100015525214_100009816988 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.283 CCNc1ncccc1C(=O)C 27a_100015525214_100009816689 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.283 CCNc1nccnc1C(=O)C 27a_100015525214_100000099859 [0,0,0,0,0,0|2,0,1]=3 48 B12R1.283 CCNc1nccnc1C(=O)N 27a_100015525214_100000094861 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.283 CCNc1nccnc1N(C)C 27a_100015525214_100000703087 [0,0,0,0,0,0|2,0,0]=2 50 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [0,0,0,0,0,0|3,0,1]=4 51 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [0,0,0,0,0,0|3,0,1]=4 52 B12R1.283 CCOc1ccccc1C(C)C 34a_100000211617_100000210202 [0,0,0,0,0,0|2,0,0]=2 53 B12R1.283 CCOc1ccccc1C(C)C 7a_100000211617_100000210202 [0,0,0,0,0,0|2,0,0]=2 54 B12R1.283 CCOc1ccccc1C(C)O 34a_200011232679_100000210202 [0,0,0,0,0,0|3,0,0]=3 55 B12R1.283 CCOc1ccccc1C(C)O 7a_200011232679_100000210202 [0,0,0,0,0,0|3,0,0]=3 56 B12R1.283 CCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210202 [0,0,0,0,0,0|3,0,0]=3 57 B12R1.283 CCOc1cccnc1C(=O)C 34a_100000087166_100000210202 [0,0,0,0,0,0|2,0,1]=3 58 B12R1.283 CCOc1cccnc1C(=O)C 7a_100000087166_100000210202 [0,0,0,0,0,0|2,0,1]=3 59 B12R1.283 CCOc1cccnc1C(=O)N 34a_200011215183_100000210202 [0,0,0,0,0,0|3,0,1]=4 60 B12R1.283 CCOc1cccnc1C(=O)N 7a_200011215183_100000210202 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.283 CCOc1cccnc1C(C)C 34a_100012183336_100000210202 [0,0,0,0,0,0|1,0,0]=1 62 B12R1.283 CCOc1cccnc1C(C)C 7a_100012183336_100000210202 [0,0,0,0,0,0|1,0,0]=1 63 B12R1.283 CCOc1cccnc1[N+](=O)[O-] 7a_100000183951_100000210202 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.283 CCOc1nccnc1C(=O)N 34a_100011830332_100000210202 [0,0,0,0,0,0|2,0,1]=3 65 B12R1.283 CCOc1nccnc1N(C)C 27a_100102631434_200010128176 [0,0,0,0,0,0|1,0,0]=1 66 B12R1.283 CCSc1ccccc1C(C)C 62a_100000210202_100000708600 [0,0,0,0,0,0|2,1,0]=3 67 B12R1.283 CCSc1ccccc1C(C)C 62a_100000708600_100000210202 [0,0,0,0,0,0|2,1,0]=3 68 B12R1.283 CCSc1ccccc1C(C)N 62a_100000181357_100000210202 [0,0,0,0,0,0|3,1,0]=4 69 B12R1.283 CCSc1ccccc1C(C)N 62a_100000210202_100000181357 [0,0,0,0,0,0|3,1,0]=4 70 B12R1.283 CCSc1ccccc1C(C)O 62a_100000210202_100000702211 [0,0,0,0,0,0|3,1,0]=4 71 B12R1.283 CCSc1ccccc1C(C)O 62a_100000702211_100000210202 [0,0,0,0,0,0|3,1,0]=4 72 B12R1.283 CCSc1ccccc1N(C)C 62a_100000210202_100011290883 [0,0,0,0,0,0|3,1,0]=4 73 B12R1.283 CCSc1ccccc1N(C)C 62a_100011290883_100000210202 [0,0,0,0,0,0|3,1,0]=4 74 B12R1.283 CCSc1cccnc1C(=O)C 62a_100000210202_100012348690 [0,0,0,0,0,0|2,1,1]=4 75 B12R1.283 CCSc1cccnc1C(=O)C 62a_100012348690_100000210202 [0,0,0,0,0,0|2,1,1]=4 76 B12R1.283 CCSc1cccnc1C(C)N 62a_100000210202_100159271932 [0,0,0,0,0,0|2,1,0]=3 77 B12R1.283 CCSc1cccnc1C(C)N 62a_100159271932_100000210202 [0,0,0,0,0,0|2,1,0]=3 78 B12R1.283 CCSc1cccnc1C(F)F 62a_100000210202_100010079810 [0,0,0,0,0,0|3,1,0]=4 79 B12R1.283 CCSc1cccnc1C(F)F 62a_100010079810_100000210202 [0,0,0,0,0,0|3,1,0]=4 80 B12R1.283 CCSc1cccnc1N(C)C 62a_100000210202_100011465059 [0,0,0,0,0,0|2,1,0]=3 81 B12R1.283 CCSc1cccnc1N(C)C 62a_100011465059_100000210202 [0,0,0,0,0,0|2,1,0]=3 82 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100000210202_100013325542 [0,0,0,0,0,0|2,1,0]=3 83 B12R1.283 CCSc1cccnc1[C@H](C)O 62a_100013325542_100000210202 [0,0,0,0,0,0|2,1,0]=3 84 B12R1.283 CCSc1cncnc1C(C)C 62a_100000210202_100009816988 [0,0,0,0,0,0|2,1,0]=3 85 B12R1.283 CCSc1cncnc1C(C)C 62a_100009816988_100000210202 [0,0,0,0,0,0|2,1,0]=3 86 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000210202_100000753718 [0,0,0,0,0,0|2,1,1]=4 87 B12R1.283 CCSc1ncccc1C(=O)C 62a_100000753718_100000210202 [0,0,0,0,0,0|2,1,1]=4 88 B12R1.283 CCSc1ncccc1C(C)C 62a_100000210202_200010382935 [0,0,0,0,0,0|1,1,0]=2 89 B12R1.283 CCSc1ncccc1C(C)C 62a_200010382935_100000210202 [0,0,0,0,0,0|1,1,0]=2 90 B12R1.283 CCSc1ncccc1C(C)O 62a_100000210202_100009865335 [0,0,0,0,0,0|2,1,0]=3 91 B12R1.283 CCSc1ncccc1C(C)O 62a_100009865335_100000210202 [0,0,0,0,0,0|2,1,0]=3 92 B12R1.283 CCSc1ncccc1C(F)F 62a_100000210202_100010136063 [0,0,0,0,0,0|3,1,0]=4 93 B12R1.283 CCSc1ncccc1C(F)F 62a_100010136063_100000210202 [0,0,0,0,0,0|3,1,0]=4 94 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000099859_100000210202 [0,0,0,0,0,0|1,1,1]=3 95 B12R1.283 CCSc1nccnc1C(=O)C 62a_100000210202_100000099859 [0,0,0,0,0,0|1,1,1]=3 96 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000094861_100000210202 [0,0,0,0,0,0|2,1,1]=4 97 B12R1.283 CCSc1nccnc1C(=O)N 62a_100000210202_100000094861 [0,0,0,0,0,0|2,1,1]=4 98 B12R1.283 CCSc1nccnc1N(C)C 62a_100000210202_100000703087 [0,0,0,0,0,0|1,1,0]=2 99 B12R1.283 CN(C)c1ncccc1SCF 62a_100011465059_100015361967 [0,0,0,0,0,0|3,1,0]=4 100 B12R1.283 CN(C)c1ncccc1SCF 62a_100015361967_100011465059 [0,0,0,0,0,0|3,1,0]=4 101 B12R1.283 CN(C)c1nccnc1SCF 62a_100015361967_100000703087 [0,0,0,0,0,0|2,1,0]=3 102 B12R1.283 CNCc1ccccc1C(C)C 207a_100102657272_100011361515 [0,0,0,0,0,0|4,0,0]=4 103 B12R1.283 CNCc1ccccc1C(C)C 26a_100102657272_100000211617 [0,0,0,0,0,0|4,0,0]=4 104 B12R1.283 CNCc1ccccc1C(C)C 270004a_106832991635_100011361515 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.283 CNCc1cccnc1N(C)C 207a_100102657272_100000731630 [0,0,0,0,0,0|4,0,0]=4 106 B12R1.283 CNCc1cccnc1N(C)C 270004a_106832991635_100000731630 [0,0,0,0,0,0|4,0,0]=4 107 B12R1.283 CNCc1ncccc1C(C)C 2230a_106832991635_200134614246 [0,0,0,0,0,0|3,0,0]=3 108 B12R1.283 CNCc1ncccc1C(C)C 34a_100102657272_200134614246 [0,0,0,0,0,0|3,0,0]=3 109 B12R1.283 CNCc1ncccc1C(C)C 7a_106832991635_200134614246 [0,0,0,0,0,0|3,0,0]=3 110 B12R1.283 COCc1ncccc1C(C)C 34a_100138415774_200134614246 [0,0,0,0,0,0|3,0,0]=3 111 B12R1.283 COCc1ncccc1C(C)C 34a_200009878718_200000210301 [0,0,0,0,0,0|3,0,0]=3 112 B12R1.283 CSCc1ncccc1C(C)C 62a_200000210301_200134614246 [0,0,0,0,0,0|3,0,0]=3 113 B12R1.283 CSCc1ncccc1C(C)C 62a_200134614246_200000210301 [0,0,0,0,0,0|3,0,0]=3 114 B12R1.283 C[C@@H](N)c1ccccc1OCF 34a_100025703389_100015361967 [0,0,0,0,0,0|4,0,0]=4 115 B12R1.283 C[C@H](O)c1ncccc1SCF 62a_100013325542_100015361967 [0,0,0,0,0,0|3,1,0]=4 116 B12R1.283 C[C@H](O)c1ncccc1SCF 62a_100015361967_100013325542 [0,0,0,0,0,0|3,1,0]=4 117 B12R1.283 NC(=O)c1nccnc1OCF 34a_100011830332_100015361967 [0,0,0,0,0,0|3,0,1]=4 118 B11R1.41 C=C=Cc1nccnc1CC 271570a_100015277604_100011995844 [1,0,0,0,0,0|1,0,2]=4 119 B11R1.41 C=Cc1cccnc1OCC 271570a_100011290941_100011465154 [1,0,0,0,0,0|1,0,2]=4 120 B11R1.41 C=Cc1ncccc1OCC 271570a_100011290941_100011597540 [1,0,0,0,0,0|1,0,2]=4 121 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [1,0,0,0,0,0|0,0,2]=3 122 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.41 CC=Cc1nccnc1CC 271570a_100016259895_100011995844 [1,0,0,0,0,0|1,0,1]=3 124 B11R1.41 CC=Cc1nccnc1CN 271570a_100016259895_100000729963 [1,0,0,0,0,0|2,0,1]=4 125 B11R1.41 CC=Cc1nccnc1CO 271570a_100016259895_100000057004 [1,0,0,0,0,0|2,0,1]=4 126 B11R1.41 CC=Cc1nccnc1NC 271570a_100016259895_100011529439 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [1,0,0,0,0,0|2,0,1]=4 128 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [1,0,0,0,0,0|3,0,0]=4 131 B11R1.41 CCNc1cncnc1CC 27a_100015525214_100009816992 [1,0,0,0,0,0|3,0,0]=4 132 B11R1.41 CCNc1nccnc1C#N 27a_100015525214_100000040484 [1,0,0,0,0,0|2,0,1]=4 133 B11R1.41 CCNc1nccnc1CC 27a_100015525214_100011995844 [1,0,0,0,0,0|1,0,0]=2 134 B11R1.41 CCNc1nccnc1OC 27a_100015525214_100009858322 [1,0,0,0,0,0|2,0,0]=3 135 B11R1.41 CCNc1ncncc1CC 27a_100015525214_200000100055 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [1,0,0,0,0,0|2,0,0]=3 137 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [1,0,0,0,0,0|2,0,0]=3 138 B11R1.41 CCOc1ccccc1CN 34a_100000185550_100000210202 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.41 CCOc1ccccc1CO 34a_100011216872_100000210202 [1,0,0,0,0,0|3,0,0]=4 140 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.41 CCOc1cccnc1C#N 34a_100000722750_100000210202 [1,0,0,0,0,0|2,0,1]=4 154 B11R1.41 CCOc1cccnc1C#N 7a_100000722750_100000210202 [1,0,0,0,0,0|2,0,1]=4 155 B11R1.41 CCOc1cccnc1CBr 34a_200020655725_100000210202 [1,0,0,0,0,0|2,0,0]=3 156 B11R1.41 CCOc1cccnc1CBr 7a_200020655725_100000210202 [1,0,0,0,0,0|2,0,0]=3 157 B11R1.41 CCOc1cccnc1CO 34a_100000731849_100000210202 [1,0,0,0,0,0|2,0,0]=3 158 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [1,0,0,0,0,0|2,0,0]=3 159 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [1,0,0,0,0,0|2,0,0]=3 160 B11R1.41 CCOc1cccnc1SC 62a_100011597540_200000210301 [1,0,0,0,0,0|2,0,0]=3 161 B11R1.41 CCOc1cccnc1SC 62a_200000210301_100011597540 [1,0,0,0,0,0|2,0,0]=3 162 B11R1.41 CCOc1cccnc1S[13CH3] 62a_100011597540_200025704644 [1,0,0,0,0,0|2,0,0]=3 163 B11R1.41 CCOc1cccnc1S[13CH3] 62a_200025704644_100011597540 [1,0,0,0,0,0|2,0,0]=3 164 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [1,0,0,0,0,0|2,0,0]=3 165 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [1,0,0,0,0,0|2,0,0]=3 166 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [1,0,0,0,0,0|2,0,0]=3 167 B11R1.41 CCOc1ncccc1SC 62a_100011465154_200000210301 [1,0,0,0,0,0|2,0,0]=3 168 B11R1.41 CCOc1ncccc1SC 62a_200000210301_100011465154 [1,0,0,0,0,0|2,0,0]=3 169 B11R1.41 CCOc1ncccc1S[13CH3] 62a_100011465154_200025704644 [1,0,0,0,0,0|2,0,0]=3 170 B11R1.41 CCOc1ncccc1S[13CH3] 62a_200025704644_100011465154 [1,0,0,0,0,0|2,0,0]=3 171 B11R1.41 CCOc1nccnc1NC 27a_100102657272_200010128176 [1,0,0,0,0,0|1,0,0]=2 172 B11R1.41 CCOc1nccnc1SC 62a_200000210301_200010128176 [1,0,0,0,0,0|1,0,0]=2 173 B11R1.41 CCOc1nccnc1SC 62a_200010128176_200000210301 [1,0,0,0,0,0|1,0,0]=2 174 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200010128176_200025704644 [1,0,0,0,0,0|1,0,0]=2 175 B11R1.41 CCOc1nccnc1S[13CH3] 62a_200025704644_200010128176 [1,0,0,0,0,0|1,0,0]=2 176 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [1,0,0,0,0,0|2,1,0]=4 177 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [1,0,0,0,0,0|2,1,0]=4 178 B11R1.41 CCSc1cccnc1CC 62a_100000210202_100009877225 [1,0,0,0,0,0|1,1,0]=3 179 B11R1.41 CCSc1cccnc1CC 62a_100009877225_100000210202 [1,0,0,0,0,0|1,1,0]=3 180 B11R1.41 CCSc1cccnc1CN 62a_100000210202_100020591323 [1,0,0,0,0,0|2,1,0]=4 181 B11R1.41 CCSc1cccnc1CN 62a_100020591323_100000210202 [1,0,0,0,0,0|2,1,0]=4 182 B11R1.41 CCSc1cccnc1CO 62a_100000210202_100011996772 [1,0,0,0,0,0|2,1,0]=4 183 B11R1.41 CCSc1cccnc1CO 62a_100011996772_100000210202 [1,0,0,0,0,0|2,1,0]=4 184 B11R1.41 CCSc1cccnc1NC 62a_100000210202_100000700899 [1,0,0,0,0,0|2,1,0]=4 185 B11R1.41 CCSc1cccnc1NC 62a_100000700899_100000210202 [1,0,0,0,0,0|2,1,0]=4 186 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [1,0,0,0,0,0|2,1,0]=4 187 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [1,0,0,0,0,0|2,1,0]=4 188 B11R1.41 CCSc1cccnc1SC 62a_100000210202_100011465278 [1,0,0,0,0,0|2,1,0]=4 189 B11R1.41 CCSc1cccnc1SC 62a_100011465278_100000210202 [1,0,0,0,0,0|2,1,0]=4 190 B11R1.41 CCSc1cncnc1CC 62a_100000210202_100009816992 [1,0,0,0,0,0|2,1,0]=4 191 B11R1.41 CCSc1cncnc1CC 62a_100009816992_100000210202 [1,0,0,0,0,0|2,1,0]=4 192 B11R1.41 CCSc1ncccc1CN 62a_100000210202_100015189234 [1,0,0,0,0,0|2,1,0]=4 193 B11R1.41 CCSc1ncccc1CN 62a_100015189234_100000210202 [1,0,0,0,0,0|2,1,0]=4 194 B11R1.41 CCSc1ncccc1CO 62a_100000210202_100000748726 [1,0,0,0,0,0|2,1,0]=4 195 B11R1.41 CCSc1ncccc1CO 62a_100000748726_100000210202 [1,0,0,0,0,0|2,1,0]=4 196 B11R1.41 CCSc1ncccc1NC 62a_100000210202_200011806188 [1,0,0,0,0,0|2,1,0]=4 197 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [1,0,0,0,0,0|2,1,0]=4 198 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [1,0,0,0,0,0|2,1,0]=4 199 B11R1.41 CCSc1nccnc1C#N 62a_100000210202_100000040484 [1,0,0,0,0,0|1,1,1]=4 200 B11R1.41 CCSc1nccnc1C=O 62a_100000051000_100000210202 [1,0,0,0,0,0|1,1,1]=4 201 B11R1.41 CCSc1nccnc1C=O 62a_100000210202_100000051000 [1,0,0,0,0,0|1,1,1]=4 202 B11R1.41 CCSc1nccnc1CC 62a_100000210202_100011995844 [1,0,0,0,0,0|0,1,0]=2 203 B11R1.41 CCSc1nccnc1CC 62a_100011995844_100000210202 [1,0,0,0,0,0|0,1,0]=2 204 B11R1.41 CCSc1nccnc1CN 62a_100000210202_100000729963 [1,0,0,0,0,0|1,1,0]=3 205 B11R1.41 CCSc1nccnc1CN 62a_100000729963_100000210202 [1,0,0,0,0,0|1,1,0]=3 206 B11R1.41 CCSc1nccnc1CO 62a_100000057004_100000210202 [1,0,0,0,0,0|1,1,0]=3 207 B11R1.41 CCSc1nccnc1CO 62a_100000210202_100000057004 [1,0,0,0,0,0|1,1,0]=3 208 B11R1.41 CCSc1nccnc1NC 62a_100000210202_100011529439 [1,0,0,0,0,0|1,1,0]=3 209 B11R1.41 CCSc1nccnc1NN 62a_100000210202_100000755098 [1,0,0,0,0,0|2,1,0]=4 210 B11R1.41 CCSc1nccnc1OC 62a_100000210202_100000749998 [1,0,0,0,0,0|1,1,0]=3 211 B11R1.41 CCSc1nccnc1OC 62a_100009858322_100000210202 [1,0,0,0,0,0|1,1,0]=3 212 B11R1.41 CCSc1ncncc1CC 62a_100000210202_200000100055 [1,0,0,0,0,0|2,1,0]=4 213 B11R1.41 CCSc1ncncc1CC 62a_200000100055_100000210202 [1,0,0,0,0,0|2,1,0]=4 214 B11R1.41 CCc1ccccc1OCF 34a_100000210936_100015361967 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.41 CCc1ccccc1OCF 7a_100000210936_100015361967 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.41 CCc1ncccc1SCF 62a_100009877225_100015361967 [1,0,0,0,0,0|2,1,0]=4 217 B11R1.41 CCc1ncccc1SCF 62a_100015361967_100009877225 [1,0,0,0,0,0|2,1,0]=4 218 B11R1.41 CCc1nccnc1SCF 62a_100011995844_100015361967 [1,0,0,0,0,0|1,1,0]=3 219 B11R1.41 CCc1nccnc1SCF 62a_100015361967_100011995844 [1,0,0,0,0,0|1,1,0]=3 220 B11R1.41 CNc1nccnc1SCF 62a_100015361967_100011529439 [1,0,0,0,0,0|2,1,0]=4 221 B11R1.41 COc1cccnc1OCF 34a_100025773188_100015361967 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.41 COc1ncccc1OCF 34a_100000698397_100015361967 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.41 COc1ncccc1OCF 7a_100000698397_100015361967 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.41 COc1nccnc1SCF 62a_100009858322_100015361967 [1,0,0,0,0,0|2,1,0]=4 225 B11R1.41 COc1nccnc1SCF 62a_100015361967_100000749998 [1,0,0,0,0,0|2,1,0]=4 226 B11R1.41 FCOc1cccnc1CBr 34a_200020655725_100015361967 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.41 FCOc1cccnc1CBr 7a_200020655725_100015361967 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.41 NCc1nccnc1SCF 62a_100000729963_100015361967 [1,0,0,0,0,0|2,1,0]=4 229 B11R1.41 NCc1nccnc1SCF 62a_100015361967_100000729963 [1,0,0,0,0,0|2,1,0]=4 230 B11R1.41 OCc1ncccc1OCF 34a_100000731849_100015361967 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.41 OCc1nccnc1SCF 62a_100000057004_100015361967 [1,0,0,0,0,0|2,1,0]=4 232 B11R1.41 OCc1nccnc1SCF 62a_100015361967_100000057004 [1,0,0,0,0,0|2,1,0]=4 233 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [1,0,0,0,0,0|1,0,2]=4 234 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [1,0,0,0,0,0|1,0,2]=4 235 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [1,0,0,0,0,0|1,0,2]=4 236 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [1,0,0,0,0,0|0,0,2]=3 237 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [1,0,0,0,0,0|1,0,2]=4 238 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [1,0,0,0,0,0|1,0,2]=4 239 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [1,0,0,0,0,0|1,0,2]=4 240 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [1,0,0,0,0,0|0,0,2]=3 241 B11R1.53 C=Cc1ncccc1C(C)C 271570a_100011290941_200010382935 [1,0,0,0,0,0|1,0,2]=4 242 B11R1.53 C=Cc1nccnc1N(C)C 271570a_100011290941_100000703087 [1,0,0,0,0,0|1,0,2]=4 243 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,0,0,0,0,0|2,0,1]=4 244 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,0,0,0,0,0|2,0,1]=4 245 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [1,0,0,0,0,0|1,1,1]=4 246 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [1,0,0,0,0,0|1,1,1]=4 247 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [1,0,0,0,0,0|3,0,0]=4 248 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [1,0,0,0,0,0|3,0,0]=4 249 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [1,0,0,0,0,0|3,0,0]=4 250 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [1,0,0,0,0,0|2,0,0]=3 251 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [1,0,0,0,0,0|2,0,0]=3 252 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [1,0,0,0,0,0|2,1,0]=4 253 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [1,0,0,0,0,0|2,1,0]=4 254 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200010382935_200025704644 [1,0,0,0,0,0|1,1,0]=3 255 B11R1.53 CC(C)c1cccnc1S[13CH3] 62a_200025704644_200010382935 [1,0,0,0,0,0|1,1,0]=3 256 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [1,0,0,0,0,0|1,0,0]=2 257 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [1,0,0,0,0,0|1,0,0]=2 258 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_100009816988_200025704644 [1,0,0,0,0,0|2,1,0]=4 259 B11R1.53 CC(C)c1ncncc1S[13CH3] 62a_200025704644_100009816988 [1,0,0,0,0,0|2,1,0]=4 260 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_100159271932_200025704644 [1,0,0,0,0,0|2,1,0]=4 261 B11R1.53 CC(N)c1ncccc1S[13CH3] 62a_200025704644_100159271932 [1,0,0,0,0,0|2,1,0]=4 262 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [1,0,0,0,0,0|3,0,0]=4 263 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [1,0,0,0,0,0|3,0,0]=4 264 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_100009865335_200025704644 [1,0,0,0,0,0|2,1,0]=4 265 B11R1.53 CC(O)c1cccnc1S[13CH3] 62a_200025704644_100009865335 [1,0,0,0,0,0|2,1,0]=4 266 B11R1.53 CCc1cncnc1N(C)C 27a_100102631434_200000100055 [1,0,0,0,0,0|3,0,0]=4 267 B11R1.53 CCc1nccnc1N(C)C 27a_100102631434_100011995844 [1,0,0,0,0,0|1,0,0]=2 268 B11R1.53 CCc1ncncc1N(C)C 27a_100102631434_100009816992 [1,0,0,0,0,0|3,0,0]=4 269 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [1,0,0,0,0,0|2,1,0]=4 270 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [1,0,0,0,0,0|2,1,0]=4 271 B11R1.53 CN(C)c1nccnc1C#N 27a_100102631434_100000040484 [1,0,0,0,0,0|2,0,1]=4 272 B11R1.53 CN(C)c1nccnc1S[13CH3] 62a_200025704644_100000703087 [1,0,0,0,0,0|1,1,0]=3 273 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [1,0,0,0,0,0|3,0,0]=4 275 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [1,0,0,0,0,0|3,0,0]=4 276 B11R1.53 CNc1cncnc1C(C)C 27a_100102657272_100009816988 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [1,0,0,0,0,0|2,0,1]=4 278 B11R1.53 CNc1nccnc1N(C)C 27a_100102657272_100000703087 [1,0,0,0,0,0|2,0,0]=3 279 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [1,0,0,0,0,0|2,0,0]=3 280 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [1,0,0,0,0,0|2,0,0]=3 281 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [1,0,0,0,0,0|3,0,0]=4 286 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [1,0,0,0,0,0|3,0,0]=4 288 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,0,0,0,0,0|2,0,1]=4 291 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,0,0,0,0,0|2,0,1]=4 292 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [1,0,0,0,0,0|1,0,0]=2 293 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [1,0,0,0,0,0|1,0,0]=2 294 B11R1.53 COc1cncnc1N(C)C 27a_100102631434_100012001275 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [1,0,0,0,0,0|2,0,1]=4 296 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [1,0,0,0,0,0|1,0,0]=2 297 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [1,0,0,0,0,0|2,1,0]=4 298 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [1,0,0,0,0,0|2,1,0]=4 299 B11R1.53 CSc1cccnc1C(C)N 62a_100159271932_200000210301 [1,0,0,0,0,0|2,1,0]=4 300 B11R1.53 CSc1cccnc1C(C)N 62a_200000210301_100159271932 [1,0,0,0,0,0|2,1,0]=4 301 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [1,0,0,0,0,0|2,1,0]=4 302 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [1,0,0,0,0,0|2,1,0]=4 303 B11R1.53 CSc1cccnc1[C@H](C)O 62a_100013325542_200000210301 [1,0,0,0,0,0|2,1,0]=4 304 B11R1.53 CSc1cccnc1[C@H](C)O 62a_200000210301_100013325542 [1,0,0,0,0,0|2,1,0]=4 305 B11R1.53 CSc1cncnc1C(C)C 62a_100009816988_200000210301 [1,0,0,0,0,0|2,1,0]=4 306 B11R1.53 CSc1cncnc1C(C)C 62a_200000210301_100009816988 [1,0,0,0,0,0|2,1,0]=4 307 B11R1.53 CSc1ncccc1C(C)C 62a_200000210301_200010382935 [1,0,0,0,0,0|1,1,0]=3 308 B11R1.53 CSc1ncccc1C(C)C 62a_200010382935_200000210301 [1,0,0,0,0,0|1,1,0]=3 309 B11R1.53 CSc1ncccc1C(C)O 62a_100009865335_200000210301 [1,0,0,0,0,0|2,1,0]=4 310 B11R1.53 CSc1ncccc1C(C)O 62a_200000210301_100009865335 [1,0,0,0,0,0|2,1,0]=4 311 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [1,0,0,0,0,0|1,1,1]=4 312 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [1,0,0,0,0,0|1,1,1]=4 313 B11R1.53 CSc1nccnc1N(C)C 62a_200000210301_100000703087 [1,0,0,0,0,0|1,1,0]=3 314 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [1,0,0,0,0,0|3,0,0]=4 315 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_100013325542_200025704644 [1,0,0,0,0,0|2,1,0]=4 316 B11R1.53 C[C@H](O)c1ncccc1S[13CH3] 62a_200025704644_100013325542 [1,0,0,0,0,0|2,1,0]=4 317 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [1,0,0,0,0,0|2,0,1]=4 318 B13R1.141 C=C(C)c1cc(cnc1OCC)Br 271570a_100000694244_200010177599 [0,1,0,0,0,0|1,0,2]=4 319 B13R1.141 CC(C)c1cc(ccc1OCF)Br 34a_100000691460_100015361967 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.141 CC(C)c1cc(ccc1OCF)Br 7a_100000691460_100015361967 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.141 CCNc1ccc(cc1C(C)C)Br 2230a_100000694223_100000210202 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.141 CCNc1ccc(cc1C(C)C)Br 34a_100000694223_100000210202 [0,1,0,0,0,0|3,0,0]=4 323 B13R1.141 CCNc1ccc(cc1C(C)C)Br 7a_100000694223_100000210202 [0,1,0,0,0,0|3,0,0]=4 324 B13R1.141 CCNc1ccc(cc1C(C)C)F 2230a_100011941472_100000210202 [0,1,0,0,0,0|3,0,0]=4 325 B13R1.141 CCNc1ccc(cc1C(C)C)F 34a_100011941472_100000210202 [0,1,0,0,0,0|3,0,0]=4 326 B13R1.141 CCNc1ccc(cc1C(C)C)F 7a_100011941472_100000210202 [0,1,0,0,0,0|3,0,0]=4 327 B13R1.141 CCOc1ccc(cc1C(C)C)Br 34a_100000691460_100000210202 [0,1,0,0,0,0|2,0,0]=3 328 B13R1.141 CCOc1ccc(cc1C(C)C)Br 7a_100000691460_100000210202 [0,1,0,0,0,0|2,0,0]=3 329 B13R1.141 CCOc1ccc(cc1C(C)O)F 34a_200011305312_100000210202 [0,1,0,0,0,0|3,0,0]=4 330 B13R1.141 CCOc1ccc(cc1C(C)O)F 7a_200011305312_100000210202 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.141 CCOc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_100000210202 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.141 CCOc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_100000210202 [0,1,0,0,0,0|3,0,0]=4 333 B13R1.141 CCOc1ccc(cc1[C@H](C)N)F 34a_100160469477_100000210202 [0,1,0,0,0,0|3,0,0]=4 334 B13R1.141 CCOc1ccc(cc1[C@H](C)N)F 7a_100160469477_100000210202 [0,1,0,0,0,0|3,0,0]=4 335 B13R1.141 CCSc1ccc(cc1C(C)C)Br 62a_100000210202_100010244561 [0,1,0,0,0,0|2,1,0]=4 336 B13R1.141 CCSc1ccc(cc1C(C)C)Br 62a_100010244561_100000210202 [0,1,0,0,0,0|2,1,0]=4 337 B13R1.356 C=C=Cc1nc(cnc1C(C)C)C 271570a_100015277604_100015629263 [0,1,0,0,0,0|1,0,2]=4 338 B13R1.356 CC=Cc1nc(cnc1C(C)C)C 271570a_100016259895_100015629263 [0,1,0,0,0,0|1,0,1]=3 339 B13R1.356 CCNc1cc(ccc1C(C)C)F 2230a_100012283353_100000210202 [0,1,0,0,0,0|3,0,0]=4 340 B13R1.356 CCNc1cc(ccc1C(C)C)F 34a_100012283353_100000210202 [0,1,0,0,0,0|3,0,0]=4 341 B13R1.356 CCNc1cc(ccc1C(C)C)F 7a_100012283353_100000210202 [0,1,0,0,0,0|3,0,0]=4 342 B13R1.356 CCNc1nc(cnc1C(C)C)C 27a_100015525214_100015629263 [0,1,0,0,0,0|1,0,0]=2 343 B13R1.356 CCOc1cc(ccc1C(C)C)C 34a_100000185798_100000210202 [0,1,0,0,0,0|2,0,0]=3 344 B13R1.356 CCOc1cc(ccc1C(C)C)C 7a_100000185798_100000210202 [0,1,0,0,0,0|2,0,0]=3 345 B13R1.356 CCSc1cc(cnc1N(C)C)N 62a_100000210202_200012353320 [0,1,0,0,0,0|2,1,0]=4 346 B13R1.356 CCSc1cc(cnc1N(C)C)N 62a_200012353320_100000210202 [0,1,0,0,0,0|2,1,0]=4 347 B13R1.356 CCSc1nc(cnc1C(C)C)C 62a_100000210202_100015629263 [0,1,0,0,0,0|0,1,0]=2 348 B13R1.356 CCSc1nc(cnc1C(C)C)C 62a_100015629263_100000210202 [0,1,0,0,0,0|0,1,0]=2 349 B13R1.356 Cc1ccc(c(c1)OCF)C(C)C 34a_100000185798_100015361967 [0,1,0,0,0,0|3,0,0]=4 350 B13R1.356 Cc1ccc(c(c1)OCF)C(C)C 7a_100000185798_100015361967 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.356 Cc1cnc(c(n1)SCF)C(C)C 62a_100015361967_100015629263 [0,1,0,0,0,0|1,1,0]=3 352 B13R1.356 Cc1cnc(c(n1)SCF)C(C)C 62a_100015629263_100015361967 [0,1,0,0,0,0|1,1,0]=3 353 B13R1.381 CC(C)(C)c1ccccc1OCF 34a_100000211619_100015361967 [0,1,0,0,0,0|3,0,0]=4 354 B13R1.381 CC(C)(C)c1ccccc1OCF 7a_100000211619_100015361967 [0,1,0,0,0,0|3,0,0]=4 355 B13R1.381 CC(C)(O)c1cccnc1SCF 62a_100010080783_100015361967 [0,1,0,0,0,0|2,1,0]=4 356 B13R1.381 CC(C)(O)c1cccnc1SCF 62a_100015361967_100010080783 [0,1,0,0,0,0|2,1,0]=4 357 B13R1.381 CC(C)(O)c1ncccc1SCF 62a_100015361967_200010080787 [0,1,0,0,0,0|2,1,0]=4 358 B13R1.381 CC(C)(O)c1ncccc1SCF 62a_200010080787_100015361967 [0,1,0,0,0,0|2,1,0]=4 359 B13R1.381 CC=Cc1cccnc1C(C)(C)O 271570a_100016259895_200010080787 [0,1,0,0,0,0|2,0,1]=4 360 B13R1.381 CC=Cc1ncccc1C(C)(C)O 271570a_100016259895_100010080783 [0,1,0,0,0,0|2,0,1]=4 361 B13R1.381 CCNc1ccccc1C(C)(C)C 2230a_100000211005_100000210202 [0,1,0,0,0,0|3,0,0]=4 362 B13R1.381 CCNc1ccccc1C(C)(C)C 34a_100000211005_100000210202 [0,1,0,0,0,0|3,0,0]=4 363 B13R1.381 CCNc1ccccc1C(C)(C)C 7a_100000211005_100000210202 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.381 CCNc1ccccc1C(C)(C)O 34a_100000081495_100000210202 [0,1,0,0,0,0|3,0,0]=4 365 B13R1.381 CCNc1ccccc1C(C)(C)O 7a_100000081495_100000210202 [0,1,0,0,0,0|3,0,0]=4 366 B13R1.381 CCNc1cncnc1C(C)(C)C 27a_100015525214_200010089871 [0,1,0,0,0,0|3,0,0]=4 367 B13R1.381 CCNc1nccnc1C(F)(F)F 27a_100015525214_100010291561 [0,1,0,0,0,0|3,0,0]=4 368 B13R1.381 CCOc1ccccc1C(C)(C)C 34a_100000211619_100000210202 [0,1,0,0,0,0|2,0,0]=3 369 B13R1.381 CCOc1ccccc1C(C)(C)C 7a_100000211619_100000210202 [0,1,0,0,0,0|2,0,0]=3 370 B13R1.381 CCOc1ccccc1[Si](C)(C)C 7a_100000095915_100000210202 [0,1,0,0,0,0|2,1,0]=4 371 B13R1.381 CCOc1cccnc1C(F)(F)F 34a_100009873705_100000210202 [0,1,0,0,0,0|3,0,0]=4 372 B13R1.381 CCOc1cccnc1C(F)(F)F 7a_100009873705_100000210202 [0,1,0,0,0,0|3,0,0]=4 373 B13R1.381 CCOc1nccnc1C(F)(F)F 34a_200009888604_100000210202 [0,1,0,0,0,0|2,0,0]=3 374 B13R1.381 CCSc1ccccc1C(C)(C)C 62a_100000210202_100012339570 [0,1,0,0,0,0|2,1,0]=4 375 B13R1.381 CCSc1ccccc1C(C)(C)C 62a_100012339570_100000210202 [0,1,0,0,0,0|2,1,0]=4 376 B13R1.381 CCSc1ccccc1C(C)(C)N 62a_100000210202_100020606264 [0,1,0,0,0,0|2,1,0]=4 377 B13R1.381 CCSc1ccccc1C(C)(C)N 62a_100020606264_100000210202 [0,1,0,0,0,0|2,1,0]=4 378 B13R1.381 CCSc1ccccc1C(C)(C)O 62a_100000210202_100011346021 [0,1,0,0,0,0|2,1,0]=4 379 B13R1.381 CCSc1ccccc1C(C)(C)O 62a_100011346021_100000210202 [0,1,0,0,0,0|2,1,0]=4 380 B13R1.381 CCSc1cccnc1C(C)(C)O 62a_100000210202_200010080787 [0,1,0,0,0,0|1,1,0]=3 381 B13R1.381 CCSc1cccnc1C(C)(C)O 62a_200010080787_100000210202 [0,1,0,0,0,0|1,1,0]=3 382 B13R1.381 CCSc1cncnc1C(C)(C)C 62a_100000210202_200010089871 [0,1,0,0,0,0|2,1,0]=4 383 B13R1.381 CCSc1cncnc1C(C)(C)C 62a_200010089871_100000210202 [0,1,0,0,0,0|2,1,0]=4 384 B13R1.381 CCSc1ncccc1C(C)(C)O 62a_100000210202_100010080783 [0,1,0,0,0,0|1,1,0]=3 385 B13R1.381 CCSc1ncccc1C(C)(C)O 62a_100010080783_100000210202 [0,1,0,0,0,0|1,1,0]=3 386 B13R1.381 CCSc1nccnc1C(F)(F)F 62a_100000210202_100010291561 [0,1,0,0,0,0|2,1,0]=4 387 B13R1.381 CCSc1nccnc1C(F)(F)F 62a_100010291561_100000210202 [0,1,0,0,0,0|2,1,0]=4 388 B13R1.381 FCOc1nccnc1C(F)(F)F 34a_200009888604_100015361967 [0,1,0,0,0,0|3,0,0]=4 389 B13R1.382 CC=Cc1cccnc1[C@H](C)OC 271570a_100016259895_106256553109 [0,1,0,0,0,0|2,0,1]=4 390 B13R1.382 CCC(C)c1ccccc1OCF 7a_100000211618_100015361967 [0,1,0,0,0,0|3,0,0]=4 391 B13R1.382 CCNc1ccccc1C(C)CC 2230a_200000211393_100000210202 [0,1,0,0,0,0|3,0,0]=4 392 B13R1.382 CCNc1ccccc1C(C)CC 7a_200000211393_100000210202 [0,1,0,0,0,0|3,0,0]=4 393 B13R1.382 CCNc1nccnc1C(=O)OC 27a_100015525214_100000079898 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.382 CCOc1ccccc1C(C)CC 7a_100000211618_100000210202 [0,1,0,0,0,0|2,0,0]=3 395 B13R1.382 CCOc1ccccc1C(C)NC 2230a_100000737537_200000210301 [0,1,0,0,0,0|2,0,0]=3 396 B13R1.382 CCOc1ccccc1C(C)NC 269862a_106832991636_100000172999 [0,1,0,0,0,0|2,0,0]=3 397 B13R1.382 CCOc1ccccc1C(C)N[13CH3] 2230a_100000737537_200025704644 [0,1,0,0,0,0|2,0,0]=3 398 B13R1.382 CCOc1ccccc1C(C)OC 7a_100000246524_200000210301 [0,1,0,0,0,0|2,0,0]=3 399 B13R1.382 CCOc1ccccc1C(C)O[13CH3] 7a_100000246524_200025704644 [0,1,0,0,0,0|2,0,0]=3 400 B13R1.382 CCOc1cccnc1C(=O)NC 34a_100011376092_100000210202 [0,1,0,0,0,0|2,0,1]=4 401 B13R1.382 CCOc1cccnc1C(=O)NC 7a_100011376092_100000210202 [0,1,0,0,0,0|2,0,1]=4 402 B13R1.382 CCOc1cccnc1C(=O)OC 34a_100000744052_100000210202 [0,1,0,0,0,0|2,0,1]=4 403 B13R1.382 CCOc1cccnc1C(=O)OC 7a_100000744052_100000210202 [0,1,0,0,0,0|2,0,1]=4 404 B13R1.382 CCOc1ncccc1C(C)NC 269862a_106832991636_100012039643 [0,1,0,0,0,0|1,0,0]=2 405 B13R1.382 CCSc1ccccc1C(C)NC 62a_100000210202_100000692418 [0,1,0,0,0,0|2,1,0]=4 406 B13R1.382 CCSc1ccccc1C(C)NC 62a_100000692418_100000210202 [0,1,0,0,0,0|2,1,0]=4 407 B13R1.382 CCSc1cccnc1[C@H](C)OC 62a_100000210202_106256553109 [0,1,0,0,0,0|1,1,0]=3 408 B13R1.382 CCSc1cccnc1[C@H](C)OC 62a_106256553109_100000210202 [0,1,0,0,0,0|1,1,0]=3 409 B13R1.382 CCSc1nccnc1C(=O)OC 62a_100000210202_100000079898 [0,1,0,0,0,0|1,1,1]=4 410 B13R1.382 CCSc1nccnc1C(=O)OC 62a_100000688410_100000210202 [0,1,0,0,0,0|1,1,1]=4 411 B13R1.382 CO[C@@H](C)c1ncccc1SCF 62a_100015361967_106256553109 [0,1,0,0,0,0|2,1,0]=4 412 B13R1.382 CO[C@@H](C)c1ncccc1SCF 62a_106256553109_100015361967 [0,1,0,0,0,0|2,1,0]=4 413 B13R1.547 CCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210202 [0,1,0,0,0,0|3,0,0]=4 414 B13R1.547 CCN(C)c1ccccc1C(C)C 2230a_106256037369_100000210202 [0,1,0,0,0,0|3,0,0]=4 415 B13R1.547 CCN(C)c1ccccc1C(C)C 269982a_106256037369_100000204670 [0,1,0,0,0,0|3,0,0]=4 416 B13R1.547 CCN(C)c1ccccc1C(C)C 34a_106256037369_100000210202 [0,1,0,0,0,0|3,0,0]=4 417 B13R1.547 CCN(C)c1ccccc1C(C)C 38a_106256037369_100000204670 [0,1,0,0,0,0|3,0,0]=4 418 B13R1.547 COC(=O)c1nccnc1N(C)C 27a_100102631434_100000079898 [0,1,0,0,0,0|3,0,0]=4 419 B13R1.572 C#CCNc1nccnc1N(C)C 27a_100000212058_100000703087 [0,1,0,0,0,0|2,0,1]=4 420 B13R1.572 C#CCOc1ccccc1C(C)C 34a_100000211617_100000184674 [0,1,0,0,0,0|2,0,1]=4 421 B13R1.572 C#CCOc1ccccc1C(C)C 7a_100000211617_100000038162 [0,1,0,0,0,0|2,0,1]=4 422 B13R1.572 C#CCOc1cccnc1C(C)C 34a_100012183336_100000184674 [0,1,0,0,0,0|1,0,1]=3 423 B13R1.572 C#CCOc1cccnc1C(C)C 7a_100012183336_100000038162 [0,1,0,0,0,0|1,0,1]=3 424 B13R1.572 C#CCSc1ncccc1C(C)C 62a_100000038162_200010382935 [0,1,0,0,0,0|1,1,1]=4 425 B13R1.572 C#CCSc1nccnc1N(C)C 62a_100000038162_100000703087 [0,1,0,0,0,0|1,1,1]=4 426 B13R1.572 C=C(C)c1cccnc1OCCC 271570a_100000694244_200011465209 [0,1,0,0,0,0|1,0,2]=4 427 B13R1.572 C=C(C)c1ncccc1OCCF 271570a_100000694244_100012814765 [0,1,0,0,0,0|1,0,2]=4 428 B13R1.572 C=C(C)c1ncccc1OCOC 271570a_100000694244_100011935308 [0,1,0,0,0,0|1,0,2]=4 429 B13R1.572 C=C(C)c1nccnc1NCCO 271570a_100000694244_200011219046 [0,1,0,0,0,0|1,0,2]=4 430 B13R1.572 C=CCNc1nccnc1N(C)C 27a_100020586998_100000703087 [0,1,0,0,0,0|2,0,1]=4 431 B13R1.572 C=CCOc1ccccc1C(C)C 34a_100000211617_100015514636 [0,1,0,0,0,0|2,0,1]=4 432 B13R1.572 C=CCOc1ccccc1C(C)C 7a_100000211617_100015514636 [0,1,0,0,0,0|2,0,1]=4 433 B13R1.572 C=CCOc1cccnc1C(C)C 34a_100012183336_100015514636 [0,1,0,0,0,0|1,0,1]=3 434 B13R1.572 C=CCOc1cccnc1C(C)C 7a_100012183336_100015514636 [0,1,0,0,0,0|1,0,1]=3 435 B13R1.572 C=CCSc1ncccc1C(C)C 62a_100000210623_200010382935 [0,1,0,0,0,0|1,1,1]=4 436 B13R1.572 C=CCSc1ncccc1C(C)C 62a_200010382935_100000210623 [0,1,0,0,0,0|1,1,1]=4 437 B13R1.572 C=CCSc1nccnc1N(C)C 62a_100000210623_100000703087 [0,1,0,0,0,0|1,1,1]=4 438 B13R1.572 CC(=O)c1ncccc1OCCF 34a_100000087166_100011217306 [0,1,0,0,0,0|2,0,1]=4 439 B13R1.572 CC(=O)c1ncccc1OCCF 7a_100000087166_100011217306 [0,1,0,0,0,0|2,0,1]=4 440 B13R1.572 CC(=O)c1ncccc1OCCO 34a_100000087166_100000211926 [0,1,0,0,0,0|2,0,1]=4 441 B13R1.572 CC(=O)c1ncccc1OCCO 7a_100000087166_100000211926 [0,1,0,0,0,0|2,0,1]=4 442 B13R1.572 CC(=O)c1nccnc1NCCO 27a_100000210304_100000099859 [0,1,0,0,0,0|2,0,1]=4 443 B13R1.572 CC(=O)c1nccnc1SCCF 62a_100000099859_100011217306 [0,1,0,0,0,0|1,1,1]=4 444 B13R1.572 CC(=O)c1nccnc1SCCF 62a_100011217306_100000099859 [0,1,0,0,0,0|1,1,1]=4 445 B13R1.572 CC(=O)c1nccnc1SCCO 62a_100000099859_100000211926 [0,1,0,0,0,0|1,1,1]=4 446 B13R1.572 CC(=O)c1nccnc1SCCO 62a_100000211926_100000099859 [0,1,0,0,0,0|1,1,1]=4 447 B13R1.572 CC(C)c1ccccc1NCCF 2230a_100000210643_100011217306 [0,1,0,0,0,0|3,0,0]=4 448 B13R1.572 CC(C)c1ccccc1NCCF 34a_100000210643_100011217306 [0,1,0,0,0,0|3,0,0]=4 449 B13R1.572 CC(C)c1ccccc1NCCF 7a_100000210643_100011217306 [0,1,0,0,0,0|3,0,0]=4 450 B13R1.572 CC(C)c1ccccc1NCCO 2230a_100000210643_100000211926 [0,1,0,0,0,0|3,0,0]=4 451 B13R1.572 CC(C)c1ccccc1NCCO 34a_100000210643_100000211926 [0,1,0,0,0,0|3,0,0]=4 452 B13R1.572 CC(C)c1ccccc1NCCO 7a_100000210643_100000211926 [0,1,0,0,0,0|3,0,0]=4 453 B13R1.572 CC(C)c1ccccc1OCC#N 7a_100000211617_100011215382 [0,1,0,0,0,0|2,0,1]=4 454 B13R1.572 CC(C)c1ccccc1OCC=O 34a_100000211617_200009817547 [0,1,0,0,0,0|2,0,1]=4 455 B13R1.572 CC(C)c1ccccc1OCC=O 7a_100000211617_200015260668 [0,1,0,0,0,0|2,0,1]=4 456 B13R1.572 CC(C)c1ccccc1OCCF 34a_100000211617_100011217306 [0,1,0,0,0,0|2,0,0]=3 457 B13R1.572 CC(C)c1ccccc1OCCF 7a_100000211617_100011217306 [0,1,0,0,0,0|2,0,0]=3 458 B13R1.572 CC(C)c1ccccc1OCCO 34a_100000211617_100000211926 [0,1,0,0,0,0|2,0,0]=3 459 B13R1.572 CC(C)c1ccccc1OCCO 7a_100000211617_100000211926 [0,1,0,0,0,0|2,0,0]=3 460 B13R1.572 CC(C)c1ccccc1SCCF 62a_100000708600_100011217306 [0,1,0,0,0,0|2,1,0]=4 461 B13R1.572 CC(C)c1ccccc1SCCF 62a_100011217306_100000708600 [0,1,0,0,0,0|2,1,0]=4 462 B13R1.572 CC(C)c1ccccc1SCCO 62a_100000211926_100000708600 [0,1,0,0,0,0|2,1,0]=4 463 B13R1.572 CC(C)c1ccccc1SCCO 62a_100000708600_100000211926 [0,1,0,0,0,0|2,1,0]=4 464 B13R1.572 CC(C)c1cccnc1COCF 34a_200009878718_100015361967 [0,1,0,0,0,0|2,0,0]=3 465 B13R1.572 CC(C)c1cccnc1CSCF 62a_100015361967_200134614246 [0,1,0,0,0,0|2,1,0]=4 466 B13R1.572 CC(C)c1cccnc1CSCF 62a_200134614246_100015361967 [0,1,0,0,0,0|2,1,0]=4 467 B13R1.572 CC(C)c1cccnc1SCC#N 62a_100011215382_200010382935 [0,1,0,0,0,0|1,1,1]=4 468 B13R1.572 CC(C)c1cccnc1SCC#N 62a_200010382935_100011215382 [0,1,0,0,0,0|1,1,1]=4 469 B13R1.572 CC(C)c1cccnc1SCC=O 62a_200010382935_200015260668 [0,1,0,0,0,0|1,1,1]=4 470 B13R1.572 CC(C)c1cccnc1SCC=O 62a_200015260668_200010382935 [0,1,0,0,0,0|1,1,1]=4 471 B13R1.572 CC(C)c1cccnc1SCCF 62a_100011217306_200010382935 [0,1,0,0,0,0|1,1,0]=3 472 B13R1.572 CC(C)c1cccnc1SCCF 62a_200010382935_100011217306 [0,1,0,0,0,0|1,1,0]=3 473 B13R1.572 CC(C)c1cccnc1SCCO 62a_100000211926_200010382935 [0,1,0,0,0,0|1,1,0]=3 474 B13R1.572 CC(C)c1cccnc1SCCO 62a_200010382935_100000211926 [0,1,0,0,0,0|1,1,0]=3 475 B13R1.572 CC(C)c1ncccc1OCC#N 7a_100012183336_100011215382 [0,1,0,0,0,0|1,0,1]=3 476 B13R1.572 CC(C)c1ncccc1OCC=O 34a_100012183336_200009817547 [0,1,0,0,0,0|1,0,1]=3 477 B13R1.572 CC(C)c1ncccc1OCC=O 7a_100012183336_200015260668 [0,1,0,0,0,0|1,0,1]=3 478 B13R1.572 CC(C)c1ncccc1OCCF 34a_100012183336_100011217306 [0,1,0,0,0,0|1,0,0]=2 479 B13R1.572 CC(C)c1ncccc1OCCF 7a_100012183336_100011217306 [0,1,0,0,0,0|1,0,0]=2 480 B13R1.572 CC(C)c1ncccc1OCCO 34a_100012183336_100000211926 [0,1,0,0,0,0|1,0,0]=2 481 B13R1.572 CC(C)c1ncccc1OCCO 7a_100012183336_100000211926 [0,1,0,0,0,0|1,0,0]=2 482 B13R1.572 CC(C)c1ncncc1NCCO 27a_100000210304_100009816988 [0,1,0,0,0,0|3,0,0]=4 483 B13R1.572 CC(C)c1ncncc1SCCF 62a_100009816988_100011217306 [0,1,0,0,0,0|2,1,0]=4 484 B13R1.572 CC(C)c1ncncc1SCCF 62a_100011217306_100009816988 [0,1,0,0,0,0|2,1,0]=4 485 B13R1.572 CC(C)c1ncncc1SCCO 62a_100000211926_100009816988 [0,1,0,0,0,0|2,1,0]=4 486 B13R1.572 CC(C)c1ncncc1SCCO 62a_100009816988_100000211926 [0,1,0,0,0,0|2,1,0]=4 487 B13R1.572 CC(N)c1ncccc1SCCF 62a_100011217306_100159271932 [0,1,0,0,0,0|2,1,0]=4 488 B13R1.572 CC(N)c1ncccc1SCCF 62a_100159271932_100011217306 [0,1,0,0,0,0|2,1,0]=4 489 B13R1.572 CC(N)c1ncccc1SCCO 62a_100000211926_100159271932 [0,1,0,0,0,0|2,1,0]=4 490 B13R1.572 CC(N)c1ncccc1SCCO 62a_100159271932_100000211926 [0,1,0,0,0,0|2,1,0]=4 491 B13R1.572 CC(O)c1ccccc1OCCF 34a_200011232679_100011217306 [0,1,0,0,0,0|3,0,0]=4 492 B13R1.572 CC(O)c1ccccc1OCCF 7a_200011232679_100011217306 [0,1,0,0,0,0|3,0,0]=4 493 B13R1.572 CC(O)c1ccccc1OCCO 34a_200011232679_100000211926 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.572 CC(O)c1ccccc1OCCO 7a_200011232679_100000211926 [0,1,0,0,0,0|3,0,0]=4 495 B13R1.572 CC(O)c1cccnc1SCCF 62a_100009865335_100011217306 [0,1,0,0,0,0|2,1,0]=4 496 B13R1.572 CC(O)c1cccnc1SCCF 62a_100011217306_100009865335 [0,1,0,0,0,0|2,1,0]=4 497 B13R1.572 CC(O)c1cccnc1SCCO 62a_100000211926_100009865335 [0,1,0,0,0,0|2,1,0]=4 498 B13R1.572 CC(O)c1cccnc1SCCO 62a_100009865335_100000211926 [0,1,0,0,0,0|2,1,0]=4 499 B13R1.572 CCCCc1ccccc1C(C)C 271570a_100020621405_100011218076 [0,1,0,0,0,0|3,0,0]=4 500 B13R1.572 CCCCc1cccnc1C(C)N 271570a_100020621405_100159271932 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.572 CCCCc1cccnc1N(C)C 271570a_100020621405_100011465059 [0,1,0,0,0,0|3,0,0]=4 502 B13R1.572 CCCCc1cccnc1[C@H](C)O 271570a_100020621405_100013325542 [0,1,0,0,0,0|3,0,0]=4 503 B13R1.572 CCCCc1cncnc1C(C)C 271570a_100020621405_100009816988 [0,1,0,0,0,0|3,0,0]=4 504 B13R1.572 CCCCc1ncccc1C(C)C 271570a_100020621405_200010382935 [0,1,0,0,0,0|2,0,0]=3 505 B13R1.572 CCCCc1ncccc1C(C)O 271570a_100020621405_100009865335 [0,1,0,0,0,0|3,0,0]=4 506 B13R1.572 CCCCc1nccnc1C(=O)C 271570a_100020621405_100000099859 [0,1,0,0,0,0|2,0,1]=4 507 B13R1.572 CCCCc1nccnc1N(C)C 271570a_100020621405_100000703087 [0,1,0,0,0,0|2,0,0]=3 508 B13R1.572 CCCNc1ccccc1C(C)C 2230a_100000210643_100000210303 [0,1,0,0,0,0|3,0,0]=4 509 B13R1.572 CCCNc1ccccc1C(C)C 34a_100000210643_100000210303 [0,1,0,0,0,0|3,0,0]=4 510 B13R1.572 CCCNc1ccccc1C(C)C 7a_100000210643_100000210303 [0,1,0,0,0,0|3,0,0]=4 511 B13R1.572 CCCOc1ccccc1C(C)C 34a_100000211617_100000210303 [0,1,0,0,0,0|2,0,0]=3 512 B13R1.572 CCCOc1ccccc1C(C)C 7a_100000211617_100000210303 [0,1,0,0,0,0|2,0,0]=3 513 B13R1.572 CCCOc1ccccc1C(C)O 34a_200011232679_100000210303 [0,1,0,0,0,0|3,0,0]=4 514 B13R1.572 CCCOc1ccccc1C(C)O 7a_200011232679_100000210303 [0,1,0,0,0,0|3,0,0]=4 515 B13R1.572 CCCOc1ccccc1N(C)C 27a_100102631434_100000174042 [0,1,0,0,0,0|3,0,0]=4 516 B13R1.572 CCCOc1ccccc1[C@@H](C)N 34a_100025703389_100000210303 [0,1,0,0,0,0|3,0,0]=4 517 B13R1.572 CCCOc1cccnc1C(=O)C 34a_100000087166_100000210303 [0,1,0,0,0,0|2,0,1]=4 518 B13R1.572 CCCOc1cccnc1C(=O)C 7a_100000087166_100000210303 [0,1,0,0,0,0|2,0,1]=4 519 B13R1.572 CCCOc1cccnc1C(C)C 34a_100012183336_100000210303 [0,1,0,0,0,0|1,0,0]=2 520 B13R1.572 CCCOc1cccnc1C(C)C 7a_100012183336_100000210303 [0,1,0,0,0,0|1,0,0]=2 521 B13R1.572 CCCOc1nccnc1C(=O)N 34a_100011830332_100000210303 [0,1,0,0,0,0|2,0,1]=4 522 B13R1.572 CCCSc1ccccc1C(C)C 62a_100000210303_100000708600 [0,1,0,0,0,0|2,1,0]=4 523 B13R1.572 CCCSc1ccccc1C(C)C 62a_100000708600_100000210303 [0,1,0,0,0,0|2,1,0]=4 524 B13R1.572 CCCSc1cccnc1C(C)N 62a_100000210303_100159271932 [0,1,0,0,0,0|2,1,0]=4 525 B13R1.572 CCCSc1cccnc1C(C)N 62a_100159271932_100000210303 [0,1,0,0,0,0|2,1,0]=4 526 B13R1.572 CCCSc1cccnc1N(C)C 62a_100000210303_100011465059 [0,1,0,0,0,0|2,1,0]=4 527 B13R1.572 CCCSc1cccnc1N(C)C 62a_100011465059_100000210303 [0,1,0,0,0,0|2,1,0]=4 528 B13R1.572 CCCSc1cccnc1[C@H](C)O 62a_100000210303_100013325542 [0,1,0,0,0,0|2,1,0]=4 529 B13R1.572 CCCSc1cccnc1[C@H](C)O 62a_100013325542_100000210303 [0,1,0,0,0,0|2,1,0]=4 530 B13R1.572 CCCSc1cncnc1C(C)C 62a_100000210303_100009816988 [0,1,0,0,0,0|2,1,0]=4 531 B13R1.572 CCCSc1cncnc1C(C)C 62a_100009816988_100000210303 [0,1,0,0,0,0|2,1,0]=4 532 B13R1.572 CCCSc1ncccc1C(C)C 62a_100000210303_200010382935 [0,1,0,0,0,0|1,1,0]=3 533 B13R1.572 CCCSc1ncccc1C(C)C 62a_200010382935_100000210303 [0,1,0,0,0,0|1,1,0]=3 534 B13R1.572 CCCSc1ncccc1C(C)O 62a_100000210303_100009865335 [0,1,0,0,0,0|2,1,0]=4 535 B13R1.572 CCCSc1ncccc1C(C)O 62a_100009865335_100000210303 [0,1,0,0,0,0|2,1,0]=4 536 B13R1.572 CCCSc1nccnc1C(=O)C 62a_100000099859_100000210303 [0,1,0,0,0,0|1,1,1]=4 537 B13R1.572 CCCSc1nccnc1C(=O)C 62a_100000210303_100000099859 [0,1,0,0,0,0|1,1,1]=4 538 B13R1.572 CCCSc1nccnc1N(C)C 62a_100000210303_100000703087 [0,1,0,0,0,0|1,1,0]=3 539 B13R1.572 CCNCc1ccccc1C(C)C 207a_100015525214_100011361515 [0,1,0,0,0,0|3,0,0]=4 540 B13R1.572 CCNCc1ccccc1C(C)C 270004a_100015525214_100011361515 [0,1,0,0,0,0|3,0,0]=4 541 B13R1.572 CCNCc1cccnc1N(C)C 207a_100015525214_100000731630 [0,1,0,0,0,0|3,0,0]=4 542 B13R1.572 CCNCc1cccnc1N(C)C 270004a_100015525214_100000731630 [0,1,0,0,0,0|3,0,0]=4 543 B13R1.572 CCNCc1ncccc1C(C)C 2230a_100015525214_200134614246 [0,1,0,0,0,0|2,0,0]=3 544 B13R1.572 CCOCc1cccnc1C(F)F 34a_100010834607_100000210202 [0,1,0,0,0,0|3,0,0]=4 545 B13R1.572 CCOCc1cccnc1C(F)F 7a_100010834607_100000210202 [0,1,0,0,0,0|3,0,0]=4 546 B13R1.572 CCOCc1ncccc1C(C)C 34a_100121572206_200134614246 [0,1,0,0,0,0|1,0,0]=2 547 B13R1.572 CCOCc1ncccc1C(C)C 34a_200009878718_100000210202 [0,1,0,0,0,0|1,0,0]=2 548 B13R1.572 CCSCc1ncccc1C(C)C 62a_100000210202_200134614246 [0,1,0,0,0,0|1,1,0]=3 549 B13R1.572 CCSCc1ncccc1C(C)C 62a_200134614246_100000210202 [0,1,0,0,0,0|1,1,0]=3 550 B13R1.572 CN(C)c1ncccc1OCCF 27a_100102631434_100012814765 [0,1,0,0,0,0|2,0,0]=3 551 B13R1.572 CN(C)c1ncccc1SCCF 62a_100011217306_100011465059 [0,1,0,0,0,0|2,1,0]=4 552 B13R1.572 CN(C)c1ncccc1SCCF 62a_100011465059_100011217306 [0,1,0,0,0,0|2,1,0]=4 553 B13R1.572 CN(C)c1ncccc1SCCO 62a_100000211926_100011465059 [0,1,0,0,0,0|2,1,0]=4 554 B13R1.572 CN(C)c1ncccc1SCCO 62a_100011465059_100000211926 [0,1,0,0,0,0|2,1,0]=4 555 B13R1.572 CN(C)c1nccnc1NCCO 27a_100000210304_100000703087 [0,1,0,0,0,0|2,0,0]=3 556 B13R1.572 CN(C)c1nccnc1SCC#N 62a_100011215382_100000703087 [0,1,0,0,0,0|1,1,1]=4 557 B13R1.572 CN(C)c1nccnc1SCC=O 62a_200015260668_100000703087 [0,1,0,0,0,0|1,1,1]=4 558 B13R1.572 CN(C)c1nccnc1SCCF 62a_100011217306_100000703087 [0,1,0,0,0,0|1,1,0]=3 559 B13R1.572 CN(C)c1nccnc1SCCO 62a_100000211926_100000703087 [0,1,0,0,0,0|1,1,0]=3 560 B13R1.572 COCNc1ccccc1C(C)C 2230a_100000210643_100000766300 [0,1,0,0,0,0|3,0,0]=4 561 B13R1.572 COCSc1ccccc1C(C)C 62a_100000708600_100000766300 [0,1,0,0,0,0|2,1,0]=4 562 B13R1.572 COCSc1ccccc1C(C)C 62a_100000766300_100000708600 [0,1,0,0,0,0|2,1,0]=4 563 B13R1.572 COCSc1cccnc1C(C)N 62a_100000766300_100159271932 [0,1,0,0,0,0|2,1,0]=4 564 B13R1.572 COCSc1cccnc1C(C)N 62a_100159271932_100000766300 [0,1,0,0,0,0|2,1,0]=4 565 B13R1.572 COCSc1cccnc1N(C)C 62a_100000766300_100011465059 [0,1,0,0,0,0|2,1,0]=4 566 B13R1.572 COCSc1cccnc1N(C)C 62a_100011465059_100000766300 [0,1,0,0,0,0|2,1,0]=4 567 B13R1.572 COCSc1cccnc1[C@H](C)O 62a_100000766300_100013325542 [0,1,0,0,0,0|2,1,0]=4 568 B13R1.572 COCSc1cccnc1[C@H](C)O 62a_100013325542_100000766300 [0,1,0,0,0,0|2,1,0]=4 569 B13R1.572 COCSc1cncnc1C(C)C 62a_100000766300_100009816988 [0,1,0,0,0,0|2,1,0]=4 570 B13R1.572 COCSc1cncnc1C(C)C 62a_100009816988_100000766300 [0,1,0,0,0,0|2,1,0]=4 571 B13R1.572 COCSc1ncccc1C(C)C 62a_100000766300_200010382935 [0,1,0,0,0,0|1,1,0]=3 572 B13R1.572 COCSc1ncccc1C(C)C 62a_200010382935_100000766300 [0,1,0,0,0,0|1,1,0]=3 573 B13R1.572 COCSc1ncccc1C(C)O 62a_100000766300_100009865335 [0,1,0,0,0,0|2,1,0]=4 574 B13R1.572 COCSc1ncccc1C(C)O 62a_100009865335_100000766300 [0,1,0,0,0,0|2,1,0]=4 575 B13R1.572 COCSc1nccnc1C(=O)C 62a_100000099859_100000766300 [0,1,0,0,0,0|1,1,1]=4 576 B13R1.572 COCSc1nccnc1C(=O)C 62a_100000766300_100000099859 [0,1,0,0,0,0|1,1,1]=4 577 B13R1.572 COCSc1nccnc1N(C)C 62a_100000766300_100000703087 [0,1,0,0,0,0|1,1,0]=3 578 B13R1.572 CSCNc1ccccc1C(C)C 2230a_100000210643_100011218213 [0,1,0,0,0,0|3,0,0]=4 579 B13R1.572 CSCNc1ccccc1C(C)C 34a_100000210643_100011218213 [0,1,0,0,0,0|3,0,0]=4 580 B13R1.572 CSCOc1ccccc1C(C)C 34a_100000211617_100011218213 [0,1,0,0,0,0|2,0,0]=3 581 B13R1.572 CSCOc1ccccc1C(C)O 34a_200011232679_100011218213 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.572 CSCOc1ccccc1[C@@H](C)N 34a_100025703389_100011218213 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.572 CSCOc1cccnc1C(=O)C 34a_100000087166_100011218213 [0,1,0,0,0,0|2,0,1]=4 584 B13R1.572 CSCOc1cccnc1C(C)C 34a_100012183336_100011218213 [0,1,0,0,0,0|1,0,0]=2 585 B13R1.572 CSCOc1nccnc1C(=O)N 34a_100011830332_100011218213 [0,1,0,0,0,0|2,0,1]=4 586 B13R1.572 CSCSc1ccccc1C(C)C 62a_100000708600_100011218213 [0,1,0,0,0,0|2,1,0]=4 587 B13R1.572 CSCSc1ccccc1C(C)C 62a_100011218213_100000708600 [0,1,0,0,0,0|2,1,0]=4 588 B13R1.572 CSCSc1cccnc1C(C)N 62a_100011218213_100159271932 [0,1,0,0,0,0|2,1,0]=4 589 B13R1.572 CSCSc1cccnc1C(C)N 62a_100159271932_100011218213 [0,1,0,0,0,0|2,1,0]=4 590 B13R1.572 CSCSc1cccnc1N(C)C 62a_100011218213_100011465059 [0,1,0,0,0,0|2,1,0]=4 591 B13R1.572 CSCSc1cccnc1N(C)C 62a_100011465059_100011218213 [0,1,0,0,0,0|2,1,0]=4 592 B13R1.572 CSCSc1cccnc1[C@H](C)O 62a_100011218213_100013325542 [0,1,0,0,0,0|2,1,0]=4 593 B13R1.572 CSCSc1cccnc1[C@H](C)O 62a_100013325542_100011218213 [0,1,0,0,0,0|2,1,0]=4 594 B13R1.572 CSCSc1cncnc1C(C)C 62a_100009816988_100011218213 [0,1,0,0,0,0|2,1,0]=4 595 B13R1.572 CSCSc1cncnc1C(C)C 62a_100011218213_100009816988 [0,1,0,0,0,0|2,1,0]=4 596 B13R1.572 CSCSc1ncccc1C(C)C 62a_100011218213_200010382935 [0,1,0,0,0,0|1,1,0]=3 597 B13R1.572 CSCSc1ncccc1C(C)C 62a_200010382935_100011218213 [0,1,0,0,0,0|1,1,0]=3 598 B13R1.572 CSCSc1ncccc1C(C)O 62a_100009865335_100011218213 [0,1,0,0,0,0|2,1,0]=4 599 B13R1.572 CSCSc1ncccc1C(C)O 62a_100011218213_100009865335 [0,1,0,0,0,0|2,1,0]=4 600 B13R1.572 CSCSc1nccnc1C(=O)C 62a_100000099859_100011218213 [0,1,0,0,0,0|1,1,1]=4 601 B13R1.572 CSCSc1nccnc1C(=O)C 62a_100011218213_100000099859 [0,1,0,0,0,0|1,1,1]=4 602 B13R1.572 CSCSc1nccnc1N(C)C 62a_100011218213_100000703087 [0,1,0,0,0,0|1,1,0]=3 603 B13R1.572 C[C@@H](N)c1ccccc1OCCF 34a_100025703389_100011217306 [0,1,0,0,0,0|3,0,0]=4 604 B13R1.572 C[C@@H](N)c1ccccc1OCCO 34a_100025703389_100000211926 [0,1,0,0,0,0|3,0,0]=4 605 B13R1.572 C[C@H](O)c1ncccc1SCCF 62a_100011217306_100013325542 [0,1,0,0,0,0|2,1,0]=4 606 B13R1.572 C[C@H](O)c1ncccc1SCCF 62a_100013325542_100011217306 [0,1,0,0,0,0|2,1,0]=4 607 B13R1.572 C[C@H](O)c1ncccc1SCCO 62a_100000211926_100013325542 [0,1,0,0,0,0|2,1,0]=4 608 B13R1.572 C[C@H](O)c1ncccc1SCCO 62a_100013325542_100000211926 [0,1,0,0,0,0|2,1,0]=4 609 B13R1.572 NC(=O)c1nccnc1OCCF 34a_100011830332_100011217306 [0,1,0,0,0,0|2,0,1]=4 610 B13R1.572 NC(=O)c1nccnc1OCCO 34a_100011830332_100000211926 [0,1,0,0,0,0|2,0,1]=4 611 B13R1.589 C=C(C)c1cccnc1OC(C)C 271570a_100000694244_200011465186 [0,1,0,0,0,0|1,0,2]=4 612 B13R1.589 CC(=Cc1ncccc1C(C)C)C 271570a_100102525489_200010382935 [0,1,0,0,0,0|2,0,1]=4 613 B13R1.589 CC(=Cc1nccnc1N(C)C)C 271570a_100102525489_100000703087 [0,1,0,0,0,0|2,0,1]=4 614 B13R1.589 CC(=O)Cc1ncccc1C(C)C 1458a_100000070787_200134614246 [0,1,0,0,0,0|2,0,1]=4 615 B13R1.589 CC(=O)c1ncccc1OC(C)C 34a_100000087166_100000210206 [0,1,0,0,0,0|2,0,1]=4 616 B13R1.589 CC(=O)c1ncccc1OC(C)C 7a_100000087166_100000210206 [0,1,0,0,0,0|2,0,1]=4 617 B13R1.589 CC(=O)c1nccnc1NC(C)C 27a_100138425928_100000099859 [0,1,0,0,0,0|2,0,1]=4 618 B13R1.589 CC(=O)c1nccnc1SC(C)C 62a_100000099859_100000210206 [0,1,0,0,0,0|1,1,1]=4 619 B13R1.589 CC(=O)c1nccnc1SC(C)C 62a_100000210206_100000099859 [0,1,0,0,0,0|1,1,1]=4 620 B13R1.589 CC(C)Nc1ccccc1C(C)C 2230a_100000210643_100000210206 [0,1,0,0,0,0|3,0,0]=4 621 B13R1.589 CC(C)Nc1ccccc1C(C)C 34a_100000210643_100000210206 [0,1,0,0,0,0|3,0,0]=4 622 B13R1.589 CC(C)Nc1ccccc1C(C)C 7a_100000210643_100000210206 [0,1,0,0,0,0|3,0,0]=4 623 B13R1.589 CC(C)Nc1cncnc1C(C)C 27a_100138425928_100009816988 [0,1,0,0,0,0|3,0,0]=4 624 B13R1.589 CC(C)Nc1nccnc1N(C)C 27a_100138425928_100000703087 [0,1,0,0,0,0|2,0,0]=3 625 B13R1.589 CC(C)Oc1ccccc1C(C)C 34a_100000211617_100000210206 [0,1,0,0,0,0|2,0,0]=3 626 B13R1.589 CC(C)Oc1ccccc1C(C)C 7a_100000211617_100000210206 [0,1,0,0,0,0|2,0,0]=3 627 B13R1.589 CC(C)Oc1ccccc1C(C)O 34a_200011232679_100000210206 [0,1,0,0,0,0|3,0,0]=4 628 B13R1.589 CC(C)Oc1ccccc1C(C)O 7a_200011232679_100000210206 [0,1,0,0,0,0|3,0,0]=4 629 B13R1.589 CC(C)Oc1ccccc1[C@@H](C)N 34a_100025703389_100000210206 [0,1,0,0,0,0|3,0,0]=4 630 B13R1.589 CC(C)Oc1cccnc1C(C)C 34a_100012183336_100000210206 [0,1,0,0,0,0|1,0,0]=2 631 B13R1.589 CC(C)Oc1cccnc1C(C)C 7a_100012183336_100000210206 [0,1,0,0,0,0|1,0,0]=2 632 B13R1.589 CC(C)Oc1nccnc1C(=O)N 34a_100011830332_100000210206 [0,1,0,0,0,0|2,0,1]=4 633 B13R1.589 CC(C)Sc1ccccc1C(C)C 62a_100000210206_100000708600 [0,1,0,0,0,0|2,1,0]=4 634 B13R1.589 CC(C)Sc1ccccc1C(C)C 62a_100000708600_100000210206 [0,1,0,0,0,0|2,1,0]=4 635 B13R1.589 CC(C)Sc1cccnc1C(C)N 62a_100000210206_100159271932 [0,1,0,0,0,0|2,1,0]=4 636 B13R1.589 CC(C)Sc1cccnc1C(C)N 62a_100159271932_100000210206 [0,1,0,0,0,0|2,1,0]=4 637 B13R1.589 CC(C)Sc1cccnc1N(C)C 62a_100000210206_100011465059 [0,1,0,0,0,0|2,1,0]=4 638 B13R1.589 CC(C)Sc1cccnc1N(C)C 62a_100011465059_100000210206 [0,1,0,0,0,0|2,1,0]=4 639 B13R1.589 CC(C)Sc1cccnc1[C@H](C)O 62a_100000210206_100013325542 [0,1,0,0,0,0|2,1,0]=4 640 B13R1.589 CC(C)Sc1cccnc1[C@H](C)O 62a_100013325542_100000210206 [0,1,0,0,0,0|2,1,0]=4 641 B13R1.589 CC(C)Sc1cncnc1C(C)C 62a_100000210206_100009816988 [0,1,0,0,0,0|2,1,0]=4 642 B13R1.589 CC(C)Sc1cncnc1C(C)C 62a_100009816988_100000210206 [0,1,0,0,0,0|2,1,0]=4 643 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_100000210206_200010382935 [0,1,0,0,0,0|1,1,0]=3 644 B13R1.589 CC(C)Sc1ncccc1C(C)C 62a_200010382935_100000210206 [0,1,0,0,0,0|1,1,0]=3 645 B13R1.589 CC(C)Sc1ncccc1C(C)O 62a_100000210206_100009865335 [0,1,0,0,0,0|2,1,0]=4 646 B13R1.589 CC(C)Sc1ncccc1C(C)O 62a_100009865335_100000210206 [0,1,0,0,0,0|2,1,0]=4 647 B13R1.589 CC(C)Sc1nccnc1N(C)C 62a_100000210206_100000703087 [0,1,0,0,0,0|1,1,0]=3 648 B13R1.589 CC(C)c1cccnc1CN(C)C 2230a_100102631434_200134614246 [0,1,0,0,0,0|3,0,0]=4 649 B13R1.589 CC(C)c1cccnc1CN(C)C 269982a_100102631434_200134614246 [0,1,0,0,0,0|3,0,0]=4 650 B13R1.2897 CCSc1ncnc(c1C(C)C)N 62a_100000210202_200011913463 [0,1,0,0,0,0|2,1,0]=4 651 B13R1.2897 CCSc1ncnc(c1C(C)C)N 62a_200011913463_100000210202 [0,1,0,0,0,0|2,1,0]=4 652 B13R1.4012 CCNc1c(cccc1C(C)C)Br 2230a_100010571509_100000210202 [0,1,0,0,0,0|3,0,0]=4 653 B13R1.4012 CCNc1c(cccc1C(C)C)Br 34a_100010571509_100000210202 [0,1,0,0,0,0|3,0,0]=4 654 B13R1.4012 CCNc1c(cccc1C(C)C)Br 7a_100010571509_100000210202 [0,1,0,0,0,0|3,0,0]=4 655 B13R1.4012 CCNc1c(cccc1C(C)C)C 2230a_100138557336_100000210202 [0,1,0,0,0,0|3,0,0]=4 656 B13R1.4012 CCNc1c(cccc1C(C)C)C 34a_100138557336_100000210202 [0,1,0,0,0,0|3,0,0]=4 657 B13R1.4012 CCNc1c(cccc1C(C)C)C 7a_100138557336_100000210202 [0,1,0,0,0,0|3,0,0]=4 658 B13R1.4012 CCNc1c(cccc1C(C)C)Cl 2230a_200009958663_100000210202 [0,1,0,0,0,0|3,0,0]=4 659 B13R1.4012 CCNc1c(cccc1C(C)C)Cl 34a_200009958663_100000210202 [0,1,0,0,0,0|3,0,0]=4 660 B13R1.4012 CCNc1c(cccc1C(C)C)Cl 7a_200009958663_100000210202 [0,1,0,0,0,0|3,0,0]=4 661 B11R0.148 CCC=CC=CC=NNC(C)C 4a_100000741168_100103038579 [0,0,1,0,0,0|3,0,0]=4 662 B13R2.268 CC=Cc1ncccc1C2CC2 271570a_100016259895_100009851976 [0,0,0,1,0,0|2,0,1]=4 663 B13R2.268 CCCc1ncncc1C2CC2 271570a_100011220607_100009816987 [0,0,0,1,0,0|3,0,0]=4 664 B13R2.268 CCNc1ccccc1C2CC2 271570a_100011220607_114873767003 [0,0,0,1,0,0|3,0,0]=4 665 B13R2.268 CCNc1ccccc1C2CC2 34a_100011236190_100000210202 [0,0,0,1,0,0|3,0,0]=4 666 B13R2.268 CCNc1cncnc1C2CC2 27a_100015525214_200009889426 [0,0,0,1,0,0|3,0,0]=4 667 B13R2.268 CCOc1ccccc1C2CC2 271570a_100011220607_100000230754 [0,0,0,1,0,0|2,0,0]=3 668 B13R2.268 CCOc1cccnc1C2CC2 271570a_100011220607_100011597540 [0,0,0,1,0,0|1,0,0]=2 669 B13R2.268 CCOc1ncccc1C2CC2 271570a_100011220607_100011465154 [0,0,0,1,0,0|1,0,0]=2 670 B13R2.268 CCOc1nccnc1C2CC2 271570a_100011220607_200010128176 [0,0,0,1,0,0|0,0,0]=1 671 B13R2.268 CCSc1ccccc1C2CC2 271570a_100011220607_100000230856 [0,0,0,1,0,0|2,1,0]=4 672 B13R2.268 CCSc1ccccc1C2CC2 62a_100000210202_100009819954 [0,0,0,1,0,0|2,1,0]=4 673 B13R2.268 CCSc1ccccc1C2CC2 62a_100009819954_100000210202 [0,0,0,1,0,0|2,1,0]=4 674 B13R2.268 CCSc1cncnc1C2CC2 62a_100000210202_200009889426 [0,0,0,1,0,0|2,1,0]=4 675 B13R2.268 CCSc1cncnc1C2CC2 62a_200009889426_100000210202 [0,0,0,1,0,0|2,1,0]=4 676 B13R2.268 CCSc1ncccc1C2CC2 62a_100000210202_100009851976 [0,0,0,1,0,0|1,1,0]=3 677 B13R2.268 CCSc1ncccc1C2CC2 62a_200009850273_100000210202 [0,0,0,1,0,0|1,1,0]=3 678 B13R2.268 CNCc1cccnc1C2CC2 271570a_100011220607_103496529121 [0,0,0,1,0,0|3,0,0]=4 679 B13R2.268 FCSc1ncccc1C2CC2 62a_100015361967_100009851976 [0,0,0,1,0,0|2,1,0]=4 680 B13R2.268 FCSc1ncccc1C2CC2 62a_200009850273_100015361967 [0,0,0,1,0,0|2,1,0]=4 681 B13R2.5514 CC(=O)c1nccnc1C2CC2 271570a_100011220607_100000099859 [0,0,0,1,0,0|2,0,1]=4 682 B13R2.5514 CC(C)c1ccccc1C2CC2 271570a_100011220607_100011218076 [0,0,0,1,0,0|3,0,0]=4 683 B13R2.5514 CC(C)c1cccnc1C2CC2 271570a_100011220607_200010382935 [0,0,0,1,0,0|2,0,0]=3 684 B13R2.5514 CC(C)c1ncncc1C2CC2 271570a_100011220607_100009816988 [0,0,0,1,0,0|3,0,0]=4 685 B13R2.5514 CC(N)c1ncccc1C2CC2 271570a_100011220607_100159271932 [0,0,0,1,0,0|3,0,0]=4 686 B13R2.5514 CC(O)c1cccnc1C2CC2 271570a_100011220607_100009865335 [0,0,0,1,0,0|3,0,0]=4 687 B13R2.5514 CN(C)c1ncccc1C2CC2 271570a_100011220607_100011465059 [0,0,0,1,0,0|3,0,0]=4 688 B13R2.5514 CN(C)c1nccnc1C2CC2 271570a_100011220607_100000703087 [0,0,0,1,0,0|2,0,0]=3 689 B13R2.5514 C[C@H](O)c1ncccc1C2CC2 271570a_100011220607_100013325542 [0,0,0,1,0,0|3,0,0]=4 690 B11R1.193 CC(C)c1ocnc1CO[13CH3] 34a_100012017402_200025704644 [0,0,0,0,1,0|3,0,0]=4 691 B11R1.193 CC(C)c1ocnc1CO[13CH3] 7a_100012017402_200025704644 [0,0,0,0,1,0|3,0,0]=4 692 B11R1.193 CC(C)n1ccnc1CN[13CH3] 2230a_100015183361_200025704644 [0,0,0,0,1,0|3,0,0]=4 693 B11R1.193 CC(C)n1ccnc1CO[13CH3] 34a_100015206047_200025704644 [0,0,0,0,1,0|3,0,0]=4 694 B11R1.193 CC(C)n1ccnc1CO[13CH3] 7a_100015206047_200025704644 [0,0,0,0,1,0|3,0,0]=4 695 B11R1.193 CC(C)n1ccnc1CS[13CH3] 62a_100000765451_200025704644 [0,0,0,0,1,0|3,0,0]=4 696 B11R1.193 CC(C)n1ccnc1CS[13CH3] 62a_200025704644_100000765451 [0,0,0,0,1,0|3,0,0]=4 697 B11R1.193 CC(C)n1ccnc1SCF 62a_100009820211_100015361967 [0,0,0,0,1,0|2,1,0]=4 698 B11R1.193 CC(C)n1ccnc1SCF 62a_100015361967_100009820211 [0,0,0,0,1,0|2,1,0]=4 699 B11R1.193 CC(C)n1nccc1CO[13CH3] 34a_100012179370_200025704644 [0,0,0,0,1,0|3,0,0]=4 700 B11R1.193 CC(C)n1nccc1CO[13CH3] 7a_100012179370_200025704644 [0,0,0,0,1,0|3,0,0]=4 701 B11R1.193 CC(C)n1nccc1SCF 62a_100010264481_100015361967 [0,0,0,0,1,0|2,1,0]=4 702 B11R1.193 CC(C)n1nccc1SCF 62a_100015361967_100010264481 [0,0,0,0,1,0|2,1,0]=4 703 B11R1.193 CC(C)n1ncnc1SCF 62a_100009989917_100015361967 [0,0,0,0,1,0|2,1,0]=4 704 B11R1.193 CC(C)n1ncnc1SCF 62a_100015361967_100009989917 [0,0,0,0,1,0|2,1,0]=4 705 B11R1.193 CC=Cc1ccnn1C(C)C 271570a_100016259895_100010264481 [0,0,0,0,1,0|2,0,1]=4 706 B11R1.193 CC=Cc1nccn1C(C)C 271570a_100016259895_100009820211 [0,0,0,0,1,0|2,0,1]=4 707 B11R1.193 CC=Cc1ncnn1C(C)C 271570a_100016259895_100009989917 [0,0,0,0,1,0|2,0,1]=4 708 B11R1.193 CCNc1ccnn1C(C)C 27a_100015525214_100010264481 [0,0,0,0,1,0|2,0,0]=3 709 B11R1.193 CCNc1ncnn1C(C)C 27a_100015525214_100009989917 [0,0,0,0,1,0|2,0,0]=3 710 B11R1.193 CCSc1ccnn1C(C)C 62a_100000210202_100010264481 [0,0,0,0,1,0|1,1,0]=3 711 B11R1.193 CCSc1ccnn1C(C)C 62a_100010264481_100000210202 [0,0,0,0,1,0|1,1,0]=3 712 B11R1.193 CCSc1cn[nH]c1C(C)C 62a_100000210202_100000690187 [0,0,0,0,1,0|1,1,1]=4 713 B11R1.193 CCSc1cn[nH]c1C(C)C 62a_100000690187_100000210202 [0,0,0,0,1,0|1,1,1]=4 714 B11R1.193 CCSc1nccn1C(C)C 62a_100000210202_100009820211 [0,0,0,0,1,0|1,1,0]=3 715 B11R1.193 CCSc1nccn1C(C)C 62a_100009820211_100000210202 [0,0,0,0,1,0|1,1,0]=3 716 B11R1.193 CCSc1ncnn1C(C)C 62a_100000210202_100009989917 [0,0,0,0,1,0|1,1,0]=3 717 B11R1.193 CCSc1ncnn1C(C)C 62a_100009989917_100000210202 [0,0,0,0,1,0|1,1,0]=3 718 B11R1.193 CNCc1ccnn1C(C)C 207a_100102657272_100000708477 [0,0,0,0,1,0|3,0,0]=4 719 B11R1.193 CNCc1ccnn1C(C)C 270004a_106832991635_100000708477 [0,0,0,0,1,0|3,0,0]=4 720 B11R1.193 CNCc1nccn1C(C)C 2230a_100015183361_200000210301 [0,0,0,0,1,0|3,0,0]=4 721 B11R1.193 CNCc1nccn1C(C)C 2230a_106832991635_100000765451 [0,0,0,0,1,0|3,0,0]=4 722 B11R1.193 CNCc1nccn1C(C)C 34a_100102657272_100000765451 [0,0,0,0,1,0|3,0,0]=4 723 B11R1.193 CNCc1nccn1C(C)C 7a_106832991635_100000765451 [0,0,0,0,1,0|3,0,0]=4 724 B11R1.193 COCc1ccnn1C(C)C 34a_100012179370_200000210301 [0,0,0,0,1,0|3,0,0]=4 725 B11R1.193 COCc1ccnn1C(C)C 7a_100012179370_200000210301 [0,0,0,0,1,0|3,0,0]=4 726 B11R1.193 COCc1nccn1C(C)C 34a_100015206047_200000210301 [0,0,0,0,1,0|3,0,0]=4 727 B11R1.193 COCc1nccn1C(C)C 34a_100138415774_100000765451 [0,0,0,0,1,0|3,0,0]=4 728 B11R1.193 COCc1nccn1C(C)C 7a_100015206047_200000210301 [0,0,0,0,1,0|3,0,0]=4 729 B11R1.193 COCc1ncoc1C(C)C 34a_100012017402_200000210301 [0,0,0,0,1,0|3,0,0]=4 730 B11R1.193 COCc1ncoc1C(C)C 7a_100012017402_200000210301 [0,0,0,0,1,0|3,0,0]=4 731 B11R1.193 CSCc1nccn1C(C)C 62a_100000765451_200000210301 [0,0,0,0,1,0|3,0,0]=4 732 B11R1.193 CSCc1nccn1C(C)C 62a_200000210301_100000765451 [0,0,0,0,1,0|3,0,0]=4 733 B13R1.380 CC(C)Oc1ccccc1OCF 34a_100011218612_100015361967 [0,0,0,0,0,1|3,0,0]=4 734 B13R1.380 CC(C)Oc1ccccc1OCF 7a_100011218612_100015361967 [0,0,0,0,0,1|3,0,0]=4 735 B13R1.380 CC(C)Oc1ncccc1CN[13CH3] 2230a_100000740383_200025704644 [0,0,0,0,0,1|3,0,0]=4 736 B13R1.380 CC(C)Oc1ncccc1SCF 62a_100015361967_200011465186 [0,0,0,0,0,1|2,1,0]=4 737 B13R1.380 CC(C)Oc1ncccc1SCF 62a_200011465186_100015361967 [0,0,0,0,0,1|2,1,0]=4 738 B13R1.380 CC=Cc1cccnc1OC(C)C 271570a_100016259895_200011465186 [0,0,0,0,0,1|2,0,1]=4 739 B13R1.380 CCCc1ccccc1NC(C)C 2230a_100000737634_100000210206 [0,0,0,0,0,1|3,0,0]=4 740 B13R1.380 CCCc1ccccc1NC(C)C 34a_100000737634_100000210206 [0,0,0,0,0,1|3,0,0]=4 741 B13R1.380 CCCc1ccccc1NC(C)C 7a_100000737634_100000210206 [0,0,0,0,0,1|3,0,0]=4 742 B13R1.380 CCCc1ccccc1OC(C)C 34a_100011217252_100000210206 [0,0,0,0,0,1|3,0,0]=4 743 B13R1.380 CCCc1ccccc1OC(C)C 7a_100011217252_100000210206 [0,0,0,0,0,1|3,0,0]=4 744 B13R1.380 CCCc1ncncc1NC(C)C 27a_100138425928_100009816987 [0,0,0,0,0,1|3,0,0]=4 745 B13R1.380 CCCc1ncncc1SC(C)C 62a_100000210206_100009816987 [0,0,0,0,0,1|3,0,0]=4 746 B13R1.380 CCCc1ncncc1SC(C)C 62a_100009816987_100000210206 [0,0,0,0,0,1|3,0,0]=4 747 B13R1.380 CCNc1ccccc1OC(C)C 2230a_100000739276_100000210202 [0,0,0,0,0,1|3,0,0]=4 748 B13R1.380 CCNc1ccccc1OC(C)C 34a_100000739276_100000210202 [0,0,0,0,0,1|3,0,0]=4 749 B13R1.380 CCNc1ccccc1OC(C)C 34a_103624766699_100000210206 [0,0,0,0,0,1|3,0,0]=4 750 B13R1.380 CCNc1ccccc1OC(C)C 7a_103624766699_100000210206 [0,0,0,0,0,1|3,0,0]=4 751 B13R1.380 CCNc1ccccc1SC(C)C 2230a_100000688217_100000210202 [0,0,0,0,0,1|3,0,0]=4 752 B13R1.380 CCNc1ccccc1SC(C)C 34a_100000688217_100000210202 [0,0,0,0,0,1|3,0,0]=4 753 B13R1.380 CCNc1ccccc1SC(C)C 62a_100000210206_114873767003 [0,0,0,0,0,1|3,0,0]=4 754 B13R1.380 CCNc1ccccc1SC(C)C 62a_114873767003_100000210206 [0,0,0,0,0,1|3,0,0]=4 755 B13R1.380 CCOc1ccccc1C=C(C)C 271570a_100102525489_100000230754 [0,0,0,0,0,1|2,0,1]=4 756 B13R1.380 CCOc1ccccc1CN(C)C 2230a_100000742257_200000210301 [0,0,0,0,0,1|3,0,0]=4 757 B13R1.380 CCOc1ccccc1CN(C)C 269982a_100000742257_200000210301 [0,0,0,0,0,1|3,0,0]=4 758 B13R1.380 CCOc1ccccc1CN(C)C 270004a_100102631434_100000169843 [0,0,0,0,0,1|3,0,0]=4 759 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 2230a_100000742257_200025704644 [0,0,0,0,0,1|3,0,0]=4 760 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 269982a_100000742257_200025704644 [0,0,0,0,0,1|3,0,0]=4 761 B13R1.380 CCOc1ccccc1NC(C)C 34a_100000211218_100000210206 [0,0,0,0,0,1|2,0,0]=3 762 B13R1.380 CCOc1ccccc1OC(C)C 34a_100000211404_100000210206 [0,0,0,0,0,1|2,0,0]=3 763 B13R1.380 CCOc1ccccc1OC(C)C 34a_100011218612_100000210202 [0,0,0,0,0,1|2,0,0]=3 764 B13R1.380 CCOc1ccccc1OC(C)C 7a_100000211404_100000210206 [0,0,0,0,0,1|2,0,0]=3 765 B13R1.380 CCOc1ccccc1OC(C)C 7a_100011218612_100000210202 [0,0,0,0,0,1|2,0,0]=3 766 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000210206_100000230754 [0,0,0,0,0,1|2,0,0]=3 767 B13R1.380 CCOc1ccccc1SC(C)C 62a_100000230754_100000210206 [0,0,0,0,0,1|2,0,0]=3 768 B13R1.380 CCOc1cccnc1C=C(C)C 271570a_100102525489_100011597540 [0,0,0,0,0,1|1,0,1]=3 769 B13R1.380 CCOc1cccnc1CN(C)C 270004a_100102631434_100009876934 [0,0,0,0,0,1|2,0,0]=3 770 B13R1.380 CCOc1cccnc1NC(=O)C 34a_200000022013_100000210202 [0,0,0,0,0,1|2,0,1]=4 771 B13R1.380 CCOc1cccnc1NC(=O)C 7a_200000022013_100000210202 [0,0,0,0,0,1|2,0,1]=4 772 B13R1.380 CCOc1cccnc1SC(C)C 62a_100000210206_100011597540 [0,0,0,0,0,1|1,0,0]=2 773 B13R1.380 CCOc1cccnc1SC(C)C 62a_100011597540_100000210206 [0,0,0,0,0,1|1,0,0]=2 774 B13R1.380 CCOc1ncccc1C=C(C)C 271570a_100102525489_100011465154 [0,0,0,0,0,1|1,0,1]=3 775 B13R1.380 CCOc1ncccc1CN(C)C 270004a_100102631434_100011290805 [0,0,0,0,0,1|2,0,0]=3 776 B13R1.380 CCOc1ncccc1OC(C)C 34a_100011998697_100000210206 [0,0,0,0,0,1|1,0,0]=2 777 B13R1.380 CCOc1ncccc1SC(C)C 62a_100000210206_100011465154 [0,0,0,0,0,1|1,0,0]=2 778 B13R1.380 CCOc1ncccc1SC(C)C 62a_100011465154_100000210206 [0,0,0,0,0,1|1,0,0]=2 779 B13R1.380 CCOc1nccnc1C=C(C)C 271570a_100102525489_200010128176 [0,0,0,0,0,1|0,0,1]=2 780 B13R1.380 CCOc1nccnc1NC(C)C 27a_100138425928_200010128176 [0,0,0,0,0,1|0,0,0]=1 781 B13R1.380 CCOc1nccnc1SC(C)C 62a_100000210206_200010128176 [0,0,0,0,0,1|0,0,0]=1 782 B13R1.380 CCOc1nccnc1SC(C)C 62a_200010128176_100000210206 [0,0,0,0,0,1|0,0,0]=1 783 B13R1.380 CCSc1ccccc1NC(C)C 34a_100011223125_100000210206 [0,0,0,0,0,1|2,1,0]=4 784 B13R1.380 CCSc1ccccc1NC(C)C 62a_100000210202_100000219599 [0,0,0,0,0,1|2,1,0]=4 785 B13R1.380 CCSc1ccccc1NC(C)C 62a_100000219599_100000210202 [0,0,0,0,0,1|2,1,0]=4 786 B13R1.380 CCSc1ccccc1OC(C)C 62a_100000173919_100000210202 [0,0,0,0,0,1|2,1,0]=4 787 B13R1.380 CCSc1ccccc1OC(C)C 62a_100000210202_100000173919 [0,0,0,0,0,1|2,1,0]=4 788 B13R1.380 CCSc1ccccc1SC(C)C 62a_100000210206_100000230856 [0,0,0,0,0,1|2,1,0]=4 789 B13R1.380 CCSc1ccccc1SC(C)C 62a_100000230856_100000210206 [0,0,0,0,0,1|2,1,0]=4 790 B13R1.380 CCSc1cccnc1OC(C)C 62a_100000210202_200011465186 [0,0,0,0,0,1|1,1,0]=3 791 B13R1.380 CCSc1cccnc1OC(C)C 62a_200011465186_100000210202 [0,0,0,0,0,1|1,1,0]=3 792 B13R1.380 CNCc1cccnc1OC(C)C 207a_100102657272_100011290806 [0,0,0,0,0,1|3,0,0]=4 793 B13R1.380 CNCc1cccnc1OC(C)C 2230a_100000740383_200000210301 [0,0,0,0,0,1|3,0,0]=4 794 B13R1.380 CNCc1cccnc1OC(C)C 270004a_106832991635_100011290806 [0,0,0,0,0,1|3,0,0]=4 795 B13R1.380 CNCc1cccnc1SC(C)C 62a_100000210206_103496529121 [0,0,0,0,0,1|3,0,0]=4 796 B13R1.380 CNCc1cccnc1SC(C)C 62a_103496529121_100000210206 [0,0,0,0,0,1|3,0,0]=4 797 B10R0.4 CCCC=CC=NNC(C)C 4a_100000741168_100016266791 [1,0,1,0,0,0|2,0,0]=4 798 B10R1.4 CC=Cc1nccnc1C 271570a_100016259895_100011999405 [2,0,0,0,0,0|1,0,1]=4 799 B10R1.4 CCNc1nccnc1C 27a_100015525214_100011999405 [2,0,0,0,0,0|1,0,0]=3 800 B10R1.4 CCNc1nccnc1F 27a_100015525214_200010125657 [2,0,0,0,0,0|2,0,0]=4 801 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [2,0,0,0,0,0|2,0,0]=4 802 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [2,0,0,0,0,0|2,0,0]=4 803 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [2,0,0,0,0,0|2,0,0]=4 804 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [2,0,0,0,0,0|2,0,0]=4 805 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [2,0,0,0,0,0|1,0,0]=3 806 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [2,0,0,0,0,0|1,0,0]=3 807 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [2,0,0,0,0,0|2,0,0]=4 808 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [2,0,0,0,0,0|2,0,0]=4 809 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [2,0,0,0,0,0|2,0,0]=4 810 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [2,0,0,0,0,0|2,0,0]=4 811 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [2,0,0,0,0,0|2,0,0]=4 812 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [2,0,0,0,0,0|2,0,0]=4 813 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [2,0,0,0,0,0|2,0,0]=4 814 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [2,0,0,0,0,0|2,0,0]=4 815 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [2,0,0,0,0,0|2,0,0]=4 816 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [2,0,0,0,0,0|2,0,0]=4 817 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [2,0,0,0,0,0|2,0,0]=4 818 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [2,0,0,0,0,0|2,0,0]=4 819 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [2,0,0,0,0,0|2,0,0]=4 820 B10R1.4 CCOc1nccnc1C 34a_100000766352_100000210202 [2,0,0,0,0,0|0,0,0]=2 821 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [2,0,0,0,0,0|1,0,0]=3 822 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [2,0,0,0,0,0|1,1,0]=4 823 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [2,0,0,0,0,0|1,1,0]=4 824 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [2,0,0,0,0,0|1,1,0]=4 825 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [2,0,0,0,0,0|1,1,0]=4 826 B10R1.4 CCSc1nccnc1C 62a_100000210202_100011999405 [2,0,0,0,0,0|0,1,0]=3 827 B10R1.4 CCSc1nccnc1C 62a_100011999405_100000210202 [2,0,0,0,0,0|0,1,0]=3 828 B10R1.4 CCSc1nccnc1Cl 62a_100000210202_100010886584 [2,0,0,0,0,0|1,1,0]=4 829 B10R1.4 CCSc1nccnc1Cl 62a_100010886584_100000210202 [2,0,0,0,0,0|1,1,0]=4 830 B10R1.4 CCSc1nccnc1F 62a_100000210202_200010125657 [2,0,0,0,0,0|1,1,0]=4 831 B10R1.4 CCSc1nccnc1F 62a_200010125657_100000210202 [2,0,0,0,0,0|1,1,0]=4 832 B10R1.4 CCSc1nccnc1N 62a_100000210202_100000747729 [2,0,0,0,0,0|1,1,0]=4 833 B10R1.4 CCSc1nccnc1N 62a_100000747729_100000210202 [2,0,0,0,0,0|1,1,0]=4 834 B10R1.4 CNCc1nccnc1C 2230a_100020641712_200000210301 [2,0,0,0,0,0|2,0,0]=4 835 B10R1.4 CNCc1nccnc1C 270004a_106832991635_100000050726 [2,0,0,0,0,0|2,0,0]=4 836 B10R1.4 CNCc1nccnc1C 34a_100020641712_200000210301 [2,0,0,0,0,0|2,0,0]=4 837 B10R1.4 Cc1ncccc1OCF 34a_100000745507_100015361967 [2,0,0,0,0,0|2,0,0]=4 838 B10R1.4 Cc1ncccc1OCF 7a_100000745507_100015361967 [2,0,0,0,0,0|2,0,0]=4 839 B10R1.4 Cc1nccnc1CN[13CH3] 2230a_100020641712_200025704644 [2,0,0,0,0,0|2,0,0]=4 840 B10R1.4 Cc1nccnc1CN[13CH3] 34a_100020641712_200025704644 [2,0,0,0,0,0|2,0,0]=4 841 B10R1.4 Cc1nccnc1OCF 34a_100000766352_100015361967 [2,0,0,0,0,0|1,0,0]=3 842 B10R1.4 Cc1nccnc1SCF 62a_100011999405_100015361967 [2,0,0,0,0,0|1,1,0]=4 843 B10R1.4 Cc1nccnc1SCF 62a_100015361967_100011999405 [2,0,0,0,0,0|1,1,0]=4 844 B10R1.20 C=Cc1nccnc1CC 271570a_100011290941_100011995844 [2,0,0,0,0,0|0,0,2]=4 845 B10R1.20 C=Cc1nccnc1OC 271570a_100011290941_100000749998 [2,0,0,0,0,0|0,0,2]=4 846 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [2,0,0,0,0,0|2,0,0]=4 847 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [2,0,0,0,0,0|2,0,0]=4 848 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [2,0,0,0,0,0|2,0,0]=4 849 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [2,0,0,0,0,0|2,0,0]=4 850 B10R1.20 CCc1ncccc1SC 62a_100009877225_200000210301 [2,0,0,0,0,0|1,1,0]=4 851 B10R1.20 CCc1ncccc1SC 62a_200000210301_100009877225 [2,0,0,0,0,0|1,1,0]=4 852 B10R1.20 CCc1ncccc1S[13CH3] 62a_100009877225_200025704644 [2,0,0,0,0,0|1,1,0]=4 853 B10R1.20 CCc1ncccc1S[13CH3] 62a_200025704644_100009877225 [2,0,0,0,0,0|1,1,0]=4 854 B10R1.20 CCc1nccnc1NC 27a_100102657272_100011995844 [2,0,0,0,0,0|1,0,0]=3 855 B10R1.20 CCc1nccnc1SC 62a_100011995844_200000210301 [2,0,0,0,0,0|0,1,0]=3 856 B10R1.20 CCc1nccnc1SC 62a_200000210301_100011995844 [2,0,0,0,0,0|0,1,0]=3 857 B10R1.20 CCc1nccnc1S[13CH3] 62a_100011995844_200025704644 [2,0,0,0,0,0|0,1,0]=3 858 B10R1.20 CCc1nccnc1S[13CH3] 62a_200025704644_100011995844 [2,0,0,0,0,0|0,1,0]=3 859 B10R1.20 CNc1nccnc1OC 27a_100102657272_100009858322 [2,0,0,0,0,0|1,0,0]=3 860 B10R1.20 CNc1nccnc1SC 62a_200000210301_100011529439 [2,0,0,0,0,0|1,1,0]=4 861 B10R1.20 CNc1nccnc1S[13CH3] 62a_200025704644_100011529439 [2,0,0,0,0,0|1,1,0]=4 862 B10R1.20 COc1cccnc1CBr 34a_200020655725_200000210301 [2,0,0,0,0,0|2,0,0]=4 863 B10R1.20 COc1cccnc1CBr 7a_200020655725_200000210301 [2,0,0,0,0,0|2,0,0]=4 864 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [2,0,0,0,0,0|2,0,0]=4 865 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [2,0,0,0,0,0|2,0,0]=4 866 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [2,0,0,0,0,0|2,0,0]=4 867 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [2,0,0,0,0,0|2,0,0]=4 868 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [2,0,0,0,0,0|2,0,0]=4 869 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [2,0,0,0,0,0|2,0,0]=4 870 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [2,0,0,0,0,0|2,0,0]=4 871 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [2,0,0,0,0,0|2,0,0]=4 872 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [2,0,0,0,0,0|2,0,0]=4 873 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [2,0,0,0,0,0|2,0,0]=4 874 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [2,0,0,0,0,0|2,0,0]=4 875 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [2,0,0,0,0,0|2,0,0]=4 876 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [2,0,0,0,0,0|2,0,0]=4 877 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [2,0,0,0,0,0|2,0,0]=4 878 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [2,0,0,0,0,0|2,0,0]=4 879 B10R1.20 COc1nccnc1SC 62a_100009858322_200000210301 [2,0,0,0,0,0|1,0,0]=3 880 B10R1.20 COc1nccnc1SC 62a_200000210301_100000749998 [2,0,0,0,0,0|1,0,0]=3 881 B10R1.20 COc1nccnc1S[13CH3] 62a_100009858322_200025704644 [2,0,0,0,0,0|1,0,0]=3 882 B10R1.20 COc1nccnc1S[13CH3] 62a_200025704644_100000749998 [2,0,0,0,0,0|1,0,0]=3 883 B10R1.20 CSc1nccnc1CN 62a_100000729963_200000210301 [2,0,0,0,0,0|1,1,0]=4 884 B10R1.20 CSc1nccnc1CN 62a_200000210301_100000729963 [2,0,0,0,0,0|1,1,0]=4 885 B10R1.20 CSc1nccnc1CO 62a_100000057004_200000210301 [2,0,0,0,0,0|1,1,0]=4 886 B10R1.20 CSc1nccnc1CO 62a_200000210301_100000057004 [2,0,0,0,0,0|1,1,0]=4 887 B10R1.20 [13CH3]Oc1cccnc1CBr 34a_200020655725_200025704644 [2,0,0,0,0,0|2,0,0]=4 888 B10R1.20 [13CH3]Oc1cccnc1CBr 7a_200020655725_200025704644 [2,0,0,0,0,0|2,0,0]=4 889 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [2,0,0,0,0,0|2,0,0]=4 890 B10R1.20 [13CH3]Sc1nccnc1CN 62a_100000729963_200025704644 [2,0,0,0,0,0|1,1,0]=4 891 B10R1.20 [13CH3]Sc1nccnc1CN 62a_200025704644_100000729963 [2,0,0,0,0,0|1,1,0]=4 892 B10R1.20 [13CH3]Sc1nccnc1CO 62a_100000057004_200025704644 [2,0,0,0,0,0|1,1,0]=4 893 B10R1.20 [13CH3]Sc1nccnc1CO 62a_200025704644_100000057004 [2,0,0,0,0,0|1,1,0]=4 894 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [2,0,0,0,0,0|0,0,2]=4 895 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [2,0,0,0,0,0|1,0,1]=4 896 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [2,0,0,0,0,0|2,0,0]=4 897 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [2,0,0,0,0,0|1,0,0]=3 898 B10R1.61 CC(C)c1ncncc1O 271570a_203496583355_100009816988 [2,0,0,0,0,0|2,0,0]=4 899 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [2,0,0,0,0,0|2,0,0]=4 900 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [2,0,0,0,0,0|2,0,0]=4 901 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [2,0,0,0,0,0|2,0,0]=4 902 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [2,0,0,0,0,0|2,0,0]=4 903 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [2,0,0,0,0,0|1,0,0]=3 904 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [2,0,0,0,0,0|2,0,0]=4 905 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [2,0,0,0,0,0|1,0,0]=3 906 B12R0.277 CCOC(=O)C=CC=NNC(C)C 4a_100000741168_100016289910 [0,1,1,0,0,0|2,0,0]=4 907 B12R1.75 CC(C)Oc1cccnc1CBr 34a_200020655725_100000210206 [1,1,0,0,0,0|2,0,0]=4 908 B12R1.75 CC(C)Oc1cccnc1CBr 7a_200020655725_100000210206 [1,1,0,0,0,0|2,0,0]=4 909 B12R1.75 CC(C)Oc1cccnc1CO 34a_100000731849_100000210206 [1,1,0,0,0,0|2,0,0]=4 910 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200011465186_200025704644 [1,1,0,0,0,0|2,0,0]=4 911 B12R1.75 CC(C)Oc1ncccc1S[13CH3] 62a_200025704644_200011465186 [1,1,0,0,0,0|2,0,0]=4 912 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000210206_100000729963 [1,1,0,0,0,0|1,1,0]=4 913 B12R1.75 CC(C)Sc1nccnc1CN 62a_100000729963_100000210206 [1,1,0,0,0,0|1,1,0]=4 914 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000057004_100000210206 [1,1,0,0,0,0|1,1,0]=4 915 B12R1.75 CC(C)Sc1nccnc1CO 62a_100000210206_100000057004 [1,1,0,0,0,0|1,1,0]=4 916 B12R1.75 CCc1ccccc1OC(C)C 34a_100000210936_100000210206 [1,1,0,0,0,0|2,0,0]=4 917 B12R1.75 CCc1ccccc1OC(C)C 7a_100000210936_100000210206 [1,1,0,0,0,0|2,0,0]=4 918 B12R1.75 CCc1ncccc1SC(C)C 62a_100000210206_100009877225 [1,1,0,0,0,0|1,1,0]=4 919 B12R1.75 CCc1ncccc1SC(C)C 62a_100009877225_100000210206 [1,1,0,0,0,0|1,1,0]=4 920 B12R1.75 CCc1nccnc1C=C(C)C 271570a_100102525489_100011995844 [1,1,0,0,0,0|1,0,1]=4 921 B12R1.75 CCc1nccnc1NC(C)C 27a_100138425928_100011995844 [1,1,0,0,0,0|1,0,0]=3 922 B12R1.75 CCc1nccnc1SC(C)C 62a_100000210206_100011995844 [1,1,0,0,0,0|0,1,0]=3 923 B12R1.75 CCc1nccnc1SC(C)C 62a_100011995844_100000210206 [1,1,0,0,0,0|0,1,0]=3 924 B12R1.75 CNc1nccnc1SC(C)C 62a_100000210206_100011529439 [1,1,0,0,0,0|1,1,0]=4 925 B12R1.75 COc1cccnc1OC(C)C 34a_100025773188_100000210206 [1,1,0,0,0,0|2,0,0]=4 926 B12R1.75 COc1ncccc1OC(C)C 34a_100000698397_100000210206 [1,1,0,0,0,0|2,0,0]=4 927 B12R1.75 COc1ncccc1OC(C)C 7a_100000698397_100000210206 [1,1,0,0,0,0|2,0,0]=4 928 B12R1.75 COc1nccnc1NC(C)C 27a_100138425928_100009858322 [1,1,0,0,0,0|2,0,0]=4 929 B12R1.75 COc1nccnc1SC(C)C 62a_100000210206_100000749998 [1,1,0,0,0,0|1,1,0]=4 930 B12R1.75 COc1nccnc1SC(C)C 62a_100009858322_100000210206 [1,1,0,0,0,0|1,1,0]=4 931 B12R1.75 CSc1cccnc1OC(C)C 62a_200000210301_200011465186 [1,1,0,0,0,0|2,0,0]=4 932 B12R1.75 CSc1cccnc1OC(C)C 62a_200011465186_200000210301 [1,1,0,0,0,0|2,0,0]=4 933 B12R1.77 CCc1nccnc1C(C)NC 269862a_106832991636_100000033879 [1,1,0,0,0,0|2,0,0]=4 934 B12R1.112 CCOc1ccc(cc1CC)Br 34a_100012338938_100000210202 [1,1,0,0,0,0|2,0,0]=4 935 B12R1.112 CCOc1ccc(cc1CC)Br 7a_100012338938_100000210202 [1,1,0,0,0,0|2,0,0]=4 936 B12R1.112 CCOc1ccc(cc1CC)C 34a_100009844793_100000210202 [1,1,0,0,0,0|2,0,0]=4 937 B12R1.112 CCOc1ccc(cc1CC)C 7a_100009844793_100000210202 [1,1,0,0,0,0|2,0,0]=4 938 B12R1.112 CCOc1ccc(cc1CC)F 34a_200000035566_100000210202 [1,1,0,0,0,0|2,0,0]=4 939 B12R1.112 CCOc1ccc(cc1CC)F 7a_200000035566_100000210202 [1,1,0,0,0,0|2,0,0]=4 940 B12R1.112 CCOc1ccc(cc1CC)O 271570a_203496583355_200010070707 [1,1,0,0,0,0|2,0,0]=4 941 B12R1.112 CCOc1ccc(nc1CC)C 34a_100000718140_100000210202 [1,1,0,0,0,0|1,0,0]=3 942 B12R1.112 CCOc1ccc(nc1CC)C 7a_100000718140_100000210202 [1,1,0,0,0,0|1,0,0]=3 943 B12R1.112 CCOc1ccc(nc1CCl)C 34a_100020630696_100000210202 [1,1,0,0,0,0|2,0,0]=4 944 B12R1.112 CCOc1ccc(nc1CCl)C 7a_100020630696_100000210202 [1,1,0,0,0,0|2,0,0]=4 945 B12R1.112 CCOc1ccc(nc1CO)C 34a_100000751967_100000210202 [1,1,0,0,0,0|2,0,0]=4 946 B12R1.112 CCOc1ccc(nc1OC)Br 34a_100010893133_100000210202 [1,1,0,0,0,0|2,0,0]=4 947 B12R1.112 CCOc1ncc(cc1OC)Cl 34a_200009845368_100000210202 [1,1,0,0,0,0|2,0,0]=4 948 B12R1.112 CCOc1ncc(cc1OC)O 271570a_203496583355_200010116856 [1,1,0,0,0,0|2,0,0]=4 949 B12R1.112 CCOc1ncc(cc1SC)Br 62a_200000210301_200010177599 [1,1,0,0,0,0|2,0,0]=4 950 B12R1.112 CCOc1ncc(cc1SC)Br 62a_200010177599_200000210301 [1,1,0,0,0,0|2,0,0]=4 951 B12R1.112 CCOc1ncc(cc1S[13CH3])Br 62a_200010177599_200025704644 [1,1,0,0,0,0|2,0,0]=4 952 B12R1.112 CCOc1ncc(cc1S[13CH3])Br 62a_200025704644_200010177599 [1,1,0,0,0,0|2,0,0]=4 953 B12R1.112 CCSc1ncc(nc1OC)Br 62a_100000210202_100010214903 [1,1,0,0,0,0|1,1,0]=4 954 B12R1.112 CCSc1ncc(nc1OC)Br 62a_100010214903_100000210202 [1,1,0,0,0,0|1,1,0]=4 955 B12R1.112 CCSc1ncc(nc1OC)N 62a_100000210202_100010128448 [1,1,0,0,0,0|1,1,0]=4 956 B12R1.112 CCSc1ncc(nc1OC)N 62a_100010128448_100000210202 [1,1,0,0,0,0|1,1,0]=4 957 B12R1.112 CCc1nc(ccc1OCF)C 34a_100000718140_100015361967 [1,1,0,0,0,0|2,0,0]=4 958 B12R1.112 CCc1nc(ccc1OCF)C 7a_100000718140_100015361967 [1,1,0,0,0,0|2,0,0]=4 959 B12R1.121 C#CCNc1nccnc1CC 27a_100000212058_100011995844 [1,1,0,0,0,0|1,0,1]=4 960 B12R1.121 C#CCSc1nccnc1CC 62a_100000038162_100011995844 [1,1,0,0,0,0|0,1,1]=4 961 B12R1.121 C=CCNc1nccnc1CC 27a_100020586998_100011995844 [1,1,0,0,0,0|1,0,1]=4 962 B12R1.121 C=CCSc1nccnc1CC 62a_100000210623_100011995844 [1,1,0,0,0,0|0,1,1]=4 963 B12R1.121 C=CCSc1nccnc1CC 62a_100011995844_100000210623 [1,1,0,0,0,0|0,1,1]=4 964 B12R1.121 CCCCc1cccnc1CC 271570a_100020621405_100009877225 [1,1,0,0,0,0|2,0,0]=4 965 B12R1.121 CCCCc1nccnc1CC 271570a_100020621405_100011995844 [1,1,0,0,0,0|1,0,0]=3 966 B12R1.121 CCCCc1nccnc1CN 271570a_100020621405_100000729963 [1,1,0,0,0,0|2,0,0]=4 967 B12R1.121 CCCCc1nccnc1CO 271570a_100020621405_100000057004 [1,1,0,0,0,0|2,0,0]=4 968 B12R1.121 CCCCc1nccnc1NC 271570a_100020621405_100011529439 [1,1,0,0,0,0|2,0,0]=4 969 B12R1.121 CCCCc1nccnc1OC 271570a_100020621405_100000749998 [1,1,0,0,0,0|2,0,0]=4 970 B12R1.121 CCCOc1ccccc1CC 34a_100000210936_100000210303 [1,1,0,0,0,0|2,0,0]=4 971 B12R1.121 CCCOc1ccccc1CC 7a_100000210936_100000210303 [1,1,0,0,0,0|2,0,0]=4 972 B12R1.121 CCCOc1cccnc1CBr 34a_200020655725_100000210303 [1,1,0,0,0,0|2,0,0]=4 973 B12R1.121 CCCOc1cccnc1CBr 7a_200020655725_100000210303 [1,1,0,0,0,0|2,0,0]=4 974 B12R1.121 CCCOc1cccnc1CO 34a_100000731849_100000210303 [1,1,0,0,0,0|2,0,0]=4 975 B12R1.121 CCCOc1cccnc1OC 34a_100000698397_100000210303 [1,1,0,0,0,0|2,0,0]=4 976 B12R1.121 CCCOc1cccnc1OC 7a_100000698397_100000210303 [1,1,0,0,0,0|2,0,0]=4 977 B12R1.121 CCCOc1ncccc1OC 34a_100025773188_100000210303 [1,1,0,0,0,0|2,0,0]=4 978 B12R1.121 CCCOc1ncccc1SC 62a_200000210301_200011465209 [1,1,0,0,0,0|2,0,0]=4 979 B12R1.121 CCCOc1ncccc1SC 62a_200011465209_200000210301 [1,1,0,0,0,0|2,0,0]=4 980 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200011465209_200025704644 [1,1,0,0,0,0|2,0,0]=4 981 B12R1.121 CCCOc1ncccc1S[13CH3] 62a_200025704644_200011465209 [1,1,0,0,0,0|2,0,0]=4 982 B12R1.121 CCCSc1cccnc1CC 62a_100000210303_100009877225 [1,1,0,0,0,0|1,1,0]=4 983 B12R1.121 CCCSc1cccnc1CC 62a_100009877225_100000210303 [1,1,0,0,0,0|1,1,0]=4 984 B12R1.121 CCCSc1nccnc1CC 62a_100000210303_100011995844 [1,1,0,0,0,0|0,1,0]=3 985 B12R1.121 CCCSc1nccnc1CC 62a_100011995844_100000210303 [1,1,0,0,0,0|0,1,0]=3 986 B12R1.121 CCCSc1nccnc1CN 62a_100000210303_100000729963 [1,1,0,0,0,0|1,1,0]=4 987 B12R1.121 CCCSc1nccnc1CN 62a_100000729963_100000210303 [1,1,0,0,0,0|1,1,0]=4 988 B12R1.121 CCCSc1nccnc1CO 62a_100000057004_100000210303 [1,1,0,0,0,0|1,1,0]=4 989 B12R1.121 CCCSc1nccnc1CO 62a_100000210303_100000057004 [1,1,0,0,0,0|1,1,0]=4 990 B12R1.121 CCCSc1nccnc1NC 62a_100000210303_100011529439 [1,1,0,0,0,0|1,1,0]=4 991 B12R1.121 CCCSc1nccnc1OC 62a_100000210303_100000749998 [1,1,0,0,0,0|1,1,0]=4 992 B12R1.121 CCCSc1nccnc1OC 62a_100009858322_100000210303 [1,1,0,0,0,0|1,1,0]=4 993 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [1,1,0,0,0,0|2,0,0]=4 994 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [1,1,0,0,0,0|2,0,0]=4 995 B12R1.121 CCOCc1cccnc1OC 34a_100000717863_100000210202 [1,1,0,0,0,0|2,0,0]=4 996 B12R1.121 CCOCc1cccnc1OC 34a_100121572206_100020631285 [1,1,0,0,0,0|2,0,0]=4 997 B12R1.121 CCOCc1ncccc1OC 34a_100011998681_100000210202 [1,1,0,0,0,0|2,0,0]=4 998 B12R1.121 CCc1ccccc1OCCF 34a_100000210936_100011217306 [1,1,0,0,0,0|2,0,0]=4 999 B12R1.121 CCc1ccccc1OCCF 7a_100000210936_100011217306 [1,1,0,0,0,0|2,0,0]=4 1000 B12R1.121 CCc1ccccc1OCCO 34a_100000210936_100000211926 [1,1,0,0,0,0|2,0,0]=4 1001 B12R1.121 CCc1ccccc1OCCO 7a_100000210936_100000211926 [1,1,0,0,0,0|2,0,0]=4 1002 B12R1.121 CCc1ccccc1OCSC 34a_100000210936_100011218213 [1,1,0,0,0,0|2,0,0]=4 1003 B12R1.121 CCc1ncccc1SCCF 62a_100009877225_100011217306 [1,1,0,0,0,0|1,1,0]=4 1004 B12R1.121 CCc1ncccc1SCCF 62a_100011217306_100009877225 [1,1,0,0,0,0|1,1,0]=4 1005 B12R1.121 CCc1ncccc1SCCO 62a_100000211926_100009877225 [1,1,0,0,0,0|1,1,0]=4 1006 B12R1.121 CCc1ncccc1SCCO 62a_100009877225_100000211926 [1,1,0,0,0,0|1,1,0]=4 1007 B12R1.121 CCc1ncccc1SCOC 62a_100000766300_100009877225 [1,1,0,0,0,0|1,1,0]=4 1008 B12R1.121 CCc1ncccc1SCOC 62a_100009877225_100000766300 [1,1,0,0,0,0|1,1,0]=4 1009 B12R1.121 CCc1ncccc1SCSC 62a_100009877225_100011218213 [1,1,0,0,0,0|1,1,0]=4 1010 B12R1.121 CCc1ncccc1SCSC 62a_100011218213_100009877225 [1,1,0,0,0,0|1,1,0]=4 1011 B12R1.121 CCc1nccnc1NCCO 27a_100000210304_100011995844 [1,1,0,0,0,0|1,0,0]=3 1012 B12R1.121 CCc1nccnc1SCC#N 62a_100011215382_100011995844 [1,1,0,0,0,0|0,1,1]=4 1013 B12R1.121 CCc1nccnc1SCC#N 62a_100011995844_100011215382 [1,1,0,0,0,0|0,1,1]=4 1014 B12R1.121 CCc1nccnc1SCC=O 62a_100011995844_200015260668 [1,1,0,0,0,0|0,1,1]=4 1015 B12R1.121 CCc1nccnc1SCC=O 62a_200015260668_100011995844 [1,1,0,0,0,0|0,1,1]=4 1016 B12R1.121 CCc1nccnc1SCCF 62a_100011217306_100011995844 [1,1,0,0,0,0|0,1,0]=3 1017 B12R1.121 CCc1nccnc1SCCF 62a_100011995844_100011217306 [1,1,0,0,0,0|0,1,0]=3 1018 B12R1.121 CCc1nccnc1SCCO 62a_100000211926_100011995844 [1,1,0,0,0,0|0,1,0]=3 1019 B12R1.121 CCc1nccnc1SCCO 62a_100011995844_100000211926 [1,1,0,0,0,0|0,1,0]=3 1020 B12R1.121 CCc1nccnc1SCOC 62a_100000766300_100011995844 [1,1,0,0,0,0|0,1,0]=3 1021 B12R1.121 CCc1nccnc1SCOC 62a_100011995844_100000766300 [1,1,0,0,0,0|0,1,0]=3 1022 B12R1.121 CCc1nccnc1SCSC 62a_100011218213_100011995844 [1,1,0,0,0,0|0,1,0]=3 1023 B12R1.121 CCc1nccnc1SCSC 62a_100011995844_100011218213 [1,1,0,0,0,0|0,1,0]=3 1024 B12R1.121 CNc1ncccc1OCCF 27a_100102657272_100012814765 [1,1,0,0,0,0|2,0,0]=4 1025 B12R1.121 CNc1nccnc1SCCF 62a_100011217306_100011529439 [1,1,0,0,0,0|1,1,0]=4 1026 B12R1.121 CNc1nccnc1SCCO 62a_100000211926_100011529439 [1,1,0,0,0,0|1,1,0]=4 1027 B12R1.121 CNc1nccnc1SCOC 62a_100000766300_100011529439 [1,1,0,0,0,0|1,1,0]=4 1028 B12R1.121 CNc1nccnc1SCSC 62a_100011218213_100011529439 [1,1,0,0,0,0|1,1,0]=4 1029 B12R1.121 COCOc1cccnc1SC 62a_100011935308_200000210301 [1,1,0,0,0,0|2,0,0]=4 1030 B12R1.121 COCOc1cccnc1SC 62a_200000210301_100011935308 [1,1,0,0,0,0|2,0,0]=4 1031 B12R1.121 COCOc1cccnc1S[13CH3] 62a_100011935308_200025704644 [1,1,0,0,0,0|2,0,0]=4 1032 B12R1.121 COCOc1cccnc1S[13CH3] 62a_200025704644_100011935308 [1,1,0,0,0,0|2,0,0]=4 1033 B12R1.121 COCSc1nccnc1CN 62a_100000729963_100000766300 [1,1,0,0,0,0|1,1,0]=4 1034 B12R1.121 COCSc1nccnc1CN 62a_100000766300_100000729963 [1,1,0,0,0,0|1,1,0]=4 1035 B12R1.121 COCSc1nccnc1CO 62a_100000057004_100000766300 [1,1,0,0,0,0|1,1,0]=4 1036 B12R1.121 COCSc1nccnc1CO 62a_100000766300_100000057004 [1,1,0,0,0,0|1,1,0]=4 1037 B12R1.121 COCSc1nccnc1OC 62a_100000766300_100000749998 [1,1,0,0,0,0|1,1,0]=4 1038 B12R1.121 COCSc1nccnc1OC 62a_100009858322_100000766300 [1,1,0,0,0,0|1,1,0]=4 1039 B12R1.121 COc1cccnc1OCCF 34a_100025773188_100011217306 [1,1,0,0,0,0|2,0,0]=4 1040 B12R1.121 COc1cccnc1OCCO 34a_100025773188_100000211926 [1,1,0,0,0,0|2,0,0]=4 1041 B12R1.121 COc1cccnc1OCSC 34a_100025773188_100011218213 [1,1,0,0,0,0|2,0,0]=4 1042 B12R1.121 COc1ncccc1OCCF 34a_100000698397_100011217306 [1,1,0,0,0,0|2,0,0]=4 1043 B12R1.121 COc1ncccc1OCCF 7a_100000698397_100011217306 [1,1,0,0,0,0|2,0,0]=4 1044 B12R1.121 COc1ncccc1OCCO 34a_100000698397_100000211926 [1,1,0,0,0,0|2,0,0]=4 1045 B12R1.121 COc1ncccc1OCCO 7a_100000698397_100000211926 [1,1,0,0,0,0|2,0,0]=4 1046 B12R1.121 COc1ncccc1OCSC 34a_100000698397_100011218213 [1,1,0,0,0,0|2,0,0]=4 1047 B12R1.121 COc1nccnc1NCCO 27a_100000210304_100009858322 [1,1,0,0,0,0|2,0,0]=4 1048 B12R1.121 COc1nccnc1SCCF 62a_100009858322_100011217306 [1,1,0,0,0,0|1,1,0]=4 1049 B12R1.121 COc1nccnc1SCCF 62a_100011217306_100000749998 [1,1,0,0,0,0|1,1,0]=4 1050 B12R1.121 COc1nccnc1SCCO 62a_100000211926_100000749998 [1,1,0,0,0,0|1,1,0]=4 1051 B12R1.121 COc1nccnc1SCCO 62a_100009858322_100000211926 [1,1,0,0,0,0|1,1,0]=4 1052 B12R1.121 COc1nccnc1SCSC 62a_100009858322_100011218213 [1,1,0,0,0,0|1,1,0]=4 1053 B12R1.121 COc1nccnc1SCSC 62a_100011218213_100000749998 [1,1,0,0,0,0|1,1,0]=4 1054 B12R1.121 CSCOc1cccnc1CBr 34a_200020655725_100011218213 [1,1,0,0,0,0|2,0,0]=4 1055 B12R1.121 CSCOc1cccnc1CO 34a_100000731849_100011218213 [1,1,0,0,0,0|2,0,0]=4 1056 B12R1.121 CSCSc1nccnc1CN 62a_100000729963_100011218213 [1,1,0,0,0,0|1,1,0]=4 1057 B12R1.121 CSCSc1nccnc1CN 62a_100011218213_100000729963 [1,1,0,0,0,0|1,1,0]=4 1058 B12R1.121 CSCSc1nccnc1CO 62a_100000057004_100011218213 [1,1,0,0,0,0|1,1,0]=4 1059 B12R1.121 CSCSc1nccnc1CO 62a_100011218213_100000057004 [1,1,0,0,0,0|1,1,0]=4 1060 B12R1.121 CSc1ncccc1OCCF 62a_100012814765_200000210301 [1,1,0,0,0,0|2,0,0]=4 1061 B12R1.121 CSc1ncccc1OCCF 62a_200000210301_100012814765 [1,1,0,0,0,0|2,0,0]=4 1062 B12R1.121 CSc1nccnc1NCCO 62a_200000210301_200011219046 [1,1,0,0,0,0|2,0,0]=4 1063 B12R1.121 CSc1nccnc1NCCO 62a_200011219046_200000210301 [1,1,0,0,0,0|2,0,0]=4 1064 B12R1.121 FCCOc1cccnc1CBr 34a_200020655725_100011217306 [1,1,0,0,0,0|2,0,0]=4 1065 B12R1.121 FCCOc1cccnc1CBr 7a_200020655725_100011217306 [1,1,0,0,0,0|2,0,0]=4 1066 B12R1.121 NCc1nccnc1SCCF 62a_100000729963_100011217306 [1,1,0,0,0,0|1,1,0]=4 1067 B12R1.121 NCc1nccnc1SCCF 62a_100011217306_100000729963 [1,1,0,0,0,0|1,1,0]=4 1068 B12R1.121 NCc1nccnc1SCCO 62a_100000211926_100000729963 [1,1,0,0,0,0|1,1,0]=4 1069 B12R1.121 NCc1nccnc1SCCO 62a_100000729963_100000211926 [1,1,0,0,0,0|1,1,0]=4 1070 B12R1.121 OCCOc1cccnc1CBr 34a_200020655725_100000211926 [1,1,0,0,0,0|2,0,0]=4 1071 B12R1.121 OCCOc1cccnc1CBr 7a_200020655725_100000211926 [1,1,0,0,0,0|2,0,0]=4 1072 B12R1.121 OCCOc1cccnc1CO 34a_100000731849_100000211926 [1,1,0,0,0,0|2,0,0]=4 1073 B12R1.121 OCCSc1nccnc1CO 62a_100000057004_100000211926 [1,1,0,0,0,0|1,1,0]=4 1074 B12R1.121 OCCSc1nccnc1CO 62a_100000211926_100000057004 [1,1,0,0,0,0|1,1,0]=4 1075 B12R1.121 OCc1ncccc1OCCF 34a_100000731849_100011217306 [1,1,0,0,0,0|2,0,0]=4 1076 B12R1.121 OCc1nccnc1SCCF 62a_100000057004_100011217306 [1,1,0,0,0,0|1,1,0]=4 1077 B12R1.121 OCc1nccnc1SCCF 62a_100011217306_100000057004 [1,1,0,0,0,0|1,1,0]=4 1078 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_100012814765_200025704644 [1,1,0,0,0,0|2,0,0]=4 1079 B12R1.121 [13CH3]Sc1ncccc1OCCF 62a_200025704644_100012814765 [1,1,0,0,0,0|2,0,0]=4 1080 B12R1.121 [13CH3]Sc1nccnc1NCCO 62a_200011219046_200025704644 [1,1,0,0,0,0|2,0,0]=4 1081 B12R1.121 [13CH3]Sc1nccnc1NCCO 62a_200025704644_200011219046 [1,1,0,0,0,0|2,0,0]=4 1082 B12R1.169 C=C=Cc1nccnc1OCC 271570a_100015277604_200010128176 [1,1,0,0,0,0|0,0,2]=4 1083 B12R1.169 CC=Cc1cccnc1OCC 271570a_100016259895_100011465154 [1,1,0,0,0,0|1,0,1]=4 1084 B12R1.169 CC=Cc1ncccc1OCC 271570a_100016259895_100011597540 [1,1,0,0,0,0|1,0,1]=4 1085 B12R1.169 CC=Cc1nccnc1OCC 271570a_100016259895_200010128176 [1,1,0,0,0,0|0,0,1]=3 1086 B12R1.169 CCCc1ccccc1OCC 34a_100011217252_100000210202 [1,1,0,0,0,0|2,0,0]=4 1087 B12R1.169 CCCc1ccccc1OCC 7a_100011217252_100000210202 [1,1,0,0,0,0|2,0,0]=4 1088 B12R1.169 CCNc1ccccc1OCC 34a_100000211218_100000210202 [1,1,0,0,0,0|2,0,0]=4 1089 B12R1.169 CCNc1ccccc1OCC 34a_103624766699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1090 B12R1.169 CCNc1ccccc1OCC 7a_103624766699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1091 B12R1.169 CCNc1nccnc1OCC 27a_100015525214_200010128176 [1,1,0,0,0,0|0,0,0]=2 1092 B12R1.169 CCOc1ccccc1CCBr 34a_100000722297_100000210202 [1,1,0,0,0,0|2,0,0]=4 1093 B12R1.169 CCOc1ccccc1CCBr 7a_100000722297_100000210202 [1,1,0,0,0,0|2,0,0]=4 1094 B12R1.169 CCOc1ccccc1CCN 34a_100011207237_100000210202 [1,1,0,0,0,0|2,0,0]=4 1095 B12R1.169 CCOc1ccccc1CCO 34a_100000719421_100000210202 [1,1,0,0,0,0|2,0,0]=4 1096 B12R1.169 CCOc1ccccc1CCO 7a_100000719421_100000210202 [1,1,0,0,0,0|2,0,0]=4 1097 B12R1.169 CCOc1ccccc1CNC 207a_100102657272_100000169843 [1,1,0,0,0,0|2,0,0]=4 1098 B12R1.169 CCOc1ccccc1CNC 270004a_106832991635_100000169843 [1,1,0,0,0,0|2,0,0]=4 1099 B12R1.169 CCOc1ccccc1CNC 34a_100015189988_100000210202 [1,1,0,0,0,0|2,0,0]=4 1100 B12R1.169 CCOc1ccccc1COC 34a_100000708577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1101 B12R1.169 CCOc1ccccc1COC 34a_100011488565_100000210202 [1,1,0,0,0,0|2,0,0]=4 1102 B12R1.169 CCOc1ccccc1COC 7a_100000708577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1103 B12R1.169 CCOc1ccccc1COC 7a_100011488565_100000210202 [1,1,0,0,0,0|2,0,0]=4 1104 B12R1.169 CCOc1ccccc1CO[13CH3] 34a_100000708577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1105 B12R1.169 CCOc1ccccc1CO[13CH3] 7a_100000708577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1106 B12R1.169 CCOc1ccccc1OCC 34a_100000211404_100000210202 [1,1,0,0,0,0|2,0,0]=4 1107 B12R1.169 CCOc1ccccc1OCC 7a_100000211404_100000210202 [1,1,0,0,0,0|2,0,0]=4 1108 B12R1.169 CCOc1ccccc1SCC 62a_100000210202_100000230754 [1,1,0,0,0,0|2,0,0]=4 1109 B12R1.169 CCOc1ccccc1SCC 62a_100000230754_100000210202 [1,1,0,0,0,0|2,0,0]=4 1110 B12R1.169 CCOc1cccnc1CNC 207a_100102657272_100009876934 [1,1,0,0,0,0|1,0,0]=3 1111 B12R1.169 CCOc1cccnc1CNC 270004a_106832991635_100009876934 [1,1,0,0,0,0|1,0,0]=3 1112 B12R1.169 CCOc1cccnc1OCC 34a_100011998697_100000210202 [1,1,0,0,0,0|1,0,0]=3 1113 B12R1.169 CCOc1cccnc1SCC 62a_100000210202_100011597540 [1,1,0,0,0,0|1,0,0]=3 1114 B12R1.169 CCOc1cccnc1SCC 62a_100011597540_100000210202 [1,1,0,0,0,0|1,0,0]=3 1115 B12R1.169 CCOc1cccnc1SCF 62a_100011597540_100015361967 [1,1,0,0,0,0|2,0,0]=4 1116 B12R1.169 CCOc1cccnc1SCF 62a_100015361967_100011597540 [1,1,0,0,0,0|2,0,0]=4 1117 B12R1.169 CCOc1ncccc1CNC 207a_100102657272_100011290805 [1,1,0,0,0,0|1,0,0]=3 1118 B12R1.169 CCOc1ncccc1CNC 270004a_106832991635_100011290805 [1,1,0,0,0,0|1,0,0]=3 1119 B12R1.169 CCOc1ncccc1OCF 34a_100011998697_100015361967 [1,1,0,0,0,0|2,0,0]=4 1120 B12R1.169 CCOc1ncccc1SCC 62a_100000210202_100011465154 [1,1,0,0,0,0|1,0,0]=3 1121 B12R1.169 CCOc1ncccc1SCC 62a_100011465154_100000210202 [1,1,0,0,0,0|1,0,0]=3 1122 B12R1.169 CCOc1ncccc1SCF 62a_100011465154_100015361967 [1,1,0,0,0,0|2,0,0]=4 1123 B12R1.169 CCOc1ncccc1SCF 62a_100015361967_100011465154 [1,1,0,0,0,0|2,0,0]=4 1124 B12R1.169 CCOc1nccnc1SCC 62a_100000210202_200010128176 [1,1,0,0,0,0|0,0,0]=2 1125 B12R1.169 CCOc1nccnc1SCC 62a_200010128176_100000210202 [1,1,0,0,0,0|0,0,0]=2 1126 B12R1.169 CCOc1nccnc1SCF 62a_100015361967_200010128176 [1,1,0,0,0,0|1,0,0]=3 1127 B12R1.169 CCOc1nccnc1SCF 62a_200010128176_100015361967 [1,1,0,0,0,0|1,0,0]=3 1128 B12R1.169 CCSc1ncccc1CNC 62a_100000210202_103496529121 [1,1,0,0,0,0|1,1,0]=4 1129 B12R1.169 CCSc1ncccc1CNC 62a_103496529121_100000210202 [1,1,0,0,0,0|1,1,0]=4 1130 B12R1.268 CCOc1cc(cnc1OC)Br 34a_100010135713_100000210202 [1,1,0,0,0,0|2,0,0]=4 1131 B12R1.268 CCSc1cc(cnc1CC)N 62a_100000210202_100013085292 [1,1,0,0,0,0|1,1,0]=4 1132 B12R1.268 CCSc1cc(cnc1CC)N 62a_100013085292_100000210202 [1,1,0,0,0,0|1,1,0]=4 1133 B12R1.1112 CCOc1c(cccc1CC)Br 34a_200010001580_100000210202 [1,1,0,0,0,0|2,0,0]=4 1134 B12R1.1112 CCOc1c(cccc1CC)Br 7a_200010001580_100000210202 [1,1,0,0,0,0|2,0,0]=4 1135 B12R1.1112 CCOc1c(cccc1CC)C 34a_100000034007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1136 B12R1.1112 CCOc1c(cccc1CC)C 7a_100000034007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1137 B12R1.1112 CCOc1c(occc1=O)CC 34a_100000033269_100000210202 [1,1,0,0,0,0|2,0,0]=4 1138 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [1,1,0,0,0,0|2,0,0]=4 1139 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [1,1,0,0,0,0|2,0,0]=4 1140 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [1,1,0,0,0,0|2,0,0]=4 1141 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [1,1,0,0,0,0|2,0,0]=4 1142 B12R1.57 C=C(C)c1ncc(nc1OC)Br 271570a_100000694244_100010214903 [1,1,0,0,0,0|0,0,2]=4 1143 B12R1.57 C=C(C)c1ncc(nc1OC)N 271570a_100000694244_100010128448 [1,1,0,0,0,0|0,0,2]=4 1144 B12R1.57 C=Cc1nc(cnc1C(C)C)C 271570a_100011290941_100015629263 [1,1,0,0,0,0|0,0,2]=4 1145 B12R1.57 CNc1nc(cnc1C(C)C)C 27a_100102657272_100015629263 [1,1,0,0,0,0|1,0,0]=3 1146 B12R1.57 COc1cc(ccc1C(C)C)C 34a_100000185798_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B12R1.57 COc1cc(ccc1C(C)C)C 7a_100000185798_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_100015629263_200000210301 [1,1,0,0,0,0|0,1,0]=3 1149 B12R1.57 CSc1nc(cnc1C(C)C)C 62a_200000210301_100015629263 [1,1,0,0,0,0|0,1,0]=3 1150 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 34a_100000185798_200025704644 [1,1,0,0,0,0|2,0,0]=4 1151 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 7a_100000185798_200025704644 [1,1,0,0,0,0|2,0,0]=4 1152 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_100015629263_200025704644 [1,1,0,0,0,0|0,1,0]=3 1153 B12R1.57 Cc1cnc(c(n1)S[13CH3])C(C)C 62a_200025704644_100015629263 [1,1,0,0,0,0|0,1,0]=3 1154 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 34a_100000211619_200025704644 [1,1,0,0,0,0|2,0,0]=4 1155 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 7a_100000211619_200025704644 [1,1,0,0,0,0|2,0,0]=4 1156 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_100010080783_200025704644 [1,1,0,0,0,0|1,1,0]=4 1157 B12R1.76 CC(C)(O)c1cccnc1S[13CH3] 62a_200025704644_100010080783 [1,1,0,0,0,0|1,1,0]=4 1158 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200010080787_200025704644 [1,1,0,0,0,0|1,1,0]=4 1159 B12R1.76 CC(C)(O)c1ncccc1S[13CH3] 62a_200025704644_200010080787 [1,1,0,0,0,0|1,1,0]=4 1160 B12R1.76 COc1ccccc1C(C)(C)C 34a_100000211619_200000210301 [1,1,0,0,0,0|2,0,0]=4 1161 B12R1.76 COc1ccccc1C(C)(C)C 7a_100000211619_200000210301 [1,1,0,0,0,0|2,0,0]=4 1162 B12R1.76 COc1nccnc1C(F)(F)F 34a_200009888604_200000210301 [1,1,0,0,0,0|2,0,0]=4 1163 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200000210301_200010080787 [1,1,0,0,0,0|1,1,0]=4 1164 B12R1.76 CSc1cccnc1C(C)(C)O 62a_200010080787_200000210301 [1,1,0,0,0,0|1,1,0]=4 1165 B12R1.76 CSc1ncccc1C(C)(C)O 62a_100010080783_200000210301 [1,1,0,0,0,0|1,1,0]=4 1166 B12R1.76 CSc1ncccc1C(C)(C)O 62a_200000210301_100010080783 [1,1,0,0,0,0|1,1,0]=4 1167 B12R1.76 [13CH3]Oc1nccnc1C(F)(F)F 34a_200009888604_200025704644 [1,1,0,0,0,0|2,0,0]=4 1168 B12R1.261 C=C(C)c1ncccc1C(C)C 271570a_100000694244_200010382935 [1,1,0,0,0,0|1,0,1]=4 1169 B12R1.261 C=C(C)c1nccnc1N(C)C 271570a_100000694244_100000703087 [1,1,0,0,0,0|1,0,1]=4 1170 B12R1.261 CC(=O)c1nccnc1N(C)C 27a_100102631434_100000099859 [1,1,0,0,0,0|1,0,1]=4 1171 B12R1.261 CN(C)c1nccnc1N(C)C 27a_100102631434_100000703087 [1,1,0,0,0,0|2,0,0]=4 1172 B12R1.276 CCSc1sc(nc1C(C)C)N 62a_100000210202_100010209577 [0,1,0,0,1,0|1,1,0]=4 1173 B12R1.276 CCSc1sc(nc1C(C)C)N 62a_100010209577_100000210202 [0,1,0,0,1,0|1,1,0]=4 1174 B12R1.290 CCSc1c[nH]nc1C(C)(C)C 62a_100000210202_100011471561 [0,1,0,0,1,0|1,1,0]=4 1175 B12R1.290 CCSc1c[nH]nc1C(C)(C)C 62a_100011471561_100000210202 [0,1,0,0,1,0|1,1,0]=4 1176 B12R1.291 CCCn1ncnc1C(C)NC 2230a_100012002203_200000210301 [0,1,0,0,1,0|2,0,0]=4 1177 B12R1.291 CCCn1ncnc1C(C)N[13CH3] 2230a_100012002203_200025704644 [0,1,0,0,1,0|2,0,0]=4 1178 B12R1.386 CC(C)c1ocnc1COCF 34a_100012017402_100015361967 [0,1,0,0,1,0|2,0,0]=4 1179 B12R1.386 CC(C)c1ocnc1COCF 7a_100012017402_100015361967 [0,1,0,0,1,0|2,0,0]=4 1180 B12R1.386 CC(C)n1ccnc1COCF 34a_100015206047_100015361967 [0,1,0,0,1,0|2,0,0]=4 1181 B12R1.386 CC(C)n1ccnc1COCF 7a_100015206047_100015361967 [0,1,0,0,1,0|2,0,0]=4 1182 B12R1.386 CC(C)n1ccnc1SCCF 62a_100009820211_100011217306 [0,1,0,0,1,0|1,1,0]=4 1183 B12R1.386 CC(C)n1ccnc1SCCF 62a_100011217306_100009820211 [0,1,0,0,1,0|1,1,0]=4 1184 B12R1.386 CC(C)n1ccnc1SCCO 62a_100000211926_100009820211 [0,1,0,0,1,0|1,1,0]=4 1185 B12R1.386 CC(C)n1ccnc1SCCO 62a_100009820211_100000211926 [0,1,0,0,1,0|1,1,0]=4 1186 B12R1.386 CC(C)n1nccc1COCF 34a_100012179370_100015361967 [0,1,0,0,1,0|2,0,0]=4 1187 B12R1.386 CC(C)n1nccc1COCF 7a_100012179370_100015361967 [0,1,0,0,1,0|2,0,0]=4 1188 B12R1.386 CC(C)n1nccc1NCCO 27a_100000210304_100010264481 [0,1,0,0,1,0|2,0,0]=4 1189 B12R1.386 CC(C)n1nccc1SCCF 62a_100010264481_100011217306 [0,1,0,0,1,0|1,1,0]=4 1190 B12R1.386 CC(C)n1nccc1SCCF 62a_100011217306_100010264481 [0,1,0,0,1,0|1,1,0]=4 1191 B12R1.386 CC(C)n1nccc1SCCO 62a_100000211926_100010264481 [0,1,0,0,1,0|1,1,0]=4 1192 B12R1.386 CC(C)n1nccc1SCCO 62a_100010264481_100000211926 [0,1,0,0,1,0|1,1,0]=4 1193 B12R1.386 CC(C)n1ncnc1NCCO 27a_100000210304_100009989917 [0,1,0,0,1,0|2,0,0]=4 1194 B12R1.386 CC(C)n1ncnc1SCCF 62a_100009989917_100011217306 [0,1,0,0,1,0|1,1,0]=4 1195 B12R1.386 CC(C)n1ncnc1SCCF 62a_100011217306_100009989917 [0,1,0,0,1,0|1,1,0]=4 1196 B12R1.386 CC(C)n1ncnc1SCCO 62a_100000211926_100009989917 [0,1,0,0,1,0|1,1,0]=4 1197 B12R1.386 CC(C)n1ncnc1SCCO 62a_100009989917_100000211926 [0,1,0,0,1,0|1,1,0]=4 1198 B12R1.386 CCCCc1ccnn1C(C)C 271570a_100020621405_100010264481 [0,1,0,0,1,0|2,0,0]=4 1199 B12R1.386 CCCCc1nccn1C(C)C 271570a_100020621405_100009820211 [0,1,0,0,1,0|2,0,0]=4 1200 B12R1.386 CCCCc1ncnn1C(C)C 271570a_100020621405_100009989917 [0,1,0,0,1,0|2,0,0]=4 1201 B12R1.386 CCCSc1ccnn1C(C)C 62a_100000210303_100010264481 [0,1,0,0,1,0|1,1,0]=4 1202 B12R1.386 CCCSc1ccnn1C(C)C 62a_100010264481_100000210303 [0,1,0,0,1,0|1,1,0]=4 1203 B12R1.386 CCCSc1nccn1C(C)C 62a_100000210303_100009820211 [0,1,0,0,1,0|1,1,0]=4 1204 B12R1.386 CCCSc1nccn1C(C)C 62a_100009820211_100000210303 [0,1,0,0,1,0|1,1,0]=4 1205 B12R1.386 CCCSc1ncnn1C(C)C 62a_100000210303_100009989917 [0,1,0,0,1,0|1,1,0]=4 1206 B12R1.386 CCCSc1ncnn1C(C)C 62a_100009989917_100000210303 [0,1,0,0,1,0|1,1,0]=4 1207 B12R1.386 CCNCc1ccnn1C(C)C 207a_100015525214_100000708477 [0,1,0,0,1,0|2,0,0]=4 1208 B12R1.386 CCNCc1ccnn1C(C)C 270004a_100015525214_100000708477 [0,1,0,0,1,0|2,0,0]=4 1209 B12R1.386 CCNCc1nccn1C(C)C 2230a_100015183361_100000210202 [0,1,0,0,1,0|2,0,0]=4 1210 B12R1.386 CCNCc1nccn1C(C)C 2230a_100015525214_100000765451 [0,1,0,0,1,0|2,0,0]=4 1211 B12R1.386 CCOCc1ccnn1C(C)C 34a_100012179370_100000210202 [0,1,0,0,1,0|1,0,0]=3 1212 B12R1.386 CCOCc1ccnn1C(C)C 7a_100012179370_100000210202 [0,1,0,0,1,0|1,0,0]=3 1213 B12R1.386 CCOCc1nccn1C(C)C 34a_100015206047_100000210202 [0,1,0,0,1,0|1,0,0]=3 1214 B12R1.386 CCOCc1nccn1C(C)C 34a_100121572206_100000765451 [0,1,0,0,1,0|1,0,0]=3 1215 B12R1.386 CCOCc1nccn1C(C)C 7a_100015206047_100000210202 [0,1,0,0,1,0|1,0,0]=3 1216 B12R1.386 CCOCc1ncoc1C(C)C 34a_100012017402_100000210202 [0,1,0,0,1,0|1,0,0]=3 1217 B12R1.386 CCOCc1ncoc1C(C)C 7a_100012017402_100000210202 [0,1,0,0,1,0|1,0,0]=3 1218 B12R1.386 CCSCc1nccn1C(C)C 62a_100000210202_100000765451 [0,1,0,0,1,0|1,1,0]=4 1219 B12R1.386 CCSCc1nccn1C(C)C 62a_100000765451_100000210202 [0,1,0,0,1,0|1,1,0]=4 1220 B12R1.386 COCSc1ccnn1C(C)C 62a_100000766300_100010264481 [0,1,0,0,1,0|1,1,0]=4 1221 B12R1.386 COCSc1ccnn1C(C)C 62a_100010264481_100000766300 [0,1,0,0,1,0|1,1,0]=4 1222 B12R1.386 COCSc1nccn1C(C)C 62a_100000766300_100009820211 [0,1,0,0,1,0|1,1,0]=4 1223 B12R1.386 COCSc1nccn1C(C)C 62a_100009820211_100000766300 [0,1,0,0,1,0|1,1,0]=4 1224 B12R1.386 COCSc1ncnn1C(C)C 62a_100000766300_100009989917 [0,1,0,0,1,0|1,1,0]=4 1225 B12R1.386 COCSc1ncnn1C(C)C 62a_100009989917_100000766300 [0,1,0,0,1,0|1,1,0]=4 1226 B12R1.386 CSCSc1ccnn1C(C)C 62a_100010264481_100011218213 [0,1,0,0,1,0|1,1,0]=4 1227 B12R1.386 CSCSc1ccnn1C(C)C 62a_100011218213_100010264481 [0,1,0,0,1,0|1,1,0]=4 1228 B12R1.386 CSCSc1nccn1C(C)C 62a_100009820211_100011218213 [0,1,0,0,1,0|1,1,0]=4 1229 B12R1.386 CSCSc1nccn1C(C)C 62a_100011218213_100009820211 [0,1,0,0,1,0|1,1,0]=4 1230 B12R1.386 CSCSc1ncnn1C(C)C 62a_100009989917_100011218213 [0,1,0,0,1,0|1,1,0]=4 1231 B12R1.386 CSCSc1ncnn1C(C)C 62a_100011218213_100009989917 [0,1,0,0,1,0|1,1,0]=4 1232 B12R1.392 CC(C)Nc1ccnn1C(C)C 27a_100138425928_100010264481 [0,1,0,0,1,0|2,0,0]=4 1233 B12R1.392 CC(C)Nc1ncnn1C(C)C 27a_100138425928_100009989917 [0,1,0,0,1,0|2,0,0]=4 1234 B12R1.392 CC(C)Sc1ccnn1C(C)C 62a_100000210206_100010264481 [0,1,0,0,1,0|1,1,0]=4 1235 B12R1.392 CC(C)Sc1ccnn1C(C)C 62a_100010264481_100000210206 [0,1,0,0,1,0|1,1,0]=4 1236 B12R1.392 CC(C)Sc1nccn1C(C)C 62a_100000210206_100009820211 [0,1,0,0,1,0|1,1,0]=4 1237 B12R1.392 CC(C)Sc1nccn1C(C)C 62a_100009820211_100000210206 [0,1,0,0,1,0|1,1,0]=4 1238 B12R1.392 CC(C)Sc1ncnn1C(C)C 62a_100000210206_100009989917 [0,1,0,0,1,0|1,1,0]=4 1239 B12R1.392 CC(C)Sc1ncnn1C(C)C 62a_100009989917_100000210206 [0,1,0,0,1,0|1,1,0]=4 1240 B14R1.262 CCOc1ccccc1NC(C)(C)C 34a_100000211218_100000210625 [0,1,0,0,0,1|2,0,0]=4 1241 B14R1.262 CCOc1ccccc1OC(C)(C)C 34a_100000211404_100000210625 [0,1,0,0,0,1|2,0,0]=4 1242 B14R1.262 CCOc1ccccc1SC(C)(C)C 62a_100000211941_100000230754 [0,1,0,0,0,1|2,0,0]=4 1243 B14R1.262 CCOc1ccccc1SC(C)(C)C 62a_100000230754_100000211941 [0,1,0,0,0,1|2,0,0]=4 1244 B14R1.262 CCOc1cccnc1SC(C)(C)C 62a_100000211941_100011597540 [0,1,0,0,0,1|1,0,0]=3 1245 B14R1.262 CCOc1cccnc1SC(C)(C)C 62a_100011597540_100000211941 [0,1,0,0,0,1|1,0,0]=3 1246 B14R1.262 CCOc1ncccc1OC(C)(C)C 34a_100011998697_100000210625 [0,1,0,0,0,1|1,0,0]=3 1247 B14R1.262 CCOc1ncccc1SC(C)(C)C 62a_100000211941_100011465154 [0,1,0,0,0,1|1,0,0]=3 1248 B14R1.262 CCOc1ncccc1SC(C)(C)C 62a_100011465154_100000211941 [0,1,0,0,0,1|1,0,0]=3 1249 B14R1.262 CCOc1nccnc1SC(C)(C)C 62a_100000211941_200010128176 [0,1,0,0,0,1|0,0,0]=2 1250 B14R1.262 CCOc1nccnc1SC(C)(C)C 62a_200010128176_100000211941 [0,1,0,0,0,1|0,0,0]=2 1251 B14R1.262 CCOc1nccnc1SC(F)(F)F 62a_200000243211_200010128176 [0,1,0,0,0,1|2,0,0]=4 1252 B14R1.262 CCOc1nccnc1SC(F)(F)F 62a_200010128176_200103152311 [0,1,0,0,0,1|2,0,0]=4 1253 B14R1.262 CCSc1cccnc1OC(C)(C)C 62a_100000210202_100011465193 [0,1,0,0,0,1|1,1,0]=4 1254 B14R1.262 CCSc1cccnc1OC(C)(C)C 62a_100011465193_100000210202 [0,1,0,0,0,1|1,1,0]=4 1255 B14R1.438 CCOc1cc(ccc1NC(C)C)Br 2230a_100000688918_100000210206 [0,1,0,0,0,1|2,0,0]=4 1256 B14R1.438 CCOc1cc(ccc1NC(C)C)Br 34a_100000688918_100000210206 [0,1,0,0,0,1|2,0,0]=4 1257 B14R1.438 CCOc1cc(ccc1NC(C)C)C 2230a_100000742043_100000210206 [0,1,0,0,0,1|2,0,0]=4 1258 B14R1.438 CCOc1cc(ccc1NC(C)C)C 34a_100000742043_100000210206 [0,1,0,0,0,1|2,0,0]=4 1259 B14R1.438 CCOc1cc(ccc1NC(C)C)Cl 34a_100000687649_100000210206 [0,1,0,0,0,1|2,0,0]=4 1260 B14R1.438 CCOc1cc(ccc1NC(C)C)F 2230a_100000741351_100000210206 [0,1,0,0,0,1|2,0,0]=4 1261 B14R1.438 CCOc1cc(ccc1NC(C)C)F 34a_100000741351_100000210206 [0,1,0,0,0,1|2,0,0]=4 1262 B14R1.438 CCOc1cc(ccc1OC(C)C)C 34a_200000034294_100000210206 [0,1,0,0,0,1|2,0,0]=4 1263 B14R1.438 CCOc1cc(ccc1OC(C)C)C 7a_200000034294_100000210206 [0,1,0,0,0,1|2,0,0]=4 1264 B14R1.438 CCOc1cc(ccc1SC(C)C)C 62a_100000210206_200010713166 [0,1,0,0,0,1|2,0,0]=4 1265 B14R1.438 CCOc1cc(ccc1SC(C)C)C 62a_200010713166_100000210206 [0,1,0,0,0,1|2,0,0]=4 1266 B14R1.438 CCOc1cc(ccc1SC(C)C)F 62a_100000210206_200012340411 [0,1,0,0,0,1|2,0,0]=4 1267 B14R1.438 CCOc1cc(ccc1SC(C)C)F 62a_200012340411_100000210206 [0,1,0,0,0,1|2,0,0]=4 1268 B14R1.438 CCOc1cc(ccc1SC(C)C)N 62a_100000210206_200016990551 [0,1,0,0,0,1|2,0,0]=4 1269 B14R1.438 CCOc1cc(ccc1SC(C)C)N 62a_200016990551_100000210206 [0,1,0,0,0,1|2,0,0]=4 1270 B14R1.438 CCSc1cc(cnc1OC(C)C)Br 62a_100000210202_200010177600 [0,1,0,0,0,1|1,1,0]=4 1271 B14R1.438 CCSc1cc(cnc1OC(C)C)Br 62a_200010177600_100000210202 [0,1,0,0,0,1|1,1,0]=4 1272 B14R1.438 CCSc1cc(cnc1OC(C)C)C 62a_100000210202_200012348018 [0,1,0,0,0,1|1,1,0]=4 1273 B14R1.438 CCSc1cc(cnc1OC(C)C)C 62a_200012348018_100000210202 [0,1,0,0,0,1|1,1,0]=4 1274 B14R1.481 CCOc1ccccc1C(=O)C(C)C 1458a_100000211144_100000210206 [0,1,0,0,0,1|2,0,0]=4 1275 B14R1.481 CCOc1cccnc1C(=C(C)C)C 271570a_200000049429_100011597540 [0,1,0,0,0,1|1,0,1]=4 1276 B14R1.481 CCOc1cccnc1C(=O)N(C)C 34a_200011376111_100000210202 [0,1,0,0,0,1|2,0,0]=4 1277 B14R1.481 CCOc1cccnc1C(=O)N(C)C 7a_200011376111_100000210202 [0,1,0,0,0,1|2,0,0]=4 1278 B14R1.481 CCOc1ncccc1C(=C(C)C)C 271570a_200000049429_100011465154 [0,1,0,0,0,1|1,0,1]=4 1279 B14R1.481 CCOc1nccnc1C(=C(C)C)C 271570a_200000049429_200010128176 [0,1,0,0,0,1|0,0,1]=3 1280 B14R1.481 CCOc1nccnc1N(C)C(C)C 27a_200000211004_200010128176 [0,1,0,0,0,1|0,0,0]=2 1281 B14R1.483 C#CC(C)Nc1nccnc1OCC 27a_100000707721_200010128176 [0,1,0,0,0,1|0,0,1]=3 1282 B14R1.483 C#CC(C)Oc1cccnc1OCC 34a_100011998697_200000035995 [0,1,0,0,0,1|1,0,1]=4 1283 B14R1.483 C#CC(C)Sc1cccnc1OCC 62a_200000035995_100011465154 [0,1,0,0,0,1|1,0,1]=4 1284 B14R1.483 C#CC(C)Sc1ncccc1OCC 62a_200000035995_100011597540 [0,1,0,0,0,1|1,0,1]=4 1285 B14R1.483 C#CC(C)Sc1nccnc1OCC 62a_200000035995_200010128176 [0,1,0,0,0,1|0,0,1]=3 1286 B14R1.483 C=CC(C)Sc1cccnc1OCC 62a_100011215867_100011465154 [0,1,0,0,0,1|1,0,1]=4 1287 B14R1.483 C=CC(C)Sc1ncccc1OCC 62a_100011215867_100011597540 [0,1,0,0,0,1|1,0,1]=4 1288 B14R1.483 C=CC(C)Sc1nccnc1OCC 62a_100011215867_200010128176 [0,1,0,0,0,1|0,0,1]=3 1289 B14R1.483 CCOc1ccccc1CC(C)NC 270004a_106832991635_200000075427 [0,1,0,0,0,1|2,0,0]=4 1290 B14R1.483 CCOc1ccccc1NC(C)CC 34a_100000211218_100011215416 [0,1,0,0,0,1|2,0,0]=4 1291 B14R1.483 CCOc1ccccc1NC(C)CO 34a_100000211218_100012180447 [0,1,0,0,0,1|2,0,0]=4 1292 B14R1.483 CCOc1ccccc1OC(C)CC 34a_100000211404_100011215416 [0,1,0,0,0,1|2,0,0]=4 1293 B14R1.483 CCOc1ccccc1OC(C)CC 7a_100000211404_100000758301 [0,1,0,0,0,1|2,0,0]=4 1294 B14R1.483 CCOc1ccccc1OC(C)CO 34a_100000211404_100012180447 [0,1,0,0,0,1|2,0,0]=4 1295 B14R1.483 CCOc1ccccc1OC(C)CO 7a_100000211404_100012180447 [0,1,0,0,0,1|2,0,0]=4 1296 B14R1.483 CCOc1ccccc1SC(C)CC 62a_100000230754_100000758301 [0,1,0,0,0,1|2,0,0]=4 1297 B14R1.483 CCOc1ccccc1SC(C)CC 62a_100000758301_100000230754 [0,1,0,0,0,1|2,0,0]=4 1298 B14R1.483 CCOc1ccccc1SC(C)CO 62a_100012180447_100000230754 [0,1,0,0,0,1|2,0,0]=4 1299 B14R1.483 CCOc1ccccc1SC(C)OC 62a_100000230754_100009879195 [0,1,0,0,0,1|2,0,0]=4 1300 B14R1.483 CCOc1ccccc1SC(C)OC 62a_100009879195_100000230754 [0,1,0,0,0,1|2,0,0]=4 1301 B14R1.483 CCOc1ccccc1S[C@H](C)CO 62a_100000230754_100016084084 [0,1,0,0,0,1|2,0,0]=4 1302 B14R1.483 CCOc1ccccc1S[C@H](C)CO 62a_100016084084_100000230754 [0,1,0,0,0,1|2,0,0]=4 1303 B14R1.483 CCOc1cccnc1SC(C)C#N 62a_100000703298_100011597540 [0,1,0,0,0,1|1,0,1]=4 1304 B14R1.483 CCOc1cccnc1SC(C)C#N 62a_100011597540_100000703298 [0,1,0,0,0,1|1,0,1]=4 1305 B14R1.483 CCOc1cccnc1SC(C)CC 62a_100000758301_100011597540 [0,1,0,0,0,1|1,0,0]=3 1306 B14R1.483 CCOc1cccnc1SC(C)CC 62a_100011597540_100000758301 [0,1,0,0,0,1|1,0,0]=3 1307 B14R1.483 CCOc1cccnc1SC(C)CO 62a_100012180447_100011597540 [0,1,0,0,0,1|1,0,0]=3 1308 B14R1.483 CCOc1cccnc1SC(C)OC 62a_100009879195_100011597540 [0,1,0,0,0,1|1,0,0]=3 1309 B14R1.483 CCOc1cccnc1SC(C)OC 62a_100011597540_100009879195 [0,1,0,0,0,1|1,0,0]=3 1310 B14R1.483 CCOc1cccnc1S[C@H](C)CO 62a_100011597540_100016084084 [0,1,0,0,0,1|1,0,0]=3 1311 B14R1.483 CCOc1cccnc1S[C@H](C)CO 62a_100016084084_100011597540 [0,1,0,0,0,1|1,0,0]=3 1312 B14R1.483 CCOc1ncccc1OC(C)CC 34a_100011998697_100011215416 [0,1,0,0,0,1|1,0,0]=3 1313 B14R1.483 CCOc1ncccc1OC(C)CO 34a_100011998697_100012180447 [0,1,0,0,0,1|1,0,0]=3 1314 B14R1.483 CCOc1ncccc1SC(C)C#N 62a_100000703298_100011465154 [0,1,0,0,0,1|1,0,1]=4 1315 B14R1.483 CCOc1ncccc1SC(C)C#N 62a_100011465154_100000703298 [0,1,0,0,0,1|1,0,1]=4 1316 B14R1.483 CCOc1ncccc1SC(C)CC 62a_100000758301_100011465154 [0,1,0,0,0,1|1,0,0]=3 1317 B14R1.483 CCOc1ncccc1SC(C)CC 62a_100011465154_100000758301 [0,1,0,0,0,1|1,0,0]=3 1318 B14R1.483 CCOc1ncccc1SC(C)CO 62a_100012180447_100011465154 [0,1,0,0,0,1|1,0,0]=3 1319 B14R1.483 CCOc1ncccc1SC(C)OC 62a_100009879195_100011465154 [0,1,0,0,0,1|1,0,0]=3 1320 B14R1.483 CCOc1ncccc1SC(C)OC 62a_100011465154_100009879195 [0,1,0,0,0,1|1,0,0]=3 1321 B14R1.483 CCOc1ncccc1S[C@H](C)CO 62a_100011465154_100016084084 [0,1,0,0,0,1|1,0,0]=3 1322 B14R1.483 CCOc1ncccc1S[C@H](C)CO 62a_100016084084_100011465154 [0,1,0,0,0,1|1,0,0]=3 1323 B14R1.483 CCOc1nccnc1N[C@H](C)CF 27a_100102880703_200010128176 [0,1,0,0,0,1|0,0,0]=2 1324 B14R1.483 CCOc1nccnc1N[C@H](C)CO 27a_100000737577_200010128176 [0,1,0,0,0,1|0,0,0]=2 1325 B14R1.483 CCOc1nccnc1SC(C)C#N 62a_100000703298_200010128176 [0,1,0,0,0,1|0,0,1]=3 1326 B14R1.483 CCOc1nccnc1SC(C)C#N 62a_200010128176_100000703298 [0,1,0,0,0,1|0,0,1]=3 1327 B14R1.483 CCOc1nccnc1SC(C)CC 62a_100000758301_200010128176 [0,1,0,0,0,1|0,0,0]=2 1328 B14R1.483 CCOc1nccnc1SC(C)CC 62a_200010128176_100000758301 [0,1,0,0,0,1|0,0,0]=2 1329 B14R1.483 CCOc1nccnc1SC(C)CO 62a_100012180447_200010128176 [0,1,0,0,0,1|0,0,0]=2 1330 B14R1.483 CCOc1nccnc1SC(C)OC 62a_100009879195_200010128176 [0,1,0,0,0,1|0,0,0]=2 1331 B14R1.483 CCOc1nccnc1SC(C)OC 62a_200010128176_100009879195 [0,1,0,0,0,1|0,0,0]=2 1332 B14R1.483 CCOc1nccnc1SC(F)C#N 62a_200000117898_200010128176 [0,1,0,0,0,1|1,0,1]=4 1333 B14R1.483 CCOc1nccnc1SC(F)C#N 62a_200010128176_200000117898 [0,1,0,0,0,1|1,0,1]=4 1334 B14R1.483 CCOc1nccnc1S[C@H](C)CO 62a_100016084084_200010128176 [0,1,0,0,0,1|0,0,0]=2 1335 B14R1.483 CCOc1nccnc1S[C@H](C)CO 62a_200010128176_100016084084 [0,1,0,0,0,1|0,0,0]=2 1336 B14R1.744 COC(=O)c1nccnc1NC(C)C 27a_100138425928_100000079898 [0,1,0,0,0,1|2,0,0]=4 1337 B14R1.744 COC(=O)c1nccnc1SC(C)C 62a_100000210206_100000079898 [0,1,0,0,0,1|2,0,0]=4 1338 B14R1.744 COC(=O)c1nccnc1SC(C)C 62a_100000688410_100000210206 [0,1,0,0,0,1|2,0,0]=4 1339 B14R1.786 CC(=Cc1ncccc1OCCF)C 271570a_100102525489_100012814765 [0,1,0,0,0,1|1,0,1]=4 1340 B14R1.786 CC(=Cc1nccnc1NCCO)C 271570a_100102525489_200011219046 [0,1,0,0,0,1|1,0,1]=4 1341 B14R1.786 CC(C)Nc1ccccc1OCCF 34a_100012000959_100000210206 [0,1,0,0,0,1|2,0,0]=4 1342 B14R1.786 CC(C)Nc1ccccc1OCCO 34a_100132302172_100000210206 [0,1,0,0,0,1|2,0,0]=4 1343 B14R1.786 CC(C)Nc1ncccc1OCCF 27a_100138425928_100012814765 [0,1,0,0,0,1|1,0,0]=3 1344 B14R1.786 CC(C)Oc1ccccc1OCCF 34a_100011218612_100011217306 [0,1,0,0,0,1|2,0,0]=4 1345 B14R1.786 CC(C)Oc1ccccc1OCCF 7a_100011218612_100011217306 [0,1,0,0,0,1|2,0,0]=4 1346 B14R1.786 CC(C)Oc1ccccc1OCCO 34a_100000181789_100000210206 [0,1,0,0,0,1|2,0,0]=4 1347 B14R1.786 CC(C)Oc1ccccc1OCCO 34a_100011218612_100000211926 [0,1,0,0,0,1|2,0,0]=4 1348 B14R1.786 CC(C)Oc1ccccc1OCCO 7a_100000181789_100000210206 [0,1,0,0,0,1|2,0,0]=4 1349 B14R1.786 CC(C)Oc1ccccc1OCCO 7a_100011218612_100000211926 [0,1,0,0,0,1|2,0,0]=4 1350 B14R1.786 CC(C)Oc1ncccc1SCCF 62a_100011217306_200011465186 [0,1,0,0,0,1|1,1,0]=4 1351 B14R1.786 CC(C)Oc1ncccc1SCCF 62a_200011465186_100011217306 [0,1,0,0,0,1|1,1,0]=4 1352 B14R1.786 CC(C)Oc1ncccc1SCCO 62a_100000211926_200011465186 [0,1,0,0,0,1|1,1,0]=4 1353 B14R1.786 CC(C)Oc1ncccc1SCCO 62a_200011465186_100000211926 [0,1,0,0,0,1|1,1,0]=4 1354 B14R1.786 CC(C)Sc1ccccc1OCCN 62a_100000210206_100000744007 [0,1,0,0,0,1|2,0,0]=4 1355 B14R1.786 CC(C)Sc1ccccc1OCCN 62a_100000744007_100000210206 [0,1,0,0,0,1|2,0,0]=4 1356 B14R1.786 CC(C)Sc1ccccc1OCCO 62a_100000210206_100000230753 [0,1,0,0,0,1|2,0,0]=4 1357 B14R1.786 CC(C)Sc1ccccc1OCCO 62a_100000230753_100000210206 [0,1,0,0,0,1|2,0,0]=4 1358 B14R1.786 CC(C)Sc1cccnc1NCCO 62a_100000210206_200011464885 [0,1,0,0,0,1|2,0,0]=4 1359 B14R1.786 CC(C)Sc1cccnc1NCCO 62a_200011464885_100000210206 [0,1,0,0,0,1|2,0,0]=4 1360 B14R1.786 CC(C)Sc1ncccc1OCCF 62a_100000210206_100012814765 [0,1,0,0,0,1|1,0,0]=3 1361 B14R1.786 CC(C)Sc1ncccc1OCCF 62a_100012814765_100000210206 [0,1,0,0,0,1|1,0,0]=3 1362 B14R1.786 CC(C)Sc1nccnc1NCCO 62a_100000210206_200011219046 [0,1,0,0,0,1|1,0,0]=3 1363 B14R1.786 CC(C)Sc1nccnc1NCCO 62a_200011219046_100000210206 [0,1,0,0,0,1|1,0,0]=3 1364 B14R1.786 CCCCc1cccnc1OC(C)C 271570a_100020621405_200011465186 [0,1,0,0,0,1|2,0,0]=4 1365 B14R1.786 CCCOc1ccccc1NC(C)C 27a_100138425928_100000174042 [0,1,0,0,0,1|2,0,0]=4 1366 B14R1.786 CCCOc1ccccc1NC(C)C 34a_100000683936_100000210206 [0,1,0,0,0,1|2,0,0]=4 1367 B14R1.786 CCCOc1ccccc1OC(C)C 34a_100000180214_100000210206 [0,1,0,0,0,1|2,0,0]=4 1368 B14R1.786 CCCOc1ccccc1OC(C)C 34a_100011218612_100000210303 [0,1,0,0,0,1|2,0,0]=4 1369 B14R1.786 CCCOc1ccccc1OC(C)C 7a_100000180214_100000210206 [0,1,0,0,0,1|2,0,0]=4 1370 B14R1.786 CCCOc1ccccc1OC(C)C 7a_100011218612_100000210303 [0,1,0,0,0,1|2,0,0]=4 1371 B14R1.786 CCCOc1ccccc1SC(C)C 62a_100000174042_100000210206 [0,1,0,0,0,1|2,0,0]=4 1372 B14R1.786 CCCOc1ccccc1SC(C)C 62a_100000210206_100000174042 [0,1,0,0,0,1|2,0,0]=4 1373 B14R1.786 CCCOc1ncccc1C=C(C)C 271570a_100102525489_200011465209 [0,1,0,0,0,1|1,0,1]=4 1374 B14R1.786 CCCOc1ncccc1CN(C)C 270004a_100102631434_200011290810 [0,1,0,0,0,1|2,0,0]=4 1375 B14R1.786 CCCOc1ncccc1SC(C)C 62a_100000210206_200011465209 [0,1,0,0,0,1|1,0,0]=3 1376 B14R1.786 CCCOc1ncccc1SC(C)C 62a_200011465209_100000210206 [0,1,0,0,0,1|1,0,0]=3 1377 B14R1.786 CCCSc1cccnc1OC(C)C 62a_100000210303_200011465186 [0,1,0,0,0,1|1,1,0]=4 1378 B14R1.786 CCCSc1cccnc1OC(C)C 62a_200011465186_100000210303 [0,1,0,0,0,1|1,1,0]=4 1379 B14R1.786 CCNCc1cccnc1OC(C)C 207a_100015525214_100011290806 [0,1,0,0,0,1|2,0,0]=4 1380 B14R1.786 CCNCc1cccnc1OC(C)C 2230a_100000740383_100000210202 [0,1,0,0,0,1|2,0,0]=4 1381 B14R1.786 CCNCc1cccnc1OC(C)C 270004a_100015525214_100011290806 [0,1,0,0,0,1|2,0,0]=4 1382 B14R1.786 CCOCc1ccccc1OC(C)C 34a_100000708705_100000210202 [0,1,0,0,0,1|2,0,0]=4 1383 B14R1.786 CCOCc1ccccc1OC(C)C 7a_100000708705_100000210202 [0,1,0,0,0,1|2,0,0]=4 1384 B14R1.786 CCOCc1ccccc1SC(C)C 62a_100000210206_200011493690 [0,1,0,0,0,1|2,0,0]=4 1385 B14R1.786 CCOCc1ccccc1SC(C)C 62a_200011493690_100000210206 [0,1,0,0,0,1|2,0,0]=4 1386 B14R1.786 COCOc1ccccc1SC(C)C 62a_100000210206_200000230759 [0,1,0,0,0,1|2,0,0]=4 1387 B14R1.786 COCOc1ccccc1SC(C)C 62a_200000230759_100000210206 [0,1,0,0,0,1|2,0,0]=4 1388 B14R1.786 COCOc1cccnc1C=C(C)C 271570a_100102525489_100011935308 [0,1,0,0,0,1|1,0,1]=4 1389 B14R1.786 COCOc1cccnc1SC(C)C 62a_100000210206_100011935308 [0,1,0,0,0,1|1,0,0]=3 1390 B14R1.786 COCOc1cccnc1SC(C)C 62a_100011935308_100000210206 [0,1,0,0,0,1|1,0,0]=3 1391 B14R1.786 COCSc1cccnc1OC(C)C 62a_100000766300_200011465186 [0,1,0,0,0,1|1,1,0]=4 1392 B14R1.786 COCSc1cccnc1OC(C)C 62a_200011465186_100000766300 [0,1,0,0,0,1|1,1,0]=4 1393 B14R1.786 CSCOc1ccccc1OC(C)C 34a_100011218612_100011218213 [0,1,0,0,0,1|2,0,0]=4 1394 B14R1.786 CSCSc1cccnc1OC(C)C 62a_100011218213_200011465186 [0,1,0,0,0,1|1,1,0]=4 1395 B14R1.786 CSCSc1cccnc1OC(C)C 62a_200011465186_100011218213 [0,1,0,0,0,1|1,1,0]=4 1396 B14R1.814 CC(=Cc1cccnc1OC(C)C)C 271570a_100102525489_200011465186 [0,1,0,0,0,1|1,0,1]=4 1397 B14R1.814 CC(=O)Oc1cccnc1SC(C)C 62a_100000210206_200009815371 [0,1,0,0,0,1|1,0,1]=4 1398 B14R1.814 CC(=O)Oc1cccnc1SC(C)C 62a_200009815371_100000210206 [0,1,0,0,0,1|1,0,1]=4 1399 B14R1.814 CC(C)Nc1ccccc1OC(C)C 2230a_100000739276_100000210206 [0,1,0,0,0,1|2,0,0]=4 1400 B14R1.814 CC(C)Nc1ccccc1OC(C)C 34a_100000739276_100000210206 [0,1,0,0,0,1|2,0,0]=4 1401 B14R1.814 CC(C)Oc1ccccc1OC(C)C 34a_100011218612_100000210206 [0,1,0,0,0,1|2,0,0]=4 1402 B14R1.814 CC(C)Oc1ccccc1OC(C)C 7a_100011218612_100000210206 [0,1,0,0,0,1|2,0,0]=4 1403 B14R1.814 CC(C)Oc1ccccc1SC(C)C 62a_100000173919_100000210206 [0,1,0,0,0,1|2,0,0]=4 1404 B14R1.814 CC(C)Oc1ccccc1SC(C)C 62a_100000210206_100000173919 [0,1,0,0,0,1|2,0,0]=4 1405 B14R1.814 CC(C)Oc1ncccc1CN(C)C 270004a_100102631434_100011290806 [0,1,0,0,0,1|2,0,0]=4 1406 B14R1.814 CC(C)Oc1ncccc1SC(C)C 62a_100000210206_200011465186 [0,1,0,0,0,1|1,0,0]=3 1407 B14R1.814 CC(C)Oc1ncccc1SC(C)C 62a_200011465186_100000210206 [0,1,0,0,0,1|1,0,0]=3 1408 B14R1.814 CC(C)Sc1ncccc1OC(F)F 62a_100000210206_100000697348 [0,1,0,0,0,1|2,0,0]=4 1409 B14R1.814 CC(C)Sc1ncccc1OC(F)F 62a_100000697348_100000210206 [0,1,0,0,0,1|2,0,0]=4 1410 B14R1.5090 CCOc1c(cccc1NC(C)C)Cl 2230a_100000744310_100000210206 [0,1,0,0,0,1|2,0,0]=4 1411 B14R1.5090 CCOc1c(cccc1NC(C)C)Cl 34a_100000744310_100000210206 [0,1,0,0,0,1|2,0,0]=4 1412 B14R1.5090 CCOc1c(cccc1SC(C)C)F 62a_100000210206_100010232518 [0,1,0,0,0,1|2,0,0]=4 1413 B14R1.5090 CCOc1c(cccc1SC(C)C)F 62a_100010232518_100000210206 [0,1,0,0,0,1|2,0,0]=4 1414 B14R1.5098 CCOc1cccc(c1NC(C)C)Br 34a_200103155331_100000210206 [0,1,0,0,0,1|2,0,0]=4 1415 B14R1.5098 CCOc1cccc(c1NC(C)C)Cl 34a_100012284057_100000210206 [0,1,0,0,0,1|2,0,0]=4 1416 B14R1.6721 CCOc1ccc(cc1NC(C)C)Br 2230a_100000751366_100000210206 [0,1,0,0,0,1|2,0,0]=4 1417 B14R1.6721 CCOc1ccc(cc1NC(C)C)Br 34a_100000751366_100000210206 [0,1,0,0,0,1|2,0,0]=4 1418 B14R1.6721 CCOc1ccc(cc1NC(C)C)C 2230a_100011202655_100000210206 [0,1,0,0,0,1|2,0,0]=4 1419 B14R1.6721 CCOc1ccc(cc1NC(C)C)C 34a_100011202655_100000210206 [0,1,0,0,0,1|2,0,0]=4 1420 B14R1.6721 CCOc1ccc(cc1NC(C)C)Cl 2230a_100000742605_100000210206 [0,1,0,0,0,1|2,0,0]=4 1421 B14R1.6721 CCOc1ccc(cc1NC(C)C)Cl 34a_100000742605_100000210206 [0,1,0,0,0,1|2,0,0]=4 1422 B14R1.6721 CCOc1ccc(cc1SC(C)C)C 62a_100000210206_200000230997 [0,1,0,0,0,1|2,0,0]=4 1423 B14R1.6721 CCOc1ccc(cc1SC(C)C)C 62a_200000230997_100000210206 [0,1,0,0,0,1|2,0,0]=4 1424 B14R1.6721 CCOc1ccc(cc1SC(C)C)F 62a_100000171695_100000210206 [0,1,0,0,0,1|2,0,0]=4 1425 B14R1.6721 CCOc1ccc(cc1SC(C)C)F 62a_100000210206_100000171695 [0,1,0,0,0,1|2,0,0]=4 1426 B14R1.6721 CCOc1ncc(cc1C=C(C)C)Br 271570a_100102525489_200010177599 [0,1,0,0,0,1|1,0,1]=4 1427 B14R1.6721 CCOc1ncc(cc1SC(C)C)Br 62a_100000210206_200010177599 [0,1,0,0,0,1|1,0,0]=3 1428 B14R1.6721 CCOc1ncc(cc1SC(C)C)Br 62a_200010177599_100000210206 [0,1,0,0,0,1|1,0,0]=3 1429 B14R1.5292 CCOc1cc(cccc1=O)C(C)C 34a_100000031672_100000210202 [0,1,0,0,0,1|2,0,0]=4 1430 B14R1.5292 CCOc1cc(cccc1=O)C(C)C 7a_100000031672_100000210202 [0,1,0,0,0,1|2,0,0]=4 1431 B14R1.67 CC(C)c1cc(ccc1OCCF)Br 34a_100000691460_100011217306 [0,2,0,0,0,0|2,0,0]=4 1432 B14R1.67 CC(C)c1cc(ccc1OCCF)Br 7a_100000691460_100011217306 [0,2,0,0,0,0|2,0,0]=4 1433 B14R1.67 CC(C)c1cc(ccc1OCCO)Br 34a_100000691460_100000211926 [0,2,0,0,0,0|2,0,0]=4 1434 B14R1.67 CC(C)c1cc(ccc1OCCO)Br 7a_100000691460_100000211926 [0,2,0,0,0,0|2,0,0]=4 1435 B14R1.67 CCCOc1ccc(cc1C(C)C)Br 34a_100000691460_100000210303 [0,2,0,0,0,0|2,0,0]=4 1436 B14R1.67 CCCOc1ccc(cc1C(C)C)Br 7a_100000691460_100000210303 [0,2,0,0,0,0|2,0,0]=4 1437 B14R1.67 COCOc1ccc(cc1C(C)C)O 271570a_203496583355_200013003313 [0,2,0,0,0,0|2,0,0]=4 1438 B14R1.67 CSCOc1ccc(cc1C(C)C)Br 34a_100000691460_100011218213 [0,2,0,0,0,0|2,0,0]=4 1439 B14R1.5237 CCOc1ccc(cc1C(C)C)OC 34a_100011998526_100000210202 [0,2,0,0,0,0|2,0,0]=4 1440 B14R1.5237 CCOc1ccc(cc1C(C)C)OC 7a_100011998526_100000210202 [0,2,0,0,0,0|2,0,0]=4 1441 B14R1.5238 CCOc1ccc(cc1C(C)NC)Br 269862a_106832991636_100000173016 [0,2,0,0,0,0|2,0,0]=4 1442 B14R1.5238 CCOc1ccc(cc1C(C)NC)Cl 269862a_106832991636_100000173017 [0,2,0,0,0,0|2,0,0]=4 1443 B14R1.6074 CC(C)Oc1ccc(cc1C(C)C)Br 34a_100000691460_100000210206 [0,2,0,0,0,0|2,0,0]=4 1444 B14R1.6074 CC(C)Oc1ccc(cc1C(C)C)Br 7a_100000691460_100000210206 [0,2,0,0,0,0|2,0,0]=4 1445 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)Br 34a_100000704011_100000210202 [0,2,0,0,0,0|2,0,0]=4 1446 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)Br 7a_100000704011_100000210202 [0,2,0,0,0,0|2,0,0]=4 1447 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)C 34a_100000211090_100000210202 [0,2,0,0,0,0|2,0,0]=4 1448 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)C 7a_100000211090_100000210202 [0,2,0,0,0,0|2,0,0]=4 1449 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)Cl 34a_100012180897_100000210202 [0,2,0,0,0,0|2,0,0]=4 1450 B14R1.6722 CCOc1ccc(cc1C(C)(C)C)Cl 7a_100012180897_100000210202 [0,2,0,0,0,0|2,0,0]=4 1451 B14R1.10275 CCOc1cc(c(cc1C(C)C)Cl)C 34a_100000211603_100000210202 [0,2,0,0,0,0|2,0,0]=4 1452 B14R1.10275 CCOc1cc(c(cc1C(C)C)Cl)C 7a_100000211603_100000210202 [0,2,0,0,0,0|2,0,0]=4 1453 B14R1.10275 CCOc1cc(c(cc1C(C)C)N)C 34a_100000686282_100000210202 [0,2,0,0,0,0|2,0,0]=4 1454 B14R1.10275 CCOc1cc(c(cc1C(C)C)N)C 7a_100000686282_100000210202 [0,2,0,0,0,0|2,0,0]=4 1455 B14R1.164 CC(=Cc1nc(cnc1C(C)C)C)C 271570a_100102525489_100015629263 [0,2,0,0,0,0|1,0,1]=4 1456 B14R1.164 Cc1ccc(c(c1)OC(C)C)C(C)C 34a_100000185798_100000210206 [0,2,0,0,0,0|2,0,0]=4 1457 B14R1.164 Cc1ccc(c(c1)OC(C)C)C(C)C 7a_100000185798_100000210206 [0,2,0,0,0,0|2,0,0]=4 1458 B14R1.164 Cc1cnc(c(n1)NC(C)C)C(C)C 27a_100138425928_100015629263 [0,2,0,0,0,0|1,0,0]=3 1459 B14R1.164 Cc1cnc(c(n1)SC(C)C)C(C)C 62a_100000210206_100015629263 [0,2,0,0,0,0|0,1,0]=3 1460 B14R1.164 Cc1cnc(c(n1)SC(C)C)C(C)C 62a_100015629263_100000210206 [0,2,0,0,0,0|0,1,0]=3 1461 B14R1.440 CCOc1cc(ccc1C(C)(C)C)C 34a_100000212021_100000210202 [0,2,0,0,0,0|2,0,0]=4 1462 B14R1.440 CCOc1cc(ccc1C(C)(C)C)C 7a_100000212021_100000210202 [0,2,0,0,0,0|2,0,0]=4 1463 B14R1.760 C#CCNc1nc(cnc1C(C)C)C 27a_100000212058_100015629263 [0,2,0,0,0,0|1,0,1]=4 1464 B14R1.760 C#CCSc1nc(cnc1C(C)C)C 62a_100000038162_100015629263 [0,2,0,0,0,0|0,1,1]=4 1465 B14R1.760 C=CCNc1nc(cnc1C(C)C)C 27a_100020586998_100015629263 [0,2,0,0,0,0|1,0,1]=4 1466 B14R1.760 C=CCSc1nc(cnc1C(C)C)C 62a_100000210623_100015629263 [0,2,0,0,0,0|0,1,1]=4 1467 B14R1.760 C=CCSc1nc(cnc1C(C)C)C 62a_100015629263_100000210623 [0,2,0,0,0,0|0,1,1]=4 1468 B14R1.760 CCCCc1nc(cnc1C(C)C)C 271570a_100020621405_100015629263 [0,2,0,0,0,0|1,0,0]=3 1469 B14R1.760 CCCOc1cc(ccc1C(C)C)C 34a_100000185798_100000210303 [0,2,0,0,0,0|2,0,0]=4 1470 B14R1.760 CCCOc1cc(ccc1C(C)C)C 7a_100000185798_100000210303 [0,2,0,0,0,0|2,0,0]=4 1471 B14R1.760 CCCSc1nc(cnc1C(C)C)C 62a_100000210303_100015629263 [0,2,0,0,0,0|0,1,0]=3 1472 B14R1.760 CCCSc1nc(cnc1C(C)C)C 62a_100015629263_100000210303 [0,2,0,0,0,0|0,1,0]=3 1473 B14R1.760 COCSc1nc(cnc1C(C)C)C 62a_100000766300_100015629263 [0,2,0,0,0,0|0,1,0]=3 1474 B14R1.760 COCSc1nc(cnc1C(C)C)C 62a_100015629263_100000766300 [0,2,0,0,0,0|0,1,0]=3 1475 B14R1.760 CSCOc1cc(ccc1C(C)C)C 34a_100000185798_100011218213 [0,2,0,0,0,0|2,0,0]=4 1476 B14R1.760 CSCSc1nc(cnc1C(C)C)C 62a_100011218213_100015629263 [0,2,0,0,0,0|0,1,0]=3 1477 B14R1.760 CSCSc1nc(cnc1C(C)C)C 62a_100015629263_100011218213 [0,2,0,0,0,0|0,1,0]=3 1478 B14R1.760 Cc1ccc(c(c1)OCCF)C(C)C 34a_100000185798_100011217306 [0,2,0,0,0,0|2,0,0]=4 1479 B14R1.760 Cc1ccc(c(c1)OCCF)C(C)C 7a_100000185798_100011217306 [0,2,0,0,0,0|2,0,0]=4 1480 B14R1.760 Cc1ccc(c(c1)OCCO)C(C)C 34a_100000185798_100000211926 [0,2,0,0,0,0|2,0,0]=4 1481 B14R1.760 Cc1ccc(c(c1)OCCO)C(C)C 7a_100000185798_100000211926 [0,2,0,0,0,0|2,0,0]=4 1482 B14R1.760 Cc1cnc(c(n1)NCCO)C(C)C 27a_100000210304_100015629263 [0,2,0,0,0,0|1,0,0]=3 1483 B14R1.760 Cc1cnc(c(n1)SCC#N)C(C)C 62a_100011215382_100015629263 [0,2,0,0,0,0|0,1,1]=4 1484 B14R1.760 Cc1cnc(c(n1)SCC#N)C(C)C 62a_100015629263_100011215382 [0,2,0,0,0,0|0,1,1]=4 1485 B14R1.760 Cc1cnc(c(n1)SCC=O)C(C)C 62a_100015629263_200015260668 [0,2,0,0,0,0|0,1,1]=4 1486 B14R1.760 Cc1cnc(c(n1)SCC=O)C(C)C 62a_200015260668_100015629263 [0,2,0,0,0,0|0,1,1]=4 1487 B14R1.760 Cc1cnc(c(n1)SCCF)C(C)C 62a_100011217306_100015629263 [0,2,0,0,0,0|0,1,0]=3 1488 B14R1.760 Cc1cnc(c(n1)SCCF)C(C)C 62a_100015629263_100011217306 [0,2,0,0,0,0|0,1,0]=3 1489 B14R1.760 Cc1cnc(c(n1)SCCO)C(C)C 62a_100000211926_100015629263 [0,2,0,0,0,0|0,1,0]=3 1490 B14R1.760 Cc1cnc(c(n1)SCCO)C(C)C 62a_100015629263_100000211926 [0,2,0,0,0,0|0,1,0]=3 1491 B14R1.788 CC(C)(C)c1ccccc1OCCF 34a_100000211619_100011217306 [0,2,0,0,0,0|2,0,0]=4 1492 B14R1.788 CC(C)(C)c1ccccc1OCCF 7a_100000211619_100011217306 [0,2,0,0,0,0|2,0,0]=4 1493 B14R1.788 CC(C)(C)c1ccccc1OCCO 34a_100000211619_100000211926 [0,2,0,0,0,0|2,0,0]=4 1494 B14R1.788 CC(C)(C)c1ccccc1OCCO 7a_100000211619_100000211926 [0,2,0,0,0,0|2,0,0]=4 1495 B14R1.788 CC(C)(O)c1cccnc1SCCF 62a_100010080783_100011217306 [0,2,0,0,0,0|1,1,0]=4 1496 B14R1.788 CC(C)(O)c1cccnc1SCCF 62a_100011217306_100010080783 [0,2,0,0,0,0|1,1,0]=4 1497 B14R1.788 CC(C)(O)c1cccnc1SCCO 62a_100000211926_100010080783 [0,2,0,0,0,0|1,1,0]=4 1498 B14R1.788 CC(C)(O)c1cccnc1SCCO 62a_100010080783_100000211926 [0,2,0,0,0,0|1,1,0]=4 1499 B14R1.788 CC(C)(O)c1ncccc1SCCF 62a_100011217306_200010080787 [0,2,0,0,0,0|1,1,0]=4 1500 B14R1.788 CC(C)(O)c1ncccc1SCCF 62a_200010080787_100011217306 [0,2,0,0,0,0|1,1,0]=4 1501 B14R1.788 CC(C)(O)c1ncccc1SCCO 62a_100000211926_200010080787 [0,2,0,0,0,0|1,1,0]=4 1502 B14R1.788 CC(C)(O)c1ncccc1SCCO 62a_200010080787_100000211926 [0,2,0,0,0,0|1,1,0]=4 1503 B14R1.788 CCCCc1cccnc1C(C)(C)O 271570a_100020621405_200010080787 [0,2,0,0,0,0|2,0,0]=4 1504 B14R1.788 CCCCc1ncccc1C(C)(C)O 271570a_100020621405_100010080783 [0,2,0,0,0,0|2,0,0]=4 1505 B14R1.788 CCCOc1ccccc1C(C)(C)C 34a_100000211619_100000210303 [0,2,0,0,0,0|2,0,0]=4 1506 B14R1.788 CCCOc1ccccc1C(C)(C)C 7a_100000211619_100000210303 [0,2,0,0,0,0|2,0,0]=4 1507 B14R1.788 CCCOc1nccnc1C(F)(F)F 34a_200009888604_100000210303 [0,2,0,0,0,0|2,0,0]=4 1508 B14R1.788 CCCSc1cccnc1C(C)(C)O 62a_100000210303_200010080787 [0,2,0,0,0,0|1,1,0]=4 1509 B14R1.788 CCCSc1cccnc1C(C)(C)O 62a_200010080787_100000210303 [0,2,0,0,0,0|1,1,0]=4 1510 B14R1.788 CCCSc1ncccc1C(C)(C)O 62a_100000210303_100010080783 [0,2,0,0,0,0|1,1,0]=4 1511 B14R1.788 CCCSc1ncccc1C(C)(C)O 62a_100010080783_100000210303 [0,2,0,0,0,0|1,1,0]=4 1512 B14R1.788 COCSc1cccnc1C(C)(C)O 62a_100000766300_200010080787 [0,2,0,0,0,0|1,1,0]=4 1513 B14R1.788 COCSc1cccnc1C(C)(C)O 62a_200010080787_100000766300 [0,2,0,0,0,0|1,1,0]=4 1514 B14R1.788 COCSc1ncccc1C(C)(C)O 62a_100000766300_100010080783 [0,2,0,0,0,0|1,1,0]=4 1515 B14R1.788 COCSc1ncccc1C(C)(C)O 62a_100010080783_100000766300 [0,2,0,0,0,0|1,1,0]=4 1516 B14R1.788 CSCOc1ccccc1C(C)(C)C 34a_100000211619_100011218213 [0,2,0,0,0,0|2,0,0]=4 1517 B14R1.788 CSCOc1nccnc1C(F)(F)F 34a_200009888604_100011218213 [0,2,0,0,0,0|2,0,0]=4 1518 B14R1.788 CSCSc1cccnc1C(C)(C)O 62a_100011218213_200010080787 [0,2,0,0,0,0|1,1,0]=4 1519 B14R1.788 CSCSc1cccnc1C(C)(C)O 62a_200010080787_100011218213 [0,2,0,0,0,0|1,1,0]=4 1520 B14R1.788 CSCSc1ncccc1C(C)(C)O 62a_100010080783_100011218213 [0,2,0,0,0,0|1,1,0]=4 1521 B14R1.788 CSCSc1ncccc1C(C)(C)O 62a_100011218213_100010080783 [0,2,0,0,0,0|1,1,0]=4 1522 B14R1.788 FCCOc1nccnc1C(F)(F)F 34a_200009888604_100011217306 [0,2,0,0,0,0|2,0,0]=4 1523 B14R1.788 OCCOc1nccnc1C(F)(F)F 34a_200009888604_100000211926 [0,2,0,0,0,0|2,0,0]=4 1524 B14R1.815 CC(C)Oc1ccccc1C(C)(C)C 34a_100000211619_100000210206 [0,2,0,0,0,0|2,0,0]=4 1525 B14R1.815 CC(C)Oc1ccccc1C(C)(C)C 7a_100000211619_100000210206 [0,2,0,0,0,0|2,0,0]=4 1526 B14R1.815 CC(C)Oc1nccnc1C(F)(F)F 34a_200009888604_100000210206 [0,2,0,0,0,0|2,0,0]=4 1527 B14R1.815 CC(C)Sc1cccnc1C(C)(C)O 62a_100000210206_200010080787 [0,2,0,0,0,0|1,1,0]=4 1528 B14R1.815 CC(C)Sc1cccnc1C(C)(C)O 62a_200010080787_100000210206 [0,2,0,0,0,0|1,1,0]=4 1529 B14R1.815 CC(C)Sc1ncccc1C(C)(C)O 62a_100000210206_100010080783 [0,2,0,0,0,0|1,1,0]=4 1530 B14R1.815 CC(C)Sc1ncccc1C(C)(C)O 62a_100010080783_100000210206 [0,2,0,0,0,0|1,1,0]=4 1531 B14R1.5091 CCOc1c(cccc1C(C)(C)C)Br 34a_100010083445_100000210202 [0,2,0,0,0,0|2,0,0]=4 1532 B14R1.5091 CCOc1c(cccc1C(C)(C)C)Br 7a_100010083445_100000210202 [0,2,0,0,0,0|2,0,0]=4 1533 B14R1.5091 CCOc1c(cccc1C(C)(C)C)C 34a_100000039572_100000210202 [0,2,0,0,0,0|2,0,0]=4 1534 B14R1.5091 CCOc1c(cccc1C(C)(C)C)C 7a_100000039572_100000210202 [0,2,0,0,0,0|2,0,0]=4 1535 B14R1.5220 CCOc1ccccc1C(C)(C)CC 7a_100000065868_100000210202 [0,2,0,0,0,0|2,0,0]=4 1536 B14R1.263 C#CCN(C)c1nccnc1OCC 27a_100000225692_200010128176 [0,2,0,0,0,0|1,0,0]=3 1537 B14R1.263 CCCN(C)c1nccnc1OCC 27a_100000747261_200010128176 [0,2,0,0,0,0|1,0,0]=3 1538 B14R1.263 CCNC(C)c1ccccc1OCC 2230a_100000737537_100000210202 [0,2,0,0,0,0|2,0,0]=4 1539 B14R1.263 CCNC(C)c1ccccc1OCC 269862a_100015525214_100000172999 [0,2,0,0,0,0|2,0,0]=4 1540 B14R1.263 CCNC(C)c1cccnc1OCC 269862a_100015525214_100012039643 [0,2,0,0,0,0|1,0,0]=3 1541 B14R1.263 CCOc1ccccc1C(C)OCC 7a_100000246524_100000210202 [0,2,0,0,0,0|2,0,0]=4 1542 B14R1.263 CCOc1ccccc1C(C)OCF 7a_100000246524_100015361967 [0,2,0,0,0,0|2,0,0]=4 1543 B14R1.263 CCOc1nccnc1N(C)CCO 27a_100000210263_200010128176 [0,2,0,0,0,0|1,0,0]=3 1544 B14R1.484 CCOc1nccnc1N(CC)CC 27a_100000724800_200010128176 [0,2,0,0,0,0|1,0,0]=3 1545 B14R1.789 CCC(C)c1ccccc1OCCF 7a_100000211618_100011217306 [0,2,0,0,0,0|2,0,0]=4 1546 B14R1.789 CCC(C)c1ccccc1OCCO 7a_100000211618_100000211926 [0,2,0,0,0,0|2,0,0]=4 1547 B14R1.789 CCCCc1cccnc1[C@H](C)OC 271570a_100020621405_106256553109 [0,2,0,0,0,0|2,0,0]=4 1548 B14R1.789 CCCOc1ccccc1C(C)CC 7a_100000211618_100000210303 [0,2,0,0,0,0|2,0,0]=4 1549 B14R1.789 CCCSc1cccnc1[C@H](C)OC 62a_100000210303_106256553109 [0,2,0,0,0,0|1,1,0]=4 1550 B14R1.789 CCCSc1cccnc1[C@H](C)OC 62a_106256553109_100000210303 [0,2,0,0,0,0|1,1,0]=4 1551 B14R1.789 COCSc1cccnc1[C@H](C)OC 62a_100000766300_106256553109 [0,2,0,0,0,0|1,1,0]=4 1552 B14R1.789 COCSc1cccnc1[C@H](C)OC 62a_106256553109_100000766300 [0,2,0,0,0,0|1,1,0]=4 1553 B14R1.789 CO[C@@H](C)c1ncccc1SCCF 62a_100011217306_106256553109 [0,2,0,0,0,0|1,1,0]=4 1554 B14R1.789 CO[C@@H](C)c1ncccc1SCCF 62a_106256553109_100011217306 [0,2,0,0,0,0|1,1,0]=4 1555 B14R1.789 CO[C@@H](C)c1ncccc1SCCO 62a_100000211926_106256553109 [0,2,0,0,0,0|1,1,0]=4 1556 B14R1.789 CO[C@@H](C)c1ncccc1SCCO 62a_106256553109_100000211926 [0,2,0,0,0,0|1,1,0]=4 1557 B14R1.789 CO[C@@H](C)c1ncccc1SCSC 62a_100011218213_106256553109 [0,2,0,0,0,0|1,1,0]=4 1558 B14R1.789 CO[C@@H](C)c1ncccc1SCSC 62a_106256553109_100011218213 [0,2,0,0,0,0|1,1,0]=4 1559 B14R1.405 CCN(CC)c1nccnc1N(C)C 27a_100000724800_100000703087 [0,2,0,0,0,0|2,0,0]=4 1560 B14R1.429 CC(C)N(C)c1nccnc1N(C)C 27a_200000211004_100000703087 [0,2,0,0,0,0|2,0,0]=4 1561 B14R1.623 CCCN(C)c1nccnc1N(C)C 27a_100000747261_100000703087 [0,2,0,0,0,0|2,0,0]=4 1562 B14R1.623 CCOC(=O)c1cccnc1N(C)C 27a_100102631434_100000170124 [0,2,0,0,0,0|2,0,0]=4 1563 B14R1.623 CCOC(=O)c1nccnc1N(C)C 27a_100102631434_100000085455 [0,2,0,0,0,0|1,0,0]=3 1564 B14R1.623 CN(C)c1nccnc1N(C)CCO 27a_100000210263_100000703087 [0,2,0,0,0,0|2,0,0]=4 1565 B14R1.903 C#CCCNc1nccnc1N(C)C 27a_100000755551_100000703087 [0,2,0,0,0,0|2,0,0]=4 1566 B14R1.903 C#CCCOc1ccccc1C(C)C 34a_100000211617_100000688953 [0,2,0,0,0,0|2,0,0]=4 1567 B14R1.903 C#CCCOc1ccccc1C(C)C 7a_100000211617_100000688953 [0,2,0,0,0,0|2,0,0]=4 1568 B14R1.903 C#CCCOc1cccnc1C(C)C 34a_100012183336_100000688953 [0,2,0,0,0,0|1,0,0]=3 1569 B14R1.903 C#CCCOc1cccnc1C(C)C 7a_100012183336_100000688953 [0,2,0,0,0,0|1,0,0]=3 1570 B14R1.903 C#CCCSc1ncccc1C(C)C 62a_100000688953_200010382935 [0,2,0,0,0,0|1,1,0]=4 1571 B14R1.903 C#CCCSc1ncccc1C(C)C 62a_200010382935_100000688953 [0,2,0,0,0,0|1,1,0]=4 1572 B14R1.903 C#CCCSc1nccnc1N(C)C 62a_100000688953_100000703087 [0,2,0,0,0,0|1,1,0]=4 1573 B14R1.903 C#CCOCc1ncccc1C(C)C 34a_100000210247_200134614246 [0,2,0,0,0,0|1,0,1]=4 1574 B14R1.903 C#CCOCc1ncccc1C(C)C 34a_200009878718_100000184674 [0,2,0,0,0,0|1,0,1]=4 1575 B14R1.903 C/C=C/COc1ccccc1C(C)C 34a_100000211617_100102629194 [0,2,0,0,0,0|2,0,0]=4 1576 B14R1.903 C/C=C/COc1ccccc1C(C)C 7a_100000211617_100102629194 [0,2,0,0,0,0|2,0,0]=4 1577 B14R1.903 C/C=C/COc1cccnc1C(C)C 34a_100012183336_100102629194 [0,2,0,0,0,0|1,0,0]=3 1578 B14R1.903 C/C=C/COc1cccnc1C(C)C 7a_100012183336_100102629194 [0,2,0,0,0,0|1,0,0]=3 1579 B14R1.903 C/C=C/CSc1ncccc1C(C)C 62a_100102629194_200010382935 [0,2,0,0,0,0|1,1,0]=4 1580 B14R1.903 C/C=C/CSc1ncccc1C(C)C 62a_200010382935_100102629194 [0,2,0,0,0,0|1,1,0]=4 1581 B14R1.903 C/C=C/CSc1nccnc1N(C)C 62a_100102629194_100000703087 [0,2,0,0,0,0|1,1,0]=4 1582 B14R1.903 C=CCCNc1nccnc1N(C)C 27a_100015191253_100000703087 [0,2,0,0,0,0|2,0,0]=4 1583 B14R1.903 C=CCCOc1ccccc1C(C)C 34a_100000211617_100000754431 [0,2,0,0,0,0|2,0,0]=4 1584 B14R1.903 C=CCCOc1ccccc1C(C)C 7a_100000211617_100000754431 [0,2,0,0,0,0|2,0,0]=4 1585 B14R1.903 C=CCCOc1cccnc1C(C)C 34a_100012183336_100000754431 [0,2,0,0,0,0|1,0,0]=3 1586 B14R1.903 C=CCCOc1cccnc1C(C)C 7a_100012183336_100000754431 [0,2,0,0,0,0|1,0,0]=3 1587 B14R1.903 C=CCCSc1ncccc1C(C)C 62a_100000754431_200010382935 [0,2,0,0,0,0|1,1,0]=4 1588 B14R1.903 C=CCCSc1ncccc1C(C)C 62a_200010382935_100000754431 [0,2,0,0,0,0|1,1,0]=4 1589 B14R1.903 C=CCCSc1nccnc1N(C)C 62a_100000754431_100000703087 [0,2,0,0,0,0|1,1,0]=4 1590 B14R1.903 C=CCOCc1ncccc1C(C)C 34a_200000210373_200134614246 [0,2,0,0,0,0|1,0,1]=4 1591 B14R1.903 C=CCOCc1ncccc1C(C)C 34a_200009878718_100015514636 [0,2,0,0,0,0|1,0,1]=4 1592 B14R1.903 CC#CCNc1nccnc1N(C)C 27a_100000685387_100000703087 [0,2,0,0,0,0|2,0,0]=4 1593 B14R1.903 CC#CCOc1ccccc1C(C)C 34a_100000211617_100000748600 [0,2,0,0,0,0|2,0,0]=4 1594 B14R1.903 CC#CCOc1ccccc1C(C)C 7a_100000211617_100000748600 [0,2,0,0,0,0|2,0,0]=4 1595 B14R1.903 CC#CCOc1cccnc1C(C)C 34a_100012183336_100000748600 [0,2,0,0,0,0|1,0,0]=3 1596 B14R1.903 CC#CCOc1cccnc1C(C)C 7a_100012183336_100000748600 [0,2,0,0,0,0|1,0,0]=3 1597 B14R1.903 CC#CCSc1ncccc1C(C)C 62a_100000748600_200010382935 [0,2,0,0,0,0|1,1,0]=4 1598 B14R1.903 CC#CCSc1ncccc1C(C)C 62a_200010382935_100000748600 [0,2,0,0,0,0|1,1,0]=4 1599 B14R1.903 CC#CCSc1nccnc1N(C)C 62a_100000748600_100000703087 [0,2,0,0,0,0|1,1,0]=4 1600 B14R1.903 CC(C)c1ccccc1OCCC#N 7a_100000211617_100000184422 [0,2,0,0,0,0|2,0,0]=4 1601 B14R1.903 CC(C)c1ccccc1OCCCF 34a_100000211617_100011934791 [0,2,0,0,0,0|2,0,0]=4 1602 B14R1.903 CC(C)c1ccccc1OCCCF 7a_100000211617_100011934791 [0,2,0,0,0,0|2,0,0]=4 1603 B14R1.903 CC(C)c1ccccc1OCCCO 34a_100000211617_100000230001 [0,2,0,0,0,0|2,0,0]=4 1604 B14R1.903 CC(C)c1ccccc1OCCCO 7a_100000211617_100011215043 [0,2,0,0,0,0|2,0,0]=4 1605 B14R1.903 CC(C)c1ccccc1OCCN[13CH3] 2230a_100000754683_200025704644 [0,2,0,0,0,0|2,0,0]=4 1606 B14R1.903 CC(C)c1ccccc1OCCN[13CH3] 34a_100000754683_200025704644 [0,2,0,0,0,0|2,0,0]=4 1607 B14R1.903 CC(C)c1cccnc1CNCCF 34a_100000724931_200134614246 [0,2,0,0,0,0|2,0,0]=4 1608 B14R1.903 CC(C)c1cccnc1CNCCO 2230a_100016997473_200134614246 [0,2,0,0,0,0|2,0,0]=4 1609 B14R1.903 CC(C)c1cccnc1CNCCO 34a_100016990907_200134614246 [0,2,0,0,0,0|2,0,0]=4 1610 B14R1.903 CC(C)c1cccnc1COCC=O 34a_200009878718_200009817547 [0,2,0,0,0,0|1,0,1]=4 1611 B14R1.903 CC(C)c1cccnc1COCCBr 34a_100000211926_200134614246 [0,2,0,0,0,0|1,0,0]=3 1612 B14R1.903 CC(C)c1cccnc1COCCF 34a_200009878718_100011217306 [0,2,0,0,0,0|1,0,0]=3 1613 B14R1.903 CC(C)c1cccnc1COCCN 34a_100000210304_200134614246 [0,2,0,0,0,0|1,0,0]=3 1614 B14R1.903 CC(C)c1cccnc1COCCO 34a_200009878718_100000211926 [0,2,0,0,0,0|1,0,0]=3 1615 B14R1.903 CC(C)c1cccnc1CSCCF 62a_100011217306_200134614246 [0,2,0,0,0,0|1,1,0]=4 1616 B14R1.903 CC(C)c1cccnc1CSCCF 62a_200134614246_100011217306 [0,2,0,0,0,0|1,1,0]=4 1617 B14R1.903 CC(C)c1cccnc1CSCCO 62a_100000211926_200134614246 [0,2,0,0,0,0|1,1,0]=4 1618 B14R1.903 CC(C)c1cccnc1CSCCO 62a_200134614246_100000211926 [0,2,0,0,0,0|1,1,0]=4 1619 B14R1.903 CC(C)c1cccnc1SCCC#N 62a_100011215226_200010382935 [0,2,0,0,0,0|1,1,0]=4 1620 B14R1.903 CC(C)c1cccnc1SCCC#N 62a_200010382935_100011215226 [0,2,0,0,0,0|1,1,0]=4 1621 B14R1.903 CC(C)c1cccnc1SCCCF 62a_100011934791_200010382935 [0,2,0,0,0,0|1,1,0]=4 1622 B14R1.903 CC(C)c1cccnc1SCCCF 62a_200010382935_100011934791 [0,2,0,0,0,0|1,1,0]=4 1623 B14R1.903 CC(C)c1cccnc1SCCCO 62a_100011215043_200010382935 [0,2,0,0,0,0|1,1,0]=4 1624 B14R1.903 CC(C)c1cccnc1SCCCO 62a_200010382935_100011215043 [0,2,0,0,0,0|1,1,0]=4 1625 B14R1.903 CC(C)c1ncccc1OCCC#N 7a_100012183336_100000184422 [0,2,0,0,0,0|1,0,0]=3 1626 B14R1.903 CC(C)c1ncccc1OCCCF 34a_100012183336_100011934791 [0,2,0,0,0,0|1,0,0]=3 1627 B14R1.903 CC(C)c1ncccc1OCCCF 7a_100012183336_100011934791 [0,2,0,0,0,0|1,0,0]=3 1628 B14R1.903 CC(C)c1ncccc1OCCCO 34a_100012183336_100000230001 [0,2,0,0,0,0|1,0,0]=3 1629 B14R1.903 CC(C)c1ncccc1OCCCO 7a_100012183336_100011215043 [0,2,0,0,0,0|1,0,0]=3 1630 B14R1.903 CC=CCOc1ccccc1C(C)C 34a_100000211617_100000070051 [0,2,0,0,0,0|2,0,0]=4 1631 B14R1.903 CC=CCOc1ccccc1C(C)C 7a_100000211617_100000070051 [0,2,0,0,0,0|2,0,0]=4 1632 B14R1.903 CC=CCOc1cccnc1C(C)C 34a_100012183336_100000070051 [0,2,0,0,0,0|1,0,0]=3 1633 B14R1.903 CC=CCOc1cccnc1C(C)C 7a_100012183336_100000070051 [0,2,0,0,0,0|1,0,0]=3 1634 B14R1.903 CC=CCSc1ncccc1C(C)C 62a_100000070051_200010382935 [0,2,0,0,0,0|1,1,0]=4 1635 B14R1.903 CC=CCSc1ncccc1C(C)C 62a_200010382935_100000070051 [0,2,0,0,0,0|1,1,0]=4 1636 B14R1.903 CC=CCSc1nccnc1N(C)C 62a_100000070051_100000703087 [0,2,0,0,0,0|1,1,0]=4 1637 B14R1.903 CCCC=Cc1ncccc1C(C)C 271570a_100016258520_200010382935 [0,2,0,0,0,0|2,0,0]=4 1638 B14R1.903 CCCC=Cc1nccnc1N(C)C 271570a_100016258520_100000703087 [0,2,0,0,0,0|2,0,0]=4 1639 B14R1.903 CCCCNc1nccnc1N(C)C 27a_100000102301_100000703087 [0,2,0,0,0,0|2,0,0]=4 1640 B14R1.903 CCCCOc1ccccc1C(C)C 34a_100000211617_100000210210 [0,2,0,0,0,0|2,0,0]=4 1641 B14R1.903 CCCCOc1ccccc1C(C)C 7a_100000211617_100000210211 [0,2,0,0,0,0|2,0,0]=4 1642 B14R1.903 CCCCOc1cccnc1C(C)C 34a_100012183336_100000210210 [0,2,0,0,0,0|1,0,0]=3 1643 B14R1.903 CCCCOc1cccnc1C(C)C 7a_100012183336_100000210211 [0,2,0,0,0,0|1,0,0]=3 1644 B14R1.903 CCCCSc1ncccc1C(C)C 62a_100000210211_200010382935 [0,2,0,0,0,0|1,1,0]=4 1645 B14R1.903 CCCCSc1ncccc1C(C)C 62a_200010382935_100000210210 [0,2,0,0,0,0|1,1,0]=4 1646 B14R1.903 CCCCSc1nccnc1N(C)C 62a_100000210211_100000703087 [0,2,0,0,0,0|1,1,0]=4 1647 B14R1.903 CCCOCc1ncccc1C(C)C 34a_100000210258_200134614246 [0,2,0,0,0,0|1,0,0]=3 1648 B14R1.903 CCCOCc1ncccc1C(C)C 34a_200009878718_100000210303 [0,2,0,0,0,0|1,0,0]=3 1649 B14R1.903 CCCSCc1ncccc1C(C)C 62a_100000210303_200134614246 [0,2,0,0,0,0|1,1,0]=4 1650 B14R1.903 CCCSCc1ncccc1C(C)C 62a_200134614246_100000210303 [0,2,0,0,0,0|1,1,0]=4 1651 B14R1.903 CCOC=Cc1ccccc1C(C)C 271570a_100016256518_100011218076 [0,2,0,0,0,0|2,0,0]=4 1652 B14R1.903 CCOC=Cc1cccnc1C(C)N 271570a_100016256518_100159271932 [0,2,0,0,0,0|2,0,0]=4 1653 B14R1.903 CCOC=Cc1cccnc1N(C)C 271570a_100016256518_100011465059 [0,2,0,0,0,0|2,0,0]=4 1654 B14R1.903 CCOC=Cc1cccnc1[C@H](C)O 271570a_100016256518_100013325542 [0,2,0,0,0,0|2,0,0]=4 1655 B14R1.903 CCOC=Cc1cncnc1C(C)C 271570a_100016256518_100009816988 [0,2,0,0,0,0|2,0,0]=4 1656 B14R1.903 CCOC=Cc1ncccc1C(C)C 271570a_100016256518_200010382935 [0,2,0,0,0,0|1,0,0]=3 1657 B14R1.903 CCOC=Cc1ncccc1C(C)O 271570a_100016256518_100009865335 [0,2,0,0,0,0|2,0,0]=4 1658 B14R1.903 CCOC=Cc1nccnc1C(=O)C 271570a_100016256518_100000099859 [0,2,0,0,0,0|1,0,1]=4 1659 B14R1.903 CCOC=Cc1nccnc1N(C)C 271570a_100016256518_100000703087 [0,2,0,0,0,0|1,0,0]=3 1660 B14R1.903 CCOCSc1ccccc1C(C)C 62a_100000708600_100000739092 [0,2,0,0,0,0|2,0,0]=4 1661 B14R1.903 CCOCSc1ccccc1C(C)C 62a_100000739092_100000708600 [0,2,0,0,0,0|2,0,0]=4 1662 B14R1.903 CCOCSc1cccnc1C(C)N 62a_100000739092_100159271932 [0,2,0,0,0,0|2,0,0]=4 1663 B14R1.903 CCOCSc1cccnc1C(C)N 62a_100159271932_100000739092 [0,2,0,0,0,0|2,0,0]=4 1664 B14R1.903 CCOCSc1cccnc1N(C)C 62a_100000739092_100011465059 [0,2,0,0,0,0|2,0,0]=4 1665 B14R1.903 CCOCSc1cccnc1N(C)C 62a_100011465059_100000739092 [0,2,0,0,0,0|2,0,0]=4 1666 B14R1.903 CCOCSc1cccnc1[C@H](C)O 62a_100000739092_100013325542 [0,2,0,0,0,0|2,0,0]=4 1667 B14R1.903 CCOCSc1cccnc1[C@H](C)O 62a_100013325542_100000739092 [0,2,0,0,0,0|2,0,0]=4 1668 B14R1.903 CCOCSc1cncnc1C(C)C 62a_100000739092_100009816988 [0,2,0,0,0,0|2,0,0]=4 1669 B14R1.903 CCOCSc1cncnc1C(C)C 62a_100009816988_100000739092 [0,2,0,0,0,0|2,0,0]=4 1670 B14R1.903 CCOCSc1ncccc1C(C)C 62a_100000739092_200010382935 [0,2,0,0,0,0|1,0,0]=3 1671 B14R1.903 CCOCSc1ncccc1C(C)C 62a_200010382935_100000739092 [0,2,0,0,0,0|1,0,0]=3 1672 B14R1.903 CCOCSc1ncccc1C(C)O 62a_100000739092_100009865335 [0,2,0,0,0,0|2,0,0]=4 1673 B14R1.903 CCOCSc1ncccc1C(C)O 62a_100009865335_100000739092 [0,2,0,0,0,0|2,0,0]=4 1674 B14R1.903 CCOCSc1nccnc1C(=O)C 62a_100000099859_100000739092 [0,2,0,0,0,0|1,0,1]=4 1675 B14R1.903 CCOCSc1nccnc1C(=O)C 62a_100000739092_100000099859 [0,2,0,0,0,0|1,0,1]=4 1676 B14R1.903 CCOCSc1nccnc1N(C)C 62a_100000739092_100000703087 [0,2,0,0,0,0|1,0,0]=3 1677 B14R1.903 CN(C)c1nccnc1NCCC#N 27a_100000720768_100000703087 [0,2,0,0,0,0|2,0,0]=4 1678 B14R1.903 CN(C)c1nccnc1NCCCF 27a_100015189416_100000703087 [0,2,0,0,0,0|2,0,0]=4 1679 B14R1.903 CN(C)c1nccnc1NCCCO 27a_100000182051_100000703087 [0,2,0,0,0,0|2,0,0]=4 1680 B14R1.903 CN(C)c1nccnc1SCCC#N 62a_100011215226_100000703087 [0,2,0,0,0,0|1,1,0]=4 1681 B14R1.903 CN(C)c1nccnc1SCCCF 62a_100011934791_100000703087 [0,2,0,0,0,0|1,1,0]=4 1682 B14R1.903 CN(C)c1nccnc1SCCCO 62a_100011215043_100000703087 [0,2,0,0,0,0|1,1,0]=4 1683 B14R1.903 CNCCOc1ccccc1C(C)C 2230a_100000754683_200000210301 [0,2,0,0,0,0|2,0,0]=4 1684 B14R1.903 CNCCOc1ccccc1C(C)C 34a_100000754683_200000210301 [0,2,0,0,0,0|2,0,0]=4 1685 B14R1.903 COCC=Cc1ncccc1C(C)C 271570a_100016286323_200010382935 [0,2,0,0,0,0|2,0,0]=4 1686 B14R1.903 COCC=Cc1nccnc1N(C)C 271570a_100016286323_100000703087 [0,2,0,0,0,0|2,0,0]=4 1687 B14R1.903 COCCNc1nccnc1N(C)C 27a_100000209980_100000703087 [0,2,0,0,0,0|2,0,0]=4 1688 B14R1.903 COCCOc1ccccc1C(C)C 34a_100000211617_100011201679 [0,2,0,0,0,0|2,0,0]=4 1689 B14R1.903 COCCOc1ccccc1C(C)C 7a_100000211617_100000233755 [0,2,0,0,0,0|2,0,0]=4 1690 B14R1.903 COCCOc1cccnc1C(C)C 34a_100012183336_100011201679 [0,2,0,0,0,0|1,0,0]=3 1691 B14R1.903 COCCOc1cccnc1C(C)C 7a_100012183336_100000233755 [0,2,0,0,0,0|1,0,0]=3 1692 B14R1.903 COCCSc1ncccc1C(C)C 62a_100000233755_200010382935 [0,2,0,0,0,0|1,1,0]=4 1693 B14R1.903 COCCSc1ncccc1C(C)C 62a_200010382935_100000233755 [0,2,0,0,0,0|1,1,0]=4 1694 B14R1.903 COCCSc1nccnc1N(C)C 62a_100000233755_100000703087 [0,2,0,0,0,0|1,1,0]=4 1695 B14R1.903 COCSCc1ncccc1C(C)C 62a_100000766300_200134614246 [0,2,0,0,0,0|1,1,0]=4 1696 B14R1.903 COCSCc1ncccc1C(C)C 62a_200134614246_100000766300 [0,2,0,0,0,0|1,1,0]=4 1697 B14R1.903 CSCCNc1nccnc1N(C)C 27a_100020590264_100000703087 [0,2,0,0,0,0|2,0,0]=4 1698 B14R1.903 CSCCOc1ccccc1C(C)C 34a_100000211617_100000212216 [0,2,0,0,0,0|2,0,0]=4 1699 B14R1.903 CSCCOc1ccccc1C(C)C 7a_100000211617_100000212216 [0,2,0,0,0,0|2,0,0]=4 1700 B14R1.903 CSCCOc1cccnc1C(C)C 34a_100012183336_100000212216 [0,2,0,0,0,0|1,0,0]=3 1701 B14R1.903 CSCCOc1cccnc1C(C)C 7a_100012183336_100000212216 [0,2,0,0,0,0|1,0,0]=3 1702 B14R1.903 CSCCSc1ncccc1C(C)C 62a_100000212216_200010382935 [0,2,0,0,0,0|1,1,0]=4 1703 B14R1.903 CSCCSc1ncccc1C(C)C 62a_200010382935_100000751147 [0,2,0,0,0,0|1,1,0]=4 1704 B14R1.903 CSCCSc1nccnc1N(C)C 62a_100000212216_100000703087 [0,2,0,0,0,0|1,1,0]=4 1705 B14R1.903 CSCOCc1ncccc1C(C)C 34a_200009878718_100011218213 [0,2,0,0,0,0|1,0,0]=3 1706 B14R1.903 CSCSCc1ncccc1C(C)C 62a_100011218213_200134614246 [0,2,0,0,0,0|1,1,0]=4 1707 B14R1.903 CSCSCc1ncccc1C(C)C 62a_200134614246_100011218213 [0,2,0,0,0,0|1,1,0]=4 1708 B14R1.3302 C#CC(C)Nc1nccnc1N(C)C 27a_100000707721_100000703087 [0,2,0,0,0,0|2,0,0]=4 1709 B14R1.3302 C#CC(C)Oc1ccccc1C(C)C 34a_100000211617_200000035995 [0,2,0,0,0,0|2,0,0]=4 1710 B14R1.3302 C#CC(C)Oc1cccnc1C(C)C 34a_100012183336_200000035995 [0,2,0,0,0,0|1,0,0]=3 1711 B14R1.3302 C#CC(C)Sc1ncccc1C(C)C 62a_200000035995_200010382935 [0,2,0,0,0,0|1,1,0]=4 1712 B14R1.3302 C#CC(C)Sc1nccnc1N(C)C 62a_200000035995_100000703087 [0,2,0,0,0,0|1,1,0]=4 1713 B14R1.3302 C=CC(C)Sc1ncccc1C(C)C 62a_100011215867_200010382935 [0,2,0,0,0,0|1,1,0]=4 1714 B14R1.3302 C=CC(C)Sc1nccnc1N(C)C 62a_100011215867_100000703087 [0,2,0,0,0,0|1,1,0]=4 1715 B14R1.3302 CC(C#N)Oc1ccccc1C(C)C 7a_100000211617_100000703298 [0,2,0,0,0,0|2,0,0]=4 1716 B14R1.3302 CC(C#N)Oc1cccnc1C(C)C 7a_100012183336_100000703298 [0,2,0,0,0,0|1,0,0]=3 1717 B14R1.3302 CC(C#N)Sc1ncccc1C(C)C 62a_100000703298_200010382935 [0,2,0,0,0,0|1,1,0]=4 1718 B14R1.3302 CC(C#N)Sc1ncccc1C(C)C 62a_200010382935_100000703298 [0,2,0,0,0,0|1,1,0]=4 1719 B14R1.3302 CC(C#N)Sc1nccnc1N(C)C 62a_100000703298_100000703087 [0,2,0,0,0,0|1,1,0]=4 1720 B14R1.3302 CC(C)c1cccnc1S[C@H](C)CO 62a_100016084084_200010382935 [0,2,0,0,0,0|1,1,0]=4 1721 B14R1.3302 CC(C)c1cccnc1S[C@H](C)CO 62a_200010382935_100016084084 [0,2,0,0,0,0|1,1,0]=4 1722 B14R1.3302 CC(CO)Oc1ccccc1C(C)C 34a_100000211617_100012180447 [0,2,0,0,0,0|2,0,0]=4 1723 B14R1.3302 CC(CO)Oc1ccccc1C(C)C 7a_100000211617_100012180447 [0,2,0,0,0,0|2,0,0]=4 1724 B14R1.3302 CC(CO)Oc1cccnc1C(C)C 34a_100012183336_100012180447 [0,2,0,0,0,0|1,0,0]=3 1725 B14R1.3302 CC(CO)Oc1cccnc1C(C)C 7a_100012183336_100012180447 [0,2,0,0,0,0|1,0,0]=3 1726 B14R1.3302 CC(CO)Sc1ncccc1C(C)C 62a_100012180447_200010382935 [0,2,0,0,0,0|1,1,0]=4 1727 B14R1.3302 CC(CO)Sc1nccnc1N(C)C 62a_100012180447_100000703087 [0,2,0,0,0,0|1,1,0]=4 1728 B14R1.3302 CCC(=O)Cc1ncccc1C(C)C 1458a_100000210414_200134614246 [0,2,0,0,0,0|2,0,0]=4 1729 B14R1.3302 CCC(C)Oc1ccccc1C(C)C 34a_100000211617_100011215416 [0,2,0,0,0,0|2,0,0]=4 1730 B14R1.3302 CCC(C)Oc1ccccc1C(C)C 7a_100000211617_100000758301 [0,2,0,0,0,0|2,0,0]=4 1731 B14R1.3302 CCC(C)Oc1cccnc1C(C)C 34a_100012183336_100011215416 [0,2,0,0,0,0|1,0,0]=3 1732 B14R1.3302 CCC(C)Oc1cccnc1C(C)C 7a_100012183336_100000758301 [0,2,0,0,0,0|1,0,0]=3 1733 B14R1.3302 CCC(C)Sc1ncccc1C(C)C 62a_100000758301_200010382935 [0,2,0,0,0,0|1,1,0]=4 1734 B14R1.3302 CCC(C)Sc1ncccc1C(C)C 62a_200010382935_100000758301 [0,2,0,0,0,0|1,1,0]=4 1735 B14R1.3302 CCC(C)Sc1nccnc1N(C)C 62a_100000758301_100000703087 [0,2,0,0,0,0|1,1,0]=4 1736 B14R1.3302 CCN(C)Cc1ncccc1C(C)C 2230a_100000225621_200134614246 [0,2,0,0,0,0|2,0,0]=4 1737 B14R1.3302 CCN(C)Cc1ncccc1C(C)C 269982a_100000225621_200134614246 [0,2,0,0,0,0|2,0,0]=4 1738 B14R1.3302 COC(C)Sc1ncccc1C(C)C 62a_100009879195_200010382935 [0,2,0,0,0,0|1,1,0]=4 1739 B14R1.3302 COC(C)Sc1ncccc1C(C)C 62a_200010382935_100009879195 [0,2,0,0,0,0|1,1,0]=4 1740 B14R1.3302 COC(C)Sc1nccnc1N(C)C 62a_100009879195_100000703087 [0,2,0,0,0,0|1,1,0]=4 1741 B14R1.3302 C[C@H](CF)Nc1nccnc1N(C)C 27a_100102880703_100000703087 [0,2,0,0,0,0|2,0,0]=4 1742 B14R1.3302 C[C@H](CO)Nc1nccnc1N(C)C 27a_100000737577_100000703087 [0,2,0,0,0,0|2,0,0]=4 1743 B14R1.3302 C[C@H](CO)Sc1nccnc1N(C)C 62a_100016084084_100000703087 [0,2,0,0,0,0|1,1,0]=4 1744 B14R1.4522 C=C(C)CNc1nccnc1N(C)C 27a_100000765925_100000703087 [0,2,0,0,0,0|2,0,0]=4 1745 B14R1.4522 C=C(C)COc1ccccc1C(C)C 34a_100000211617_100000748629 [0,2,0,0,0,0|2,0,0]=4 1746 B14R1.4522 C=C(C)COc1ccccc1C(C)C 7a_100000211617_100000748629 [0,2,0,0,0,0|2,0,0]=4 1747 B14R1.4522 C=C(C)COc1cccnc1C(C)C 34a_100012183336_100000748629 [0,2,0,0,0,0|1,0,0]=3 1748 B14R1.4522 C=C(C)COc1cccnc1C(C)C 7a_100012183336_100000748629 [0,2,0,0,0,0|1,0,0]=3 1749 B14R1.4522 C=C(C)CSc1ncccc1C(C)C 62a_100000748629_200010382935 [0,2,0,0,0,0|1,1,0]=4 1750 B14R1.4522 C=C(C)CSc1ncccc1C(C)C 62a_200010382935_100000211660 [0,2,0,0,0,0|1,1,0]=4 1751 B14R1.4522 C=C(C)CSc1nccnc1N(C)C 62a_100000748629_100000703087 [0,2,0,0,0,0|1,1,0]=4 1752 B14R1.4522 C=C(F)COc1cccnc1C(C)C 34a_100012183336_100009893438 [0,2,0,0,0,0|1,0,1]=4 1753 B14R1.4522 C=C(F)COc1cccnc1C(C)C 7a_100012183336_100000042424 [0,2,0,0,0,0|1,0,1]=4 1754 B14R1.4522 CC(=O)COc1ccccc1C(C)C 1458a_100000183894_200000210301 [0,2,0,0,0,0|2,0,0]=4 1755 B14R1.4522 CC(C)C=Cc1ncccc1C(C)C 271570a_100016257149_200010382935 [0,2,0,0,0,0|2,0,0]=4 1756 B14R1.4522 CC(C)C=Cc1nccnc1N(C)C 271570a_100016257149_100000703087 [0,2,0,0,0,0|2,0,0]=4 1757 B14R1.4522 CC(C)CNc1nccnc1N(C)C 27a_100000210953_100000703087 [0,2,0,0,0,0|2,0,0]=4 1758 B14R1.4522 CC(C)COc1ccccc1C(C)C 34a_100000211617_100000210624 [0,2,0,0,0,0|2,0,0]=4 1759 B14R1.4522 CC(C)COc1ccccc1C(C)C 7a_100000211617_100000210760 [0,2,0,0,0,0|2,0,0]=4 1760 B14R1.4522 CC(C)COc1cccnc1C(C)C 34a_100012183336_100000210624 [0,2,0,0,0,0|1,0,0]=3 1761 B14R1.4522 CC(C)COc1cccnc1C(C)C 7a_100012183336_100000210760 [0,2,0,0,0,0|1,0,0]=3 1762 B14R1.4522 CC(C)CSc1ncccc1C(C)C 62a_100000210624_200010382935 [0,2,0,0,0,0|1,1,0]=4 1763 B14R1.4522 CC(C)CSc1ncccc1C(C)C 62a_200010382935_100000210760 [0,2,0,0,0,0|1,1,0]=4 1764 B14R1.4522 CC(C)CSc1nccnc1N(C)C 62a_100000210624_100000703087 [0,2,0,0,0,0|1,1,0]=4 1765 B14R1.4522 CC(C)NCc1ncccc1C(C)C 2230a_100138425928_200134614246 [0,2,0,0,0,0|2,0,0]=4 1766 B14R1.4522 CC(C)NCc1ncccc1C(C)C 34a_100138425928_200134614246 [0,2,0,0,0,0|2,0,0]=4 1767 B14R1.4522 CC(C)OCc1ncccc1C(C)C 34a_100000212225_200134614246 [0,2,0,0,0,0|1,0,0]=3 1768 B14R1.4522 CC(C)OCc1ncccc1C(C)C 34a_200009878718_100000210206 [0,2,0,0,0,0|1,0,0]=3 1769 B14R1.4522 CC(C)SCc1ncccc1C(C)C 62a_100000210206_200134614246 [0,2,0,0,0,0|1,1,0]=4 1770 B14R1.4522 CC(C)SCc1ncccc1C(C)C 62a_200134614246_100000210206 [0,2,0,0,0,0|1,1,0]=4 1771 B14R1.4522 CC(C)c1ccccc1OCC(=O)[13CH3] 1458a_100000183894_200025704644 [0,2,0,0,0,0|2,0,0]=4 1772 B14R1.4522 CC(C)c1ccccc1OCC(F)F 34a_100000211617_100011934356 [0,2,0,0,0,0|2,0,0]=4 1773 B14R1.4522 CC(C)c1ccccc1OCC(F)F 7a_100000211617_100011934356 [0,2,0,0,0,0|2,0,0]=4 1774 B14R1.4522 CC(C)c1ccccc1OC[C@@H](C)O 34a_100000211617_100009817552 [0,2,0,0,0,0|2,0,0]=4 1775 B14R1.4522 CC(C)c1ccccc1OC[C@@H](C)O 7a_100000211617_100009817552 [0,2,0,0,0,0|2,0,0]=4 1776 B14R1.4522 CC(C)c1cccnc1SCC(F)F 62a_100011934356_200010382935 [0,2,0,0,0,0|1,1,0]=4 1777 B14R1.4522 CC(C)c1cccnc1SCC(F)F 62a_200010382935_100011934356 [0,2,0,0,0,0|1,1,0]=4 1778 B14R1.4522 CC(C)c1cccnc1SC[C@@H](C)O 62a_100009817552_200010382935 [0,2,0,0,0,0|1,1,0]=4 1779 B14R1.4522 CC(C)c1cccnc1SC[C@@H](C)O 62a_200010382935_100009817552 [0,2,0,0,0,0|1,1,0]=4 1780 B14R1.4522 CC(C)c1ncccc1OCC(=O)N 34a_100012183336_100000187820 [0,2,0,0,0,0|1,0,1]=4 1781 B14R1.4522 CC(C)c1ncccc1OCC(=O)N 7a_100012183336_100000187820 [0,2,0,0,0,0|1,0,1]=4 1782 B14R1.4522 CC(C)c1ncccc1OCC(=O)[O-] 34a_100012183336_100020667443 [0,2,0,0,0,0|1,0,1]=4 1783 B14R1.4522 CC(C)c1ncccc1OCC(F)F 34a_100012183336_100011934356 [0,2,0,0,0,0|1,0,0]=3 1784 B14R1.4522 CC(C)c1ncccc1OCC(F)F 7a_100012183336_100011934356 [0,2,0,0,0,0|1,0,0]=3 1785 B14R1.4522 CC(C)c1ncccc1OC[C@@H](C)O 34a_100012183336_100009817552 [0,2,0,0,0,0|1,0,0]=3 1786 B14R1.4522 CC(C)c1ncccc1OC[C@@H](C)O 7a_100012183336_100009817552 [0,2,0,0,0,0|1,0,0]=3 1787 B14R1.4522 CC(C)c1ncccc1OC[N+](=O)[O-] 34a_100012183336_100000761209 [0,2,0,0,0,0|2,0,0]=4 1788 B14R1.4522 CC(O)C=Cc1ncccc1C(C)C 271570a_200011019289_200010382935 [0,2,0,0,0,0|2,0,0]=4 1789 B14R1.4522 CC(O)C=Cc1nccnc1N(C)C 271570a_200011019289_100000703087 [0,2,0,0,0,0|2,0,0]=4 1790 B14R1.4522 CC(O)CNc1nccnc1N(C)C 27a_100000210904_100000703087 [0,2,0,0,0,0|2,0,0]=4 1791 B14R1.4522 CC(O)COc1ccccc1C(C)C 34a_100000211617_100011218427 [0,2,0,0,0,0|2,0,0]=4 1792 B14R1.4522 CC(O)COc1ccccc1C(C)C 7a_100000211617_100011218427 [0,2,0,0,0,0|2,0,0]=4 1793 B14R1.4522 CC(O)COc1cccnc1C(C)C 34a_100012183336_100011218427 [0,2,0,0,0,0|1,0,0]=3 1794 B14R1.4522 CC(O)COc1cccnc1C(C)C 7a_100012183336_100011218427 [0,2,0,0,0,0|1,0,0]=3 1795 B14R1.4522 CC(O)CSc1ncccc1C(C)C 62a_100011218427_200010382935 [0,2,0,0,0,0|1,1,0]=4 1796 B14R1.4522 CC(O)CSc1ncccc1C(C)C 62a_200010382935_100011218427 [0,2,0,0,0,0|1,1,0]=4 1797 B14R1.4522 CC(O)CSc1nccnc1N(C)C 62a_100011218427_100000703087 [0,2,0,0,0,0|1,1,0]=4 1798 B14R1.4522 CN(C)c1nccnc1NCC(F)F 27a_100000765723_100000703087 [0,2,0,0,0,0|2,0,0]=4 1799 B14R1.4522 CN(C)c1nccnc1SCC(F)F 62a_100011934356_100000703087 [0,2,0,0,0,0|1,1,0]=4 1800 B14R1.4522 C[C@@H](O)CSc1nccnc1N(C)C 62a_100009817552_100000703087 [0,2,0,0,0,0|1,1,0]=4 1801 B14R1.6312 CC(C)c1ccccc1OC(C)(C)C 34a_100000211617_100000210625 [0,2,0,0,0,0|2,0,0]=4 1802 B14R1.6312 CC(C)c1cccnc1SC(C)(C)C 62a_100000211941_200010382935 [0,2,0,0,0,0|1,1,0]=4 1803 B14R1.6312 CC(C)c1cccnc1SC(C)(C)C 62a_200010382935_100000211941 [0,2,0,0,0,0|1,1,0]=4 1804 B14R1.6312 CC(C)c1ncccc1OC(C)(C)C 34a_100012183336_100000210625 [0,2,0,0,0,0|1,0,0]=3 1805 B14R1.6312 CC(C)c1ncccc1OC(F)(F)F 34a_100012183336_200103152311 [0,2,0,0,0,0|2,0,0]=4 1806 B14R1.6312 CC(C)c1ncccc1OC(F)(F)F 7a_100012183336_200000243211 [0,2,0,0,0,0|2,0,0]=4 1807 B14R1.6312 CN(C)c1nccnc1SC(C)(C)C 62a_100000211941_100000703087 [0,2,0,0,0,0|1,1,0]=4 1808 B14R1.5565 CCOc1cccc(c1C(C)C)C#N 34a_200009867358_100000210202 [0,2,0,0,0,0|2,0,0]=4 1809 B14R1.5565 CCOc1cccc(c1C(C)C)C#N 7a_200009867358_100000210202 [0,2,0,0,0,0|2,0,0]=4 1810 B12R2.2048 CCc1ncccc1C2CC2 271570a_100011220607_100009877225 [1,0,0,1,0,0|2,0,0]=4 1811 B12R2.2048 CCc1nccnc1C2CC2 271570a_100011220607_100011995844 [1,0,0,1,0,0|1,0,0]=3 1812 B12R2.2048 CNc1nccnc1C2CC2 271570a_100011220607_100011529439 [1,0,0,1,0,0|2,0,0]=4 1813 B12R2.2048 COc1nccnc1C2CC2 271570a_100011220607_100000749998 [1,0,0,1,0,0|2,0,0]=4 1814 B12R2.2048 NCc1nccnc1C2CC2 271570a_100011220607_100000729963 [1,0,0,1,0,0|2,0,0]=4 1815 B12R2.2048 OCc1nccnc1C2CC2 271570a_100011220607_100000057004 [1,0,0,1,0,0|2,0,0]=4 1816 B12R2.1356 CC(C)n1ccnc1C2CC2 271570a_100011220607_100009820211 [0,0,0,1,1,0|2,0,0]=4 1817 B12R2.1356 CC(C)n1nccc1C2CC2 271570a_100011220607_100010264481 [0,0,0,1,1,0|2,0,0]=4 1818 B12R2.1356 CC(C)n1ncnc1C2CC2 271570a_100011220607_100009989917 [0,0,0,1,1,0|2,0,0]=4 1819 B12R2.2274 CCSc1c[nH]nc1C2CC2 62a_100000210202_100011471633 [0,0,0,1,1,0|1,1,0]=4 1820 B12R2.2274 CCSc1c[nH]nc1C2CC2 62a_100011471633_100000210202 [0,0,0,1,1,0|1,1,0]=4 1821 B12R2.2274 CCSc1sccc1C2CC2 62a_100000210202_100010071141 [0,0,0,1,1,0|1,1,0]=4 1822 B12R2.2274 CCSc1sccc1C2CC2 62a_100010071141_100000210202 [0,0,0,1,1,0|1,1,0]=4 1823 B14R2.3102 CCOc1ccccc1NC2CC2 34a_100000211218_100000211595 [0,0,0,1,0,1|2,0,0]=4 1824 B14R2.3102 CCOc1ccccc1OC2CC2 34a_100000211404_100000211595 [0,0,0,1,0,1|2,0,0]=4 1825 B14R2.3102 CCOc1ccccc1SC2CC2 62a_100000230754_100000211595 [0,0,0,1,0,1|2,0,0]=4 1826 B14R2.3102 CCOc1cccnc1SC2CC2 62a_100011597540_100000211595 [0,0,0,1,0,1|1,0,0]=3 1827 B14R2.3102 CCOc1ncccc1OC2CC2 34a_100011998697_100000211595 [0,0,0,1,0,1|1,0,0]=3 1828 B14R2.3102 CCOc1ncccc1SC2CC2 62a_100011465154_100000211595 [0,0,0,1,0,1|1,0,0]=3 1829 B14R2.3102 CCOc1nccnc1NC2CC2 27a_100000212008_200010128176 [0,0,0,1,0,1|0,0,0]=2 1830 B14R2.3102 CCOc1nccnc1SC2CC2 62a_200010128176_100000211595 [0,0,0,1,0,1|0,0,0]=2 1831 B14R2.9440 CC(C)Nc1cccc2c1OCC2 2230a_100000102157_100000210206 [0,0,0,1,0,1|2,0,0]=4 1832 B14R2.9440 CC(C)Nc1cccc2c1OCC2 34a_100000102157_100000210206 [0,0,0,1,0,1|2,0,0]=4 1833 B14R2.9440 CC(C)Sc1cccc2c1OCC2 62a_100000210206_100009818991 [0,0,0,1,0,1|2,0,0]=4 1834 B14R2.9440 CC(C)Sc1cccc2c1OCC2 62a_100009818991_100000210206 [0,0,0,1,0,1|2,0,0]=4 1835 B14R2.9577 CC(C)Oc1ncccc1C2CC2 271570a_100011220607_200011465186 [0,0,0,1,0,1|2,0,0]=4 1836 B14R2.9577 CC(C)Sc1ncccc1C2CC2 62a_100000210206_100009851976 [0,0,0,1,0,1|2,0,0]=4 1837 B14R2.9577 CC(C)Sc1ncccc1C2CC2 62a_200009850273_100000210206 [0,0,0,1,0,1|2,0,0]=4 1838 B14R2.265 CCOc1ccc(cc1C2CC2)C 271570a_100011220607_200000230997 [0,1,0,1,0,0|2,0,0]=4 1839 B14R2.265 CCOc1ccc(cc1C2CC2)F 271570a_100011220607_100000171695 [0,1,0,1,0,0|2,0,0]=4 1840 B14R2.265 CCOc1ncc(cc1C2CC2)Br 271570a_100011220607_200010177599 [0,1,0,1,0,0|1,0,0]=3 1841 B14R2.4684 Cc1cnc(c(n1)C2CC2)C(C)C 271570a_100011220607_100015629263 [0,1,0,1,0,0|1,0,0]=3 1842 B14R2.7555 CCOc1cc(ccc1C2CC2)C 271570a_100011220607_200010713166 [0,1,0,1,0,0|2,0,0]=4 1843 B14R2.7555 CCOc1cc(ccc1C2CC2)F 271570a_100011220607_200012340411 [0,1,0,1,0,0|2,0,0]=4 1844 B14R2.7555 CCOc1cc(ccc1C2CC2)N 271570a_100011220607_200016990551 [0,1,0,1,0,0|2,0,0]=4 1845 B14R2.15500 CC(C)(O)c1cccnc1C2CC2 271570a_100011220607_100010080783 [0,1,0,1,0,0|2,0,0]=4 1846 B14R2.15500 CC(C)(O)c1ncccc1C2CC2 271570a_100011220607_200010080787 [0,1,0,1,0,0|2,0,0]=4 1847 B14R2.2014 CNC1CCCOc2c1cccc2 269862a_106832991636_100000750279 [0,1,0,1,0,0|2,0,0]=4 1848 B14R2.6558 CCOc1nccnc1N2CCC2 27a_100000754969_200010128176 [0,1,0,1,0,0|1,0,0]=3 1849 B14R2.10655 COC(=O)c1nccnc1C2CC2 271570a_100011220607_100000688410 [0,1,0,1,0,0|2,0,0]=4 1850 B14R2.10655 CO[C@@H](C)c1ncccc1C2CC2 271570a_100011220607_106256553109 [0,1,0,1,0,0|2,0,0]=4 1851 B14R2.10782 CNC(C)c1cccc2c1OCC2 269862a_106832991636_100012186135 [0,1,0,1,0,0|2,0,0]=4 1852 B14R2.9532 CN(C)c1nccnc1N2CCC2 27a_100000754969_100000703087 [0,1,0,1,0,0|2,0,0]=4 1853 B14R2.868 CCCCc1ncccc1C2CC2 271570a_100020621405_100009851976 [0,1,0,1,0,0|2,0,0]=4 1854 B14R2.868 CCCOc1ccccc1C2CC2 271570a_100011220607_100000174042 [0,1,0,1,0,0|2,0,0]=4 1855 B14R2.868 CCCOc1ncccc1C2CC2 271570a_100011220607_200011465209 [0,1,0,1,0,0|1,0,0]=3 1856 B14R2.868 CCCSc1ncccc1C2CC2 62a_100000210303_100009851976 [0,1,0,1,0,0|1,1,0]=4 1857 B14R2.868 CCCSc1ncccc1C2CC2 62a_200009850273_100000210303 [0,1,0,1,0,0|1,1,0]=4 1858 B14R2.868 CCOCc1ccccc1C2CC2 271570a_100011220607_200011493690 [0,1,0,1,0,0|2,0,0]=4 1859 B14R2.868 CCOCc1ccccc1C2CC2 34a_100012675891_100000210202 [0,1,0,1,0,0|2,0,0]=4 1860 B14R2.868 CCOCc1ccccc1C2CC2 7a_100012675891_100000210202 [0,1,0,1,0,0|2,0,0]=4 1861 B14R2.868 COCOc1ccccc1C2CC2 271570a_100011220607_200000230759 [0,1,0,1,0,0|2,0,0]=4 1862 B14R2.868 COCOc1cccnc1C2CC2 271570a_100011220607_100011935308 [0,1,0,1,0,0|1,0,0]=3 1863 B14R2.868 COCSc1ncccc1C2CC2 62a_100000766300_100009851976 [0,1,0,1,0,0|1,1,0]=4 1864 B14R2.868 COCSc1ncccc1C2CC2 62a_200009850273_100000766300 [0,1,0,1,0,0|1,1,0]=4 1865 B14R2.868 CSCSc1ncccc1C2CC2 62a_100011218213_100009851976 [0,1,0,1,0,0|1,1,0]=4 1866 B14R2.868 CSCSc1ncccc1C2CC2 62a_200009850273_100011218213 [0,1,0,1,0,0|1,1,0]=4 1867 B14R2.868 FCCOc1cccnc1C2CC2 271570a_100011220607_100012814765 [0,1,0,1,0,0|1,0,0]=3 1868 B14R2.868 FCCSc1ncccc1C2CC2 62a_100011217306_100009851976 [0,1,0,1,0,0|1,1,0]=4 1869 B14R2.868 FCCSc1ncccc1C2CC2 62a_200009850273_100011217306 [0,1,0,1,0,0|1,1,0]=4 1870 B14R2.868 NCCOc1ccccc1C2CC2 271570a_100011220607_100000744007 [0,1,0,1,0,0|2,0,0]=4 1871 B14R2.868 OCCNc1ncccc1C2CC2 271570a_100011220607_200011464885 [0,1,0,1,0,0|2,0,0]=4 1872 B14R2.868 OCCNc1nccnc1C2CC2 271570a_100011220607_200011219046 [0,1,0,1,0,0|1,0,0]=3 1873 B14R2.868 OCCOc1ccccc1C2CC2 271570a_100011220607_100000230753 [0,1,0,1,0,0|2,0,0]=4 1874 B14R2.868 OCCSc1ncccc1C2CC2 62a_100000211926_100009851976 [0,1,0,1,0,0|1,1,0]=4 1875 B14R2.868 OCCSc1ncccc1C2CC2 62a_200009850273_100000211926 [0,1,0,1,0,0|1,1,0]=4 1876 B14R2.9513 CC(C)c1ccccc1OC2CC2 34a_100000211617_100000211595 [0,1,0,1,0,0|2,0,0]=4 1877 B14R2.9513 CC(C)c1cccnc1SC2CC2 62a_200010382935_100000211595 [0,1,0,1,0,0|1,1,0]=4 1878 B14R2.9513 CC(C)c1ncccc1OC2CC2 34a_100012183336_100000211595 [0,1,0,1,0,0|1,0,0]=3 1879 B14R2.9513 CN(C)c1nccnc1NC2CC2 27a_100000212008_100000703087 [0,1,0,1,0,0|2,0,0]=4 1880 B14R2.7070 CCOc1c(cccc1C2CC2)Br 34a_100010664954_100000210202 [0,1,0,1,0,0|2,0,0]=4 1881 B14R2.7070 CCOc1c(cccc1C2CC2)Br 7a_100010664954_100000210202 [0,1,0,1,0,0|2,0,0]=4 1882 B14R2.7070 CCOc1c(cccc1C2CC2)F 271570a_100011220607_100010232518 [0,1,0,1,0,0|2,0,0]=4 1883 B14R2.7070 CCOc1c(cccc1C2CC2)F 34a_100010673447_100000210202 [0,1,0,1,0,0|2,0,0]=4 1884 B14R2.7070 CCOc1c(cccc1C2CC2)F 7a_100010673447_100000210202 [0,1,0,1,0,0|2,0,0]=4 1885 B14R3.3044 c1cc2c(c(c1)C3CC3)OCC2 271570a_100011220607_100009818991 [0,0,0,2,0,0|2,0,0]=4 1886 B14R3.15321 c1cnc(c(c1)C2CC2)C3CC3 271570a_100011220607_100009851976 [0,0,0,2,0,0|2,0,0]=4 1887 B10R1.5 CCNc1ncnn1CC 27a_100015525214_100009879425 [1,0,0,0,1,0|2,0,0]=4 1888 B10R1.5 CCOc1ccnn1CC 34a_100012181048_100000210202 [1,0,0,0,1,0|1,0,0]=3 1889 B10R1.5 CCSc1ccnn1CC 62a_100000210202_100000728327 [1,0,0,0,1,0|1,1,0]=4 1890 B10R1.5 CCSc1ccnn1CC 62a_100000728327_100000210202 [1,0,0,0,1,0|1,1,0]=4 1891 B10R1.5 CCSc1nccn1CC 62a_100000210202_100011617267 [1,0,0,0,1,0|1,1,0]=4 1892 B10R1.5 CCSc1nccn1CC 62a_100011617267_100000210202 [1,0,0,0,1,0|1,1,0]=4 1893 B10R1.5 CCSc1ncnn1CC 62a_100000210202_100009879425 [1,0,0,0,1,0|1,1,0]=4 1894 B10R1.5 CCSc1ncnn1CC 62a_100009879425_100000210202 [1,0,0,0,1,0|1,1,0]=4 1895 B10R1.5 CCSc1sccc1CC 62a_100000210202_200009875468 [1,0,0,0,1,0|1,1,0]=4 1896 B10R1.5 CCSc1sccc1CC 62a_200009875468_100000210202 [1,0,0,0,1,0|1,1,0]=4 1897 B10R1.5 CCn1nccc1OCF 34a_100012181048_100015361967 [1,0,0,0,1,0|2,0,0]=4 1898 B10R1.39 CC(C)n1ccnc1S[13CH3] 62a_100009820211_200025704644 [1,0,0,0,1,0|1,1,0]=4 1899 B10R1.39 CC(C)n1ccnc1S[13CH3] 62a_200025704644_100009820211 [1,0,0,0,1,0|1,1,0]=4 1900 B10R1.39 CC(C)n1nccc1S[13CH3] 62a_100010264481_200025704644 [1,0,0,0,1,0|1,1,0]=4 1901 B10R1.39 CC(C)n1nccc1S[13CH3] 62a_200025704644_100010264481 [1,0,0,0,1,0|1,1,0]=4 1902 B10R1.39 CC(C)n1ncnc1S[13CH3] 62a_100009989917_200025704644 [1,0,0,0,1,0|1,1,0]=4 1903 B10R1.39 CC(C)n1ncnc1S[13CH3] 62a_200025704644_100009989917 [1,0,0,0,1,0|1,1,0]=4 1904 B10R1.39 CCn1ncnc1N(C)C 27a_100102631434_100009879425 [1,0,0,0,1,0|2,0,0]=4 1905 B10R1.39 CNc1ccnn1C(C)C 27a_100102657272_100010264481 [1,0,0,0,1,0|2,0,0]=4 1906 B10R1.39 CNc1ncnn1C(C)C 27a_100102657272_100009989917 [1,0,0,0,1,0|2,0,0]=4 1907 B10R1.39 CSc1ccnn1C(C)C 62a_100010264481_200000210301 [1,0,0,0,1,0|1,1,0]=4 1908 B10R1.39 CSc1ccnn1C(C)C 62a_200000210301_100010264481 [1,0,0,0,1,0|1,1,0]=4 1909 B10R1.39 CSc1nccn1C(C)C 62a_100009820211_200000210301 [1,0,0,0,1,0|1,1,0]=4 1910 B10R1.39 CSc1nccn1C(C)C 62a_200000210301_100009820211 [1,0,0,0,1,0|1,1,0]=4 1911 B10R1.39 CSc1ncnn1C(C)C 62a_100009989917_200000210301 [1,0,0,0,1,0|1,1,0]=4 1912 B10R1.39 CSc1ncnn1C(C)C 62a_200000210301_100009989917 [1,0,0,0,1,0|1,1,0]=4 1913 B12R1.279 C=C(C)c1cc(ccn1)OCC 271570a_100000694244_100011922638 [0,0,0,0,1,1|0,0,2]=4 1914 B12R1.279 C=C(C)c1cc(ncn1)OCC 271570a_100000694244_100000765465 [0,0,0,0,1,1|0,0,2]=4 1915 B12R1.279 C=C(C)c1ccnc(c1)OCC 271570a_100000694244_100009995528 [0,0,0,0,1,1|0,0,2]=4 1916 B12R1.279 C=C(C)c1nccc(n1)OCC 271570a_100000694244_100011649779 [0,0,0,0,1,1|0,0,2]=4 1917 B12R1.279 CC(C)c1cc(ccn1)SCF 62a_100010237922_100015361967 [0,0,0,0,1,1|1,1,0]=4 1918 B12R1.279 CC(C)c1cc(ccn1)SCF 62a_100015361967_100010237922 [0,0,0,0,1,1|1,1,0]=4 1919 B12R1.279 CC(C)c1cccc(c1)OCF 34a_100000211816_100015361967 [0,0,0,0,1,1|2,0,0]=4 1920 B12R1.279 CC(C)c1cccc(c1)OCF 7a_100000211816_100015361967 [0,0,0,0,1,1|2,0,0]=4 1921 B12R1.279 CC(C)c1ccnc(c1)SCF 62a_100010237925_100015361967 [0,0,0,0,1,1|1,1,0]=4 1922 B12R1.279 CC(C)c1ccnc(c1)SCF 62a_100015361967_100010237925 [0,0,0,0,1,1|1,1,0]=4 1923 B12R1.279 CC(C)c1ccnc(n1)SCF 62a_100011935126_100015361967 [0,0,0,0,1,1|1,1,0]=4 1924 B12R1.279 CC(C)c1ccnc(n1)SCF 62a_100015361967_100011935126 [0,0,0,0,1,1|1,1,0]=4 1925 B12R1.279 CC(C)c1nccc(n1)SCF 62a_100000752938_100015361967 [0,0,0,0,1,1|1,1,0]=4 1926 B12R1.279 CC(C)c1nccc(n1)SCF 62a_100015361967_100000752938 [0,0,0,0,1,1|1,1,0]=4 1927 B12R1.279 CC=Cc1cc(ccn1)C(C)C 271570a_100016259895_100010237925 [0,0,0,0,1,1|1,0,1]=4 1928 B12R1.279 CC=Cc1ccnc(c1)C(C)C 271570a_100016259895_100010237922 [0,0,0,0,1,1|1,0,1]=4 1929 B12R1.279 CC=Cc1ccnc(n1)C(C)C 271570a_100016259895_100000752938 [0,0,0,0,1,1|1,0,1]=4 1930 B12R1.279 CC=Cc1nccc(n1)C(C)C 271570a_100016259895_100011935126 [0,0,0,0,1,1|1,0,1]=4 1931 B12R1.279 CCNc1cc(ccn1)C(C)C 27a_100015525214_100010237925 [0,0,0,0,1,1|1,0,0]=3 1932 B12R1.279 CCNc1cc(ncn1)N(C)C 27a_100015525214_100011443277 [0,0,0,0,1,1|2,0,0]=4 1933 B12R1.279 CCNc1cc(ncn1)N(C)C 27a_100102631434_200000242512 [0,0,0,0,1,1|2,0,0]=4 1934 B12R1.279 CCNc1cccc(c1)C(C)C 2230a_100000211879_100000210202 [0,0,0,0,1,1|2,0,0]=4 1935 B12R1.279 CCNc1cccc(c1)C(C)C 34a_100000211879_100000210202 [0,0,0,0,1,1|2,0,0]=4 1936 B12R1.279 CCNc1cccc(c1)C(C)C 7a_100000211879_100000210202 [0,0,0,0,1,1|2,0,0]=4 1937 B12R1.279 CCNc1cccc(n1)C(C)C 27a_100015525214_100012318657 [0,0,0,0,1,1|2,0,0]=4 1938 B12R1.279 CCNc1ccnc(c1)C(C)C 27a_100015525214_100010237922 [0,0,0,0,1,1|1,0,0]=3 1939 B12R1.279 CCNc1ccnc(c1)C(C)O 27a_100015525214_100000144657 [0,0,0,0,1,1|2,0,0]=4 1940 B12R1.279 CCNc1ccnc(n1)C(C)C 27a_100015525214_100000752938 [0,0,0,0,1,1|1,0,0]=3 1941 B12R1.279 CCNc1ccnc(n1)N(C)C 27a_100015525214_100000757975 [0,0,0,0,1,1|2,0,0]=4 1942 B12R1.279 CCNc1ccnc(n1)N(C)C 27a_100102631434_100011649949 [0,0,0,0,1,1|2,0,0]=4 1943 B12R1.279 CCNc1nccc(n1)C(C)C 27a_100015525214_100011935126 [0,0,0,0,1,1|1,0,0]=3 1944 B12R1.279 CCNc1nccc(n1)N(C)C 27a_100015525214_100000688391 [0,0,0,0,1,1|2,0,0]=4 1945 B12R1.279 CCNc1nccc(n1)N(C)C 27a_100102631434_100012002086 [0,0,0,0,1,1|2,0,0]=4 1946 B12R1.279 CCOc1cc(ncn1)N(C)C 27a_100102631434_100000765465 [0,0,0,0,1,1|1,0,0]=3 1947 B12R1.279 CCOc1cccc(c1)C(C)C 34a_100000211816_100000210202 [0,0,0,0,1,1|1,0,0]=3 1948 B12R1.279 CCOc1cccc(c1)C(C)C 7a_100000211816_100000210202 [0,0,0,0,1,1|1,0,0]=3 1949 B12R1.279 CCOc1cccc(c1)C(C)N 34a_100000740644_100000210202 [0,0,0,0,1,1|2,0,0]=4 1950 B12R1.279 CCOc1cccc(c1)C(C)N 7a_100000740644_100000210202 [0,0,0,0,1,1|2,0,0]=4 1951 B12R1.279 CCOc1cccc(c1)C(C)O 34a_100000748013_100000210202 [0,0,0,0,1,1|2,0,0]=4 1952 B12R1.279 CCOc1cccc(c1)C(C)O 7a_100000748013_100000210202 [0,0,0,0,1,1|2,0,0]=4 1953 B12R1.279 CCOc1cccc(c1)N(C)C 34a_100000738785_100000210202 [0,0,0,0,1,1|2,0,0]=4 1954 B12R1.279 CCOc1ccnc(c1)N(C)C 27a_100102631434_100009995529 [0,0,0,0,1,1|1,0,0]=3 1955 B12R1.279 CCOc1ccnc(n1)N(C)C 27a_100102631434_100011649779 [0,0,0,0,1,1|1,0,0]=3 1956 B12R1.279 CCSc1cc(ccn1)C(C)C 62a_100000210202_100010237925 [0,0,0,0,1,1|0,1,0]=3 1957 B12R1.279 CCSc1cc(ccn1)C(C)C 62a_100010237925_100000210202 [0,0,0,0,1,1|0,1,0]=3 1958 B12R1.279 CCSc1cc(ccn1)N(C)C 62a_100000210202_100000766659 [0,0,0,0,1,1|1,1,0]=4 1959 B12R1.279 CCSc1cc(ccn1)N(C)C 62a_100000766659_100000210202 [0,0,0,0,1,1|1,1,0]=4 1960 B12R1.279 CCSc1cc(ncn1)N(C)C 62a_100000210202_100011443277 [0,0,0,0,1,1|1,1,0]=4 1961 B12R1.279 CCSc1cc(ncn1)N(C)C 62a_100011443277_100000210202 [0,0,0,0,1,1|1,1,0]=4 1962 B12R1.279 CCSc1cccc(c1)C(C)C 62a_100000210202_100011214899 [0,0,0,0,1,1|1,1,0]=4 1963 B12R1.279 CCSc1cccc(c1)C(C)C 62a_100011214899_100000210202 [0,0,0,0,1,1|1,1,0]=4 1964 B12R1.279 CCSc1cccc(n1)C(C)C 62a_100000210202_100012318657 [0,0,0,0,1,1|1,1,0]=4 1965 B12R1.279 CCSc1cccc(n1)C(C)C 62a_100012318657_100000210202 [0,0,0,0,1,1|1,1,0]=4 1966 B12R1.279 CCSc1ccnc(c1)C(C)C 62a_100000210202_100010237922 [0,0,0,0,1,1|0,1,0]=3 1967 B12R1.279 CCSc1ccnc(c1)C(C)C 62a_100010237922_100000210202 [0,0,0,0,1,1|0,1,0]=3 1968 B12R1.279 CCSc1ccnc(c1)C(C)O 62a_100000144657_100000210202 [0,0,0,0,1,1|1,1,0]=4 1969 B12R1.279 CCSc1ccnc(c1)C(C)O 62a_100000210202_100000144657 [0,0,0,0,1,1|1,1,0]=4 1970 B12R1.279 CCSc1ccnc(c1)N(C)C 62a_100000210202_100012361627 [0,0,0,0,1,1|1,1,0]=4 1971 B12R1.279 CCSc1ccnc(c1)N(C)C 62a_100012361627_100000210202 [0,0,0,0,1,1|1,1,0]=4 1972 B12R1.279 CCSc1ccnc(n1)C(C)C 62a_100000210202_100000752938 [0,0,0,0,1,1|0,1,0]=3 1973 B12R1.279 CCSc1ccnc(n1)C(C)C 62a_100000752938_100000210202 [0,0,0,0,1,1|0,1,0]=3 1974 B12R1.279 CCSc1ccnc(n1)N(C)C 62a_100000210202_100000757975 [0,0,0,0,1,1|1,1,0]=4 1975 B12R1.279 CCSc1ccnc(n1)N(C)C 62a_100000757975_100000210202 [0,0,0,0,1,1|1,1,0]=4 1976 B12R1.279 CCSc1nccc(n1)C(C)C 62a_100000210202_100011935126 [0,0,0,0,1,1|0,1,0]=3 1977 B12R1.279 CCSc1nccc(n1)C(C)C 62a_100011935126_100000210202 [0,0,0,0,1,1|0,1,0]=3 1978 B12R1.279 CCSc1nccc(n1)N(C)C 62a_100000210202_100000688391 [0,0,0,0,1,1|1,1,0]=4 1979 B12R1.279 CCSc1nccc(n1)N(C)C 62a_100000688391_100000210202 [0,0,0,0,1,1|1,1,0]=4 1980 B12R1.279 CNCc1ccnc(n1)C(C)C 270004a_106832991635_200011745019 [0,0,0,0,1,1|2,0,0]=4 1981 B14R1.482 C=C(C)CNc1nccnc1OCC 27a_100000765925_200010128176 [0,0,0,0,0,2|0,0,2]=4 1982 B14R1.482 C=C(C)CSc1nccnc1OCC 62a_100000748629_200010128176 [0,0,0,0,0,2|0,0,2]=4 1983 B14R1.482 C=C(C)CSc1nccnc1OCC 62a_200010128176_100000211660 [0,0,0,0,0,2|0,0,2]=4 1984 B14R1.482 CCOc1ccccc1C=CC(C)C 271570a_100016257149_100000230754 [0,0,0,0,0,2|2,0,0]=4 1985 B14R1.482 CCOc1ccccc1CNC(C)C 207a_100138425928_100000169843 [0,0,0,0,0,2|2,0,0]=4 1986 B14R1.482 CCOc1ccccc1COC(C)C 34a_100000708577_100000210206 [0,0,0,0,0,2|2,0,0]=4 1987 B14R1.482 CCOc1ccccc1COC(C)C 7a_100000708577_100000210206 [0,0,0,0,0,2|2,0,0]=4 1988 B14R1.482 CCOc1ccccc1NCC(C)C 34a_100000211218_100000210624 [0,0,0,0,0,2|2,0,0]=4 1989 B14R1.482 CCOc1ccccc1OCC(C)C 34a_100000211404_100000210624 [0,0,0,0,0,2|2,0,0]=4 1990 B14R1.482 CCOc1ccccc1OCC(C)C 7a_100000211404_100000210760 [0,0,0,0,0,2|2,0,0]=4 1991 B14R1.482 CCOc1ccccc1SCC(C)C 62a_100000210624_100000230754 [0,0,0,0,0,2|2,0,0]=4 1992 B14R1.482 CCOc1ccccc1SCC(C)C 62a_100000230754_100000210760 [0,0,0,0,0,2|2,0,0]=4 1993 B14R1.482 CCOc1cccnc1C=CC(C)C 271570a_100016257149_100011597540 [0,0,0,0,0,2|1,0,0]=3 1994 B14R1.482 CCOc1cccnc1C=CC(C)O 271570a_200011019289_100011597540 [0,0,0,0,0,2|2,0,0]=4 1995 B14R1.482 CCOc1cccnc1CNC(C)C 207a_100138425928_100009876934 [0,0,0,0,0,2|1,0,0]=3 1996 B14R1.482 CCOc1cccnc1SCC(C)C 62a_100000210624_100011597540 [0,0,0,0,0,2|1,0,0]=3 1997 B14R1.482 CCOc1cccnc1SCC(C)C 62a_100011597540_100000210760 [0,0,0,0,0,2|1,0,0]=3 1998 B14R1.482 CCOc1cccnc1SCC(C)O 62a_100011218427_100011597540 [0,0,0,0,0,2|2,0,0]=4 1999 B14R1.482 CCOc1cccnc1SCC(C)O 62a_100011597540_100011218427 [0,0,0,0,0,2|2,0,0]=4 2000 B14R1.482 CCOc1cccnc1SC[C@@H](C)O 62a_100009817552_100011597540 [0,0,0,0,0,2|2,0,0]=4 2001 B14R1.482 CCOc1cccnc1SC[C@@H](C)O 62a_100011597540_100009817552 [0,0,0,0,0,2|2,0,0]=4 2002 B14R1.482 CCOc1ncccc1C=CC(C)C 271570a_100016257149_100011465154 [0,0,0,0,0,2|1,0,0]=3 2003 B14R1.482 CCOc1ncccc1C=CC(C)O 271570a_200011019289_100011465154 [0,0,0,0,0,2|2,0,0]=4 2004 B14R1.482 CCOc1ncccc1CNC(C)C 207a_100138425928_100011290805 [0,0,0,0,0,2|1,0,0]=3 2005 B14R1.482 CCOc1ncccc1OCC(C)C 34a_100011998697_100000210624 [0,0,0,0,0,2|1,0,0]=3 2006 B14R1.482 CCOc1ncccc1OCC(C)O 34a_100011998697_100011218427 [0,0,0,0,0,2|2,0,0]=4 2007 B14R1.482 CCOc1ncccc1OC[C@@H](C)O 34a_100011998697_100009817552 [0,0,0,0,0,2|2,0,0]=4 2008 B14R1.482 CCOc1ncccc1SCC(C)C 62a_100000210624_100011465154 [0,0,0,0,0,2|1,0,0]=3 2009 B14R1.482 CCOc1ncccc1SCC(C)C 62a_100011465154_100000210760 [0,0,0,0,0,2|1,0,0]=3 2010 B14R1.482 CCOc1ncccc1SCC(C)O 62a_100011218427_100011465154 [0,0,0,0,0,2|2,0,0]=4 2011 B14R1.482 CCOc1ncccc1SCC(C)O 62a_100011465154_100011218427 [0,0,0,0,0,2|2,0,0]=4 2012 B14R1.482 CCOc1ncccc1SC[C@@H](C)O 62a_100009817552_100011465154 [0,0,0,0,0,2|2,0,0]=4 2013 B14R1.482 CCOc1ncccc1SC[C@@H](C)O 62a_100011465154_100009817552 [0,0,0,0,0,2|2,0,0]=4 2014 B14R1.482 CCOc1nccnc1C=CC(C)C 271570a_100016257149_200010128176 [0,0,0,0,0,2|0,0,0]=2 2015 B14R1.482 CCOc1nccnc1C=CC(C)O 271570a_200011019289_200010128176 [0,0,0,0,0,2|1,0,0]=3 2016 B14R1.482 CCOc1nccnc1NCC(C)C 27a_100000210953_200010128176 [0,0,0,0,0,2|0,0,0]=2 2017 B14R1.482 CCOc1nccnc1NCC(C)O 27a_100000210904_200010128176 [0,0,0,0,0,2|1,0,0]=3 2018 B14R1.482 CCOc1nccnc1NCC(F)F 27a_100000765723_200010128176 [0,0,0,0,0,2|2,0,0]=4 2019 B14R1.482 CCOc1nccnc1SCC(C)C 62a_100000210624_200010128176 [0,0,0,0,0,2|0,0,0]=2 2020 B14R1.482 CCOc1nccnc1SCC(C)C 62a_200010128176_100000210760 [0,0,0,0,0,2|0,0,0]=2 2021 B14R1.482 CCOc1nccnc1SCC(C)O 62a_100011218427_200010128176 [0,0,0,0,0,2|1,0,0]=3 2022 B14R1.482 CCOc1nccnc1SCC(C)O 62a_200010128176_100011218427 [0,0,0,0,0,2|1,0,0]=3 2023 B14R1.482 CCOc1nccnc1SCC(F)F 62a_100011934356_200010128176 [0,0,0,0,0,2|2,0,0]=4 2024 B14R1.482 CCOc1nccnc1SCC(F)F 62a_200010128176_100011934356 [0,0,0,0,0,2|2,0,0]=4 2025 B14R1.482 CCOc1nccnc1SC[C@@H](C)O 62a_100009817552_200010128176 [0,0,0,0,0,2|1,0,0]=3 2026 B14R1.482 CCOc1nccnc1SC[C@@H](C)O 62a_200010128176_100009817552 [0,0,0,0,0,2|1,0,0]=3